NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
26194 | 2kg6 | 16196 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 7} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 78 and name HN )) 3.300 1.400 1.400 peak 7 spectrum 1 weight 0.10000E+01 volume 0.14424E-02 ppm1 0.794 ppm2 8.267 CV 1 ASSI { 15} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 75 and name HA )) 2.700 2.700 3.300 peak 15 spectrum 1 weight 0.10000E+01 volume 0.12124E-02 ppm1 0.793 ppm2 3.894 CV 1 ASSI { 16} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 78 and name HA )) 2.600 0.800 0.800 peak 16 spectrum 1 weight 0.10000E+01 volume 0.26543E-02 ppm1 0.794 ppm2 3.742 CV 1 ASSI { 24} ( segid " " and resid 38 and name HD1%) ( segid " " and resid 30 and name HD% ) 3.200 1.300 1.300 peak 24 spectrum 1 weight 0.10000E+01 volume 0.11094E-02 ppm1 0.869 ppm2 7.309 CV 1 ASSI { 26} ( segid " " and resid 38 and name HD1%) ( segid " " and resid 35 and name HD% ) 2.700 0.900 0.900 peak 26 spectrum 1 weight 0.10000E+01 volume 0.24020E-02 ppm1 0.870 ppm2 7.113 CV 1 ASSI { 27} ( segid " " and resid 38 and name HD1%) ( segid " " and resid 40 and name HD% ) 3.200 1.200 1.200 peak 27 spectrum 1 weight 0.10000E+01 volume 0.25904E-02 ppm1 0.870 ppm2 6.964 CV 1 ASSI { 28} ( segid " " and resid 38 and name HD1%) ( segid " " and resid 40 and name HE% ) 3.200 1.300 1.300 peak 28 spectrum 1 weight 0.10000E+01 volume 0.14478E-02 ppm1 0.871 ppm2 6.750 CV 1 ASSI { 36} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 35 and name HA )) 2.600 0.800 0.800 peak 36 spectrum 1 weight 0.10000E+01 volume 0.34577E-02 ppm1 0.871 ppm2 4.367 CV 1 ASSI { 41} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 78 and name HA )) 3.100 1.200 1.200 peak 41 spectrum 1 weight 0.10000E+01 volume 0.19879E-02 ppm1 0.841 ppm2 3.743 CV 1 ASSI { 44} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 40 and name HB2 )) 3.200 1.300 1.300 peak 44 spectrum 1 weight 0.10000E+01 volume 0.12964E-02 ppm1 0.869 ppm2 2.798 CV 1 ASSI { 46} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 38 and name HB )) 2.400 0.700 0.700 peak 46 spectrum 1 weight 0.10000E+01 volume 0.65717E-02 ppm1 0.871 ppm2 2.452 CV 1 ASSI { 52} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 52 and name HB1 )) 3.100 1.200 1.200 peak 52 spectrum 1 weight 0.10000E+01 volume 0.16176E-02 ppm1 0.796 ppm2 2.207 CV 1 ASSI { 56} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 78 and name HG11)) 2.100 0.600 0.600 peak 56 spectrum 1 weight 0.10000E+01 volume 0.61498E-02 ppm1 0.794 ppm2 1.719 CV 1 ASSI { 58} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 53 and name HG2 )) 3.300 1.400 1.400 peak 58 spectrum 1 weight 0.10000E+01 volume 0.11944E-02 ppm1 0.841 ppm2 2.317 CV 1 ASSI { 65} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 38 and name HG11)) 2.100 0.600 0.600 peak 65 spectrum 1 weight 0.10000E+01 volume 0.72254E-02 ppm1 0.869 ppm2 1.818 CV 1 ASSI { 66} ( segid " " and resid 60 and name HD1%) ( segid " " and resid 81 and name HB% ) 3.000 1.100 1.100 peak 66 spectrum 1 weight 0.10000E+01 volume 0.26855E-02 ppm1 0.841 ppm2 1.630 CV 1 ASSI { 67} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 38 and name HG12)) 2.200 0.600 0.600 peak 67 spectrum 1 weight 0.10000E+01 volume 0.63630E-02 ppm1 0.867 ppm2 1.533 CV 1 ASSI { 68} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 60 and name HG11)) 2.300 0.700 0.700 peak 68 spectrum 1 weight 0.10000E+01 volume 0.62252E-02 ppm1 0.847 ppm2 1.497 CV 1 ASSI { 69} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 45 and name HG )) 3.900 1.900 1.900 peak 69 spectrum 1 weight 0.10000E+01 volume 0.13199E-02 ppm1 0.869 ppm2 1.378 CV 1 ASSI { 78} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 78 and name HG12)) 2.200 0.600 0.600 peak 78 spectrum 1 weight 0.10000E+01 volume 0.56902E-02 ppm1 0.793 ppm2 1.277 CV 1 ASSI { 85} ( segid " " and resid 78 and name HD1%) ( segid " " and resid 58 and name HG2%) 2.200 0.600 0.600 peak 85 spectrum 1 weight 0.10000E+01 volume 0.51225E-02 ppm1 0.795 ppm2 0.988 CV 1 ASSI { 89} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 60 and name HG12)) 2.100 0.500 0.500 peak 89 spectrum 1 weight 0.10000E+01 volume 0.12381E-01 ppm1 0.842 ppm2 1.104 CV 1 ASSI { 95} ( segid " " and resid 38 and name HD1%) ( segid " " and resid 38 and name HG2%) 2.100 0.600 0.600 peak 95 spectrum 1 weight 0.10000E+01 volume 0.10427E-01 ppm1 0.867 ppm2 1.062 CV 1 ASSI { 97} ( segid " " and resid 78 and name HD1%) ( segid " " and resid 5 and name HD1%) 2.500 2.500 3.500 peak 97 spectrum 1 weight 0.10000E+01 volume 0.21712E-02 ppm1 0.793 ppm2 0.603 CV 1 ASSI { 98} ( segid " " and resid 38 and name HD1%) ( segid " " and resid 26 and name HD1%) 2.600 0.900 0.900 peak 98 spectrum 1 weight 0.10000E+01 volume 0.30403E-02 ppm1 0.873 ppm2 0.685 CV 1 ASSI { 105} ( segid " " and resid 78 and name HG2%) ( segid " " and resid 5 and name HD1%) 2.300 0.700 0.700 peak 105 spectrum 1 weight 0.10000E+01 volume 0.48502E-02 ppm1 0.868 ppm2 0.619 CV 1 OR { 105} ( segid " " and resid 78 and name HG2%) ( segid " " and resid 5 and name HD2%) ASSI { 119} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 79 and name HB1 )) 5.000 3.200 1.000 peak 119 spectrum 1 weight 0.10000E+01 volume 0.29014E-03 ppm1 0.874 ppm2 3.076 CV 1 ASSI { 126} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 52 and name HB1 )) 3.100 1.200 1.200 peak 126 spectrum 1 weight 0.10000E+01 volume 0.64823E-03 ppm1 0.871 ppm2 2.218 CV 1 ASSI { 127} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 58 and name HB )) 3.700 1.700 1.700 peak 127 spectrum 1 weight 0.10000E+01 volume 0.87705E-03 ppm1 0.869 ppm2 2.137 CV 1 ASSI { 129} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 78 and name HB )) 2.200 0.600 0.600 peak 129 spectrum 1 weight 0.10000E+01 volume 0.58306E-02 ppm1 0.868 ppm2 1.932 CV 1 ASSI { 130} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 78 and name HG11)) 2.400 0.700 0.700 peak 130 spectrum 1 weight 0.10000E+01 volume 0.30829E-02 ppm1 0.868 ppm2 1.726 CV 1 ASSI { 131} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 5 and name HB1 )) 3.500 1.500 1.500 peak 131 spectrum 1 weight 0.10000E+01 volume 0.27430E-02 ppm1 0.868 ppm2 1.594 CV 1 ASSI { 132} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 52 and name HB2 )) 3.600 1.600 1.600 peak 132 spectrum 1 weight 0.10000E+01 volume 0.10522E-02 ppm1 0.868 ppm2 1.451 CV 1 ASSI { 133} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 5 and name HB2 )) 3.500 1.500 1.500 peak 133 spectrum 1 weight 0.10000E+01 volume 0.17493E-02 ppm1 0.869 ppm2 1.367 CV 1 ASSI { 134} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 78 and name HG12)) 3.100 1.200 1.200 peak 134 spectrum 1 weight 0.10000E+01 volume 0.39779E-02 ppm1 0.868 ppm2 1.291 CV 1 ASSI { 156} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 64 and name HB )) 2.700 0.900 0.900 peak 156 spectrum 1 weight 0.10000E+01 volume 0.28014E-02 ppm1 1.023 ppm2 2.207 CV 1 ASSI { 161} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 60 and name HB )) 2.300 0.600 0.600 peak 161 spectrum 1 weight 0.10000E+01 volume 0.62546E-02 ppm1 1.023 ppm2 1.786 CV 1 ASSI { 168} ( segid " " and resid 49 and name HB% ) ( segid " " and resid 45 and name HD1%) 4.800 2.900 1.200 peak 168 spectrum 1 weight 0.10000E+01 volume 0.27971E-03 ppm1 1.530 ppm2 0.233 CV 1 ASSI { 176} ( segid " " and resid 49 and name HB% ) ( segid " " and resid 60 and name HG2%) 2.800 1.000 1.000 peak 176 spectrum 1 weight 0.10000E+01 volume 0.33042E-02 ppm1 1.523 ppm2 1.031 CV 1 ASSI { 186} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 79 and name HA )) 3.300 1.300 1.300 peak 186 spectrum 1 weight 0.10000E+01 volume 0.10919E-02 ppm1 0.869 ppm2 4.901 CV 1 ASSI { 193} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 75 and name HA )) 4.000 2.000 2.000 peak 193 spectrum 1 weight 0.10000E+01 volume 0.10484E-02 ppm1 0.869 ppm2 3.883 CV 1 ASSI { 194} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 78 and name HA )) 2.300 0.700 0.700 peak 194 spectrum 1 weight 0.10000E+01 volume 0.55254E-02 ppm1 0.868 ppm2 3.739 CV 1 ASSI { 195} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 56 and name HB1 )) 4.300 2.400 1.700 peak 195 spectrum 1 weight 0.10000E+01 volume 0.51153E-03 ppm1 0.872 ppm2 3.463 CV 1 ASSI { 204} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 61 and name HD2 )) 2.700 0.900 0.900 peak 204 spectrum 1 weight 0.10000E+01 volume 0.34395E-02 ppm1 1.024 ppm2 3.571 CV 1 ASSI { 206} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 60 and name HA )) 2.500 0.800 0.800 peak 206 spectrum 1 weight 0.10000E+01 volume 0.42573E-02 ppm1 1.023 ppm2 4.654 CV 1 ASSI { 210} ( segid " " and resid 44 and name HB% ) (( segid " " and resid 45 and name HA )) 3.500 1.600 1.600 peak 210 spectrum 1 weight 0.10000E+01 volume 0.92729E-03 ppm1 1.515 ppm2 3.887 CV 1 ASSI { 211} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 49 and name HA )) 2.100 0.600 0.600 peak 211 spectrum 1 weight 0.10000E+01 volume 0.99257E-02 ppm1 1.524 ppm2 3.949 CV 1 ASSI { 212} ( segid " " and resid 44 and name HB% ) (( segid " " and resid 40 and name HA )) 2.700 0.900 0.900 peak 212 spectrum 1 weight 0.10000E+01 volume 0.34666E-02 ppm1 1.519 ppm2 4.581 CV 1 ASSI { 216} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 81 and name HN )) 4.500 2.500 1.500 peak 216 spectrum 1 weight 0.10000E+01 volume 0.29419E-03 ppm1 0.869 ppm2 7.559 CV 1 ASSI { 217} ( segid " " and resid 78 and name HG2%) ( segid " " and resid 56 and name HD% ) 3.700 1.700 1.700 peak 217 spectrum 1 weight 0.10000E+01 volume 0.64477E-03 ppm1 0.870 ppm2 7.437 CV 1 ASSI { 218} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 79 and name HD21)) 4.300 2.300 1.700 peak 218 spectrum 1 weight 0.10000E+01 volume 0.33810E-03 ppm1 0.870 ppm2 7.331 CV 1 ASSI { 219} ( segid " " and resid 78 and name HG2%) ( segid " " and resid 56 and name HE% ) 3.600 1.600 1.600 peak 219 spectrum 1 weight 0.10000E+01 volume 0.22787E-03 ppm1 0.866 ppm2 6.806 CV 1 ASSI { 220} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 64 and name HN )) 4.700 2.700 1.300 peak 220 spectrum 1 weight 0.10000E+01 volume 0.40533E-03 ppm1 1.022 ppm2 7.406 CV 1 ASSI { 224} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 65 and name HN )) 3.000 1.100 1.100 peak 224 spectrum 1 weight 0.10000E+01 volume 0.17220E-02 ppm1 1.024 ppm2 8.209 CV 1 ASSI { 228} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 5 and name HN )) 4.700 2.800 1.300 peak 228 spectrum 1 weight 0.10000E+01 volume 0.47993E-03 ppm1 0.864 ppm2 9.428 CV 1 ASSI { 230} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 64 and name HB )) 4.200 2.200 1.800 peak 230 spectrum 1 weight 0.10000E+01 volume 0.94552E-03 ppm1 1.387 ppm2 2.196 CV 1 ASSI { 236} ( segid " " and resid 44 and name HB% ) ( segid " " and resid 45 and name HD1%) 4.900 2.900 1.100 peak 236 spectrum 1 weight 0.10000E+01 volume 0.55611E-03 ppm1 1.521 ppm2 0.235 CV 1 ASSI { 237} ( segid " " and resid 49 and name HB% ) ( segid " " and resid 45 and name HD2%) 4.000 2.000 2.000 peak 237 spectrum 1 weight 0.10000E+01 volume 0.49604E-03 ppm1 1.524 ppm2 0.356 CV 1 ASSI { 249} ( segid " " and resid 65 and name HB% ) ( segid " " and resid 60 and name HG2%) 2.600 0.900 0.900 peak 249 spectrum 1 weight 0.10000E+01 volume 0.30132E-02 ppm1 1.387 ppm2 1.027 CV 1 ASSI { 251} ( segid " " and resid 65 and name HB% ) ( segid " " and resid 45 and name HD1%) 4.000 2.000 2.000 peak 251 spectrum 1 weight 0.10000E+01 volume 0.60801E-03 ppm1 1.384 ppm2 0.242 CV 1 ASSI { 254} ( segid " " and resid 13 and name HB% ) ( segid " " and resid 5 and name HD1%) 4.400 2.400 1.600 peak 254 spectrum 1 weight 0.10000E+01 volume 0.64596E-03 ppm1 1.669 ppm2 0.622 CV 1 OR { 254} ( segid " " and resid 13 and name HB% ) ( segid " " and resid 5 and name HD2%) ASSI { 269} ( segid " " and resid 44 and name HB% ) (( segid " " and resid 40 and name HB1 )) 3.800 1.800 1.800 peak 269 spectrum 1 weight 0.10000E+01 volume 0.76974E-03 ppm1 1.520 ppm2 3.004 CV 1 ASSI { 270} ( segid " " and resid 44 and name HB% ) (( segid " " and resid 40 and name HB2 )) 3.800 1.800 1.800 peak 270 spectrum 1 weight 0.10000E+01 volume 0.15503E-02 ppm1 1.520 ppm2 2.789 CV 1 ASSI { 272} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 51 and name HD2 )) 4.600 2.700 1.400 peak 272 spectrum 1 weight 0.10000E+01 volume 0.46550E-03 ppm1 1.670 ppm2 3.298 CV 1 ASSI { 273} ( segid " " and resid 44 and name HB% ) (( segid " " and resid 41 and name HB1 )) 3.400 1.400 1.400 peak 273 spectrum 1 weight 0.10000E+01 volume 0.35711E-03 ppm1 1.519 ppm2 3.295 CV 1 ASSI { 275} ( segid " " and resid 81 and name HB% ) (( segid " " and resid 78 and name HA )) 2.700 0.900 0.900 peak 275 spectrum 1 weight 0.10000E+01 volume 0.31711E-02 ppm1 1.626 ppm2 3.739 CV 1 ASSI { 277} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 46 and name HA )) 3.000 1.100 1.100 peak 277 spectrum 1 weight 0.10000E+01 volume 0.16457E-02 ppm1 1.391 ppm2 4.255 CV 1 ASSI { 279} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 66 and name HA1 )) 4.200 2.200 1.800 peak 279 spectrum 1 weight 0.10000E+01 volume 0.63687E-03 ppm1 1.391 ppm2 4.119 CV 1 ASSI { 280} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 65 and name HA )) 2.200 0.600 0.600 peak 280 spectrum 1 weight 0.10000E+01 volume 0.88583E-02 ppm1 1.391 ppm2 3.985 CV 1 ASSI { 281} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 66 and name HA2 )) 3.800 1.800 1.800 peak 281 spectrum 1 weight 0.10000E+01 volume 0.62019E-03 ppm1 1.391 ppm2 3.873 CV 1 ASSI { 282} ( segid " " and resid 44 and name HB% ) (( segid " " and resid 44 and name HA )) 2.200 0.600 0.600 peak 282 spectrum 1 weight 0.10000E+01 volume 0.11544E-01 ppm1 1.519 ppm2 4.307 CV 1 ASSI { 284} ( segid " " and resid 44 and name HB% ) (( segid " " and resid 17 and name HB2 )) 4.000 2.000 2.000 peak 284 spectrum 1 weight 0.10000E+01 volume 0.62024E-03 ppm1 1.518 ppm2 4.061 CV 1 ASSI { 285} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 10 and name HA )) 2.500 0.800 0.800 peak 285 spectrum 1 weight 0.10000E+01 volume 0.41601E-02 ppm1 1.668 ppm2 4.209 CV 1 ASSI { 287} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 53 and name HB2 )) 3.800 1.800 1.800 peak 287 spectrum 1 weight 0.10000E+01 volume 0.10306E-02 ppm1 1.645 ppm2 2.356 CV 1 ASSI { 289} ( segid " " and resid 81 and name HB% ) (( segid " " and resid 81 and name HA )) 2.100 0.600 0.600 peak 289 spectrum 1 weight 0.10000E+01 volume 0.14393E-01 ppm1 1.625 ppm2 4.458 CV 1 ASSI { 291} ( segid " " and resid 81 and name HB% ) (( segid " " and resid 58 and name HA )) 3.700 1.700 1.700 peak 291 spectrum 1 weight 0.10000E+01 volume 0.64095E-03 ppm1 1.623 ppm2 4.666 CV 1 ASSI { 293} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 13 and name HN )) 2.200 0.600 0.600 peak 293 spectrum 1 weight 0.10000E+01 volume 0.89884E-02 ppm1 1.668 ppm2 7.705 CV 1 ASSI { 294} ( segid " " and resid 81 and name HB% ) (( segid " " and resid 81 and name HN )) 2.200 0.600 0.600 peak 294 spectrum 1 weight 0.10000E+01 volume 0.10266E-01 ppm1 1.625 ppm2 7.585 CV 1 ASSI { 298} ( segid " " and resid 44 and name HB% ) ( segid " " and resid 40 and name HD% ) 2.800 1.000 1.000 peak 298 spectrum 1 weight 0.10000E+01 volume 0.34137E-02 ppm1 1.519 ppm2 6.969 CV 1 ASSI { 299} ( segid " " and resid 13 and name HB% ) ( segid " " and resid 56 and name HE% ) 5.100 3.300 0.900 peak 299 spectrum 1 weight 0.10000E+01 volume 0.61518E-03 ppm1 1.668 ppm2 6.809 CV 1 ASSI { 300} ( segid " " and resid 44 and name HB% ) ( segid " " and resid 40 and name HE% ) 3.100 1.200 1.200 peak 300 spectrum 1 weight 0.10000E+01 volume 0.16351E-02 ppm1 1.519 ppm2 6.750 CV 1 ASSI { 302} ( segid " " and resid 44 and name HB% ) (( segid " " and resid 41 and name HN )) 2.800 0.900 0.900 peak 302 spectrum 1 weight 0.10000E+01 volume 0.44613E-02 ppm1 1.519 ppm2 7.975 CV 1 ASSI { 303} ( segid " " and resid 44 and name HB% ) (( segid " " and resid 43 and name HN )) 4.300 2.300 1.700 peak 303 spectrum 1 weight 0.10000E+01 volume 0.87178E-03 ppm1 1.518 ppm2 7.791 CV 1 ASSI { 306} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 51 and name HN )) 2.600 0.800 0.800 peak 306 spectrum 1 weight 0.10000E+01 volume 0.51385E-02 ppm1 1.647 ppm2 8.113 CV 1 ASSI { 311} ( segid " " and resid 44 and name HB% ) (( segid " " and resid 45 and name HN )) 2.700 0.900 0.900 peak 311 spectrum 1 weight 0.10000E+01 volume 0.41291E-02 ppm1 1.519 ppm2 8.462 CV 1 ASSI { 312} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 50 and name HN )) 2.700 0.900 0.900 peak 312 spectrum 1 weight 0.10000E+01 volume 0.36006E-02 ppm1 1.524 ppm2 8.230 CV 1 ASSI { 314} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 49 and name HN )) 2.200 0.600 0.600 peak 314 spectrum 1 weight 0.10000E+01 volume 0.81131E-02 ppm1 1.524 ppm2 8.757 CV 1 ASSI { 315} ( segid " " and resid 81 and name HB% ) (( segid " " and resid 82 and name HN )) 2.600 0.900 0.900 peak 315 spectrum 1 weight 0.10000E+01 volume 0.43238E-02 ppm1 1.626 ppm2 8.274 CV 1 ASSI { 316} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 50 and name HN )) 2.200 0.600 0.600 peak 316 spectrum 1 weight 0.10000E+01 volume 0.11102E-01 ppm1 1.647 ppm2 8.228 CV 1 ASSI { 320} ( segid " " and resid 44 and name HB% ) (( segid " " and resid 19 and name HN )) 3.000 3.000 3.000 peak 320 spectrum 1 weight 0.10000E+01 volume 0.70633E-03 ppm1 1.519 ppm2 8.264 CV 1 ASSI { 321} ( segid " " and resid 44 and name HB% ) (( segid " " and resid 44 and name HN )) 2.200 0.600 0.600 peak 321 spectrum 1 weight 0.10000E+01 volume 0.97300E-02 ppm1 1.519 ppm2 8.156 CV 1 ASSI { 326} ( segid " " and resid 83 and name HB% ) (( segid " " and resid 84 and name HN )) 2.800 1.000 1.000 peak 326 spectrum 1 weight 0.10000E+01 volume 0.32403E-02 ppm1 1.603 ppm2 7.748 CV 1 ASSI { 327} ( segid " " and resid 83 and name HB% ) (( segid " " and resid 83 and name HN )) 2.200 0.600 0.600 peak 327 spectrum 1 weight 0.10000E+01 volume 0.11649E-01 ppm1 1.603 ppm2 7.956 CV 1 ASSI { 330} ( segid " " and resid 38 and name HG2%) ( segid " " and resid 40 and name HD% ) 5.000 3.100 1.000 peak 330 spectrum 1 weight 0.10000E+01 volume 0.67395E-03 ppm1 1.055 ppm2 6.977 CV 1 ASSI { 334} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 38 and name HA )) 2.400 0.700 0.700 peak 334 spectrum 1 weight 0.10000E+01 volume 0.69187E-02 ppm1 1.055 ppm2 4.662 CV 1 ASSI { 337} ( segid " " and resid 83 and name HB% ) (( segid " " and resid 83 and name HA )) 2.200 0.600 0.600 peak 337 spectrum 1 weight 0.10000E+01 volume 0.12764E-01 ppm1 1.603 ppm2 4.279 CV 1 ASSI { 338} ( segid " " and resid 83 and name HB% ) (( segid " " and resid 80 and name HA2 )) 2.600 0.900 0.900 peak 338 spectrum 1 weight 0.10000E+01 volume 0.29061E-02 ppm1 1.603 ppm2 4.021 CV 1 ASSI { 344} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 38 and name HB )) 2.400 0.700 0.700 peak 344 spectrum 1 weight 0.10000E+01 volume 0.50780E-02 ppm1 1.055 ppm2 2.453 CV 1 ASSI { 349} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 38 and name HG12)) 2.500 0.800 0.800 peak 349 spectrum 1 weight 0.10000E+01 volume 0.37003E-02 ppm1 1.058 ppm2 1.535 CV 1 ASSI { 351} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 33 and name HB2 )) 2.900 1.100 1.100 peak 351 spectrum 1 weight 0.10000E+01 volume 0.22841E-02 ppm1 1.055 ppm2 1.412 CV 1 ASSI { 360} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 68 and name HB )) 2.100 0.600 0.600 peak 360 spectrum 1 weight 0.10000E+01 volume 0.99675E-02 ppm1 1.205 ppm2 2.408 CV 1 ASSI { 366} ( segid " " and resid 68 and name HG2%) ( segid " " and resid 45 and name HD2%) 2.600 0.900 0.900 peak 366 spectrum 1 weight 0.10000E+01 volume 0.36683E-02 ppm1 1.205 ppm2 0.354 CV 1 ASSI { 367} ( segid " " and resid 68 and name HG2%) ( segid " " and resid 45 and name HD1%) 2.600 0.900 0.900 peak 367 spectrum 1 weight 0.10000E+01 volume 0.30928E-02 ppm1 1.205 ppm2 0.232 CV 1 ASSI { 368} ( segid " " and resid 68 and name HG2%) ( segid " " and resid 74 and name HD1%) 2.200 0.600 0.600 peak 368 spectrum 1 weight 0.10000E+01 volume 0.11008E-01 ppm1 1.205 ppm2 1.089 CV 1 OR { 368} ( segid " " and resid 68 and name HG2%) ( segid " " and resid 74 and name HD2%) ASSI { 372} ( segid " " and resid 58 and name HG1%) ( segid " " and resid 81 and name HB% ) 2.500 0.800 0.800 peak 372 spectrum 1 weight 0.10000E+01 volume 0.45557E-02 ppm1 0.919 ppm2 1.623 CV 1 ASSI { 373} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 60 and name HG11)) 3.900 1.900 1.900 peak 373 spectrum 1 weight 0.10000E+01 volume 0.14730E-02 ppm1 0.919 ppm2 1.492 CV 1 ASSI { 374} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 82 and name HG )) 3.200 1.300 1.300 peak 374 spectrum 1 weight 0.10000E+01 volume 0.11603E-02 ppm1 0.919 ppm2 1.829 CV 1 ASSI { 376} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 77 and name HG )) 4.100 2.100 1.900 peak 376 spectrum 1 weight 0.10000E+01 volume 0.87003E-03 ppm1 1.205 ppm2 1.799 CV 1 ASSI { 377} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 74 and name HB2 )) 2.400 0.700 0.700 peak 377 spectrum 1 weight 0.10000E+01 volume 0.39259E-02 ppm1 1.205 ppm2 1.696 CV 1 ASSI { 378} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 77 and name HB1 )) 4.600 2.700 1.400 peak 378 spectrum 1 weight 0.10000E+01 volume 0.64023E-03 ppm1 1.205 ppm2 2.047 CV 1 ASSI { 379} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 58 and name HB )) 2.100 0.600 0.600 peak 379 spectrum 1 weight 0.10000E+01 volume 0.79597E-02 ppm1 0.919 ppm2 2.131 CV 1 ASSI { 380} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 53 and name HG2 )) 4.200 2.200 1.800 peak 380 spectrum 1 weight 0.10000E+01 volume 0.18219E-02 ppm1 0.920 ppm2 2.327 CV 1 ASSI { 382} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 53 and name HB1 )) 4.900 3.000 1.100 peak 382 spectrum 1 weight 0.10000E+01 volume 0.75394E-03 ppm1 0.920 ppm2 2.504 CV 1 ASSI { 384} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 82 and name HA )) 3.700 1.700 1.700 peak 384 spectrum 1 weight 0.10000E+01 volume 0.78152E-03 ppm1 0.919 ppm2 4.213 CV 1 ASSI { 385} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 53 and name HA )) 2.900 1.100 1.100 peak 385 spectrum 1 weight 0.10000E+01 volume 0.48901E-02 ppm1 0.919 ppm2 4.089 CV 1 ASSI { 386} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 78 and name HA )) 3.200 1.300 1.300 peak 386 spectrum 1 weight 0.10000E+01 volume 0.14684E-02 ppm1 0.919 ppm2 3.741 CV 1 ASSI { 387} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 56 and name HB1 )) 3.700 1.700 1.700 peak 387 spectrum 1 weight 0.10000E+01 volume 0.10589E-02 ppm1 0.920 ppm2 3.458 CV 1 ASSI { 388} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 74 and name HA )) 3.000 1.200 1.200 peak 388 spectrum 1 weight 0.10000E+01 volume 0.22458E-02 ppm1 1.206 ppm2 4.304 CV 1 ASSI { 389} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 65 and name HA )) 2.700 0.900 0.900 peak 389 spectrum 1 weight 0.10000E+01 volume 0.20989E-02 ppm1 1.205 ppm2 3.985 CV 1 ASSI { 390} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 64 and name HA )) 3.300 1.300 1.300 peak 390 spectrum 1 weight 0.10000E+01 volume 0.44650E-03 ppm1 1.206 ppm2 3.843 CV 1 ASSI { 393} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 15 and name HA )) 2.800 1.000 1.000 peak 393 spectrum 1 weight 0.10000E+01 volume 0.26172E-02 ppm1 1.540 ppm2 3.937 CV 1 ASSI { 399} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 68 and name HA )) 3.200 1.200 1.200 peak 399 spectrum 1 weight 0.10000E+01 volume 0.31131E-02 ppm1 1.204 ppm2 4.440 CV 1 ASSI { 400} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 58 and name HA )) 2.700 0.900 0.900 peak 400 spectrum 1 weight 0.10000E+01 volume 0.29018E-02 ppm1 0.919 ppm2 4.679 CV 1 ASSI { 401} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 81 and name HA )) 5.600 3.900 0.400 peak 401 spectrum 1 weight 0.10000E+01 volume 0.29158E-03 ppm1 0.920 ppm2 4.462 CV 1 ASSI { 402} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 18 and name HA )) 2.200 0.600 0.600 peak 402 spectrum 1 weight 0.10000E+01 volume 0.12304E-01 ppm1 1.541 ppm2 4.367 CV 1 ASSI { 404} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 17 and name HB1 )) 4.300 2.300 1.700 peak 404 spectrum 1 weight 0.10000E+01 volume 0.66755E-03 ppm1 1.542 ppm2 4.165 CV 1 ASSI { 405} ( segid " " and resid 86 and name HB% ) (( segid " " and resid 86 and name HA )) 3.200 1.300 1.300 peak 405 spectrum 1 weight 0.10000E+01 volume 0.16500E-02 ppm1 1.477 ppm2 4.222 CV 1 ASSI { 406} ( segid " " and resid 2 and name HB% ) (( segid " " and resid 2 and name HA )) 2.500 0.800 0.800 peak 406 spectrum 1 weight 0.10000E+01 volume 0.51269E-02 ppm1 1.645 ppm2 4.280 CV 1 ASSI { 409} ( segid " " and resid 85 and name HB% ) (( segid " " and resid 85 and name HA )) 2.500 0.800 0.800 peak 409 spectrum 1 weight 0.10000E+01 volume 0.69032E-02 ppm1 1.568 ppm2 4.472 CV 1 ASSI { 411} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 59 and name HA )) 5.000 3.100 1.000 peak 411 spectrum 1 weight 0.10000E+01 volume 0.46562E-03 ppm1 0.918 ppm2 4.838 CV 1 ASSI { 412} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 69 and name HA )) 4.200 2.200 1.800 peak 412 spectrum 1 weight 0.10000E+01 volume 0.34648E-03 ppm1 1.205 ppm2 5.266 CV 1 ASSI { 413} ( segid " " and resid 18 and name HB% ) ( segid " " and resid 40 and name HD% ) 3.900 1.900 1.900 peak 413 spectrum 1 weight 0.10000E+01 volume 0.10352E-02 ppm1 1.542 ppm2 6.969 CV 1 ASSI { 414} ( segid " " and resid 18 and name HB% ) ( segid " " and resid 40 and name HE% ) 2.900 1.000 1.000 peak 414 spectrum 1 weight 0.10000E+01 volume 0.26311E-02 ppm1 1.541 ppm2 6.751 CV 1 ASSI { 416} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 68 and name HN )) 2.200 0.600 0.600 peak 416 spectrum 1 weight 0.10000E+01 volume 0.56375E-02 ppm1 1.205 ppm2 7.325 CV 1 ASSI { 418} ( segid " " and resid 68 and name HG2%) ( segid " " and resid 35 and name HD% ) 3.300 1.300 1.300 peak 418 spectrum 1 weight 0.10000E+01 volume 0.13251E-02 ppm1 1.206 ppm2 7.117 CV 1 ASSI { 419} ( segid " " and resid 68 and name HG2%) ( segid " " and resid 35 and name HE% ) 2.600 0.900 0.900 peak 419 spectrum 1 weight 0.10000E+01 volume 0.35099E-02 ppm1 1.205 ppm2 6.918 CV 1 ASSI { 420} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 66 and name HN )) 4.700 2.800 1.300 peak 420 spectrum 1 weight 0.10000E+01 volume 0.26529E-03 ppm1 1.206 ppm2 8.030 CV 1 ASSI { 421} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 73 and name HN )) 5.300 3.500 0.700 peak 421 spectrum 1 weight 0.10000E+01 volume 0.25757E-03 ppm1 1.205 ppm2 7.837 CV 1 ASSI { 422} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 74 and name HN )) 3.900 1.900 1.900 peak 422 spectrum 1 weight 0.10000E+01 volume 0.83300E-03 ppm1 1.205 ppm2 7.710 CV 1 ASSI { 423} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 58 and name HN )) 2.400 0.700 0.700 peak 423 spectrum 1 weight 0.10000E+01 volume 0.49340E-02 ppm1 0.920 ppm2 7.528 CV 1 ASSI { 424} ( segid " " and resid 58 and name HG1%) ( segid " " and resid 56 and name HD% ) 4.200 2.200 1.800 peak 424 spectrum 1 weight 0.10000E+01 volume 0.67410E-03 ppm1 0.919 ppm2 7.432 CV 1 ASSI { 426} ( segid " " and resid 86 and name HB% ) (( segid " " and resid 86 and name HN )) 3.300 1.300 1.300 peak 426 spectrum 1 weight 0.10000E+01 volume 0.14871E-02 ppm1 1.479 ppm2 7.974 CV 1 ASSI { 428} ( segid " " and resid 85 and name HB% ) (( segid " " and resid 85 and name HN )) 2.400 0.700 0.700 peak 428 spectrum 1 weight 0.10000E+01 volume 0.87560E-02 ppm1 1.567 ppm2 7.828 CV 1 ASSI { 429} ( segid " " and resid 85 and name HB% ) (( segid " " and resid 84 and name HN )) 3.100 3.100 2.900 peak 429 spectrum 1 weight 0.10000E+01 volume 0.60568E-03 ppm1 1.564 ppm2 7.719 CV 1 ASSI { 430} ( segid " " and resid 85 and name HB% ) (( segid " " and resid 86 and name HN )) 3.400 1.400 1.400 peak 430 spectrum 1 weight 0.10000E+01 volume 0.12473E-02 ppm1 1.567 ppm2 7.962 CV 1 ASSI { 432} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 19 and name HN )) 2.900 1.000 1.000 peak 432 spectrum 1 weight 0.10000E+01 volume 0.26382E-02 ppm1 1.541 ppm2 8.242 CV 1 ASSI { 434} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 65 and name HN )) 4.800 2.900 1.200 peak 434 spectrum 1 weight 0.10000E+01 volume 0.26735E-03 ppm1 1.205 ppm2 8.220 CV 1 ASSI { 435} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 59 and name HN )) 4.000 2.000 2.000 peak 435 spectrum 1 weight 0.10000E+01 volume 0.19438E-02 ppm1 0.919 ppm2 8.480 CV 1 ASSI { 437} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 56 and name HN )) 4.100 2.100 1.900 peak 437 spectrum 1 weight 0.10000E+01 volume 0.63026E-03 ppm1 0.919 ppm2 8.133 CV 1 ASSI { 439} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 53 and name HN )) 4.900 3.000 1.100 peak 439 spectrum 1 weight 0.10000E+01 volume 0.42111E-03 ppm1 0.915 ppm2 8.959 CV 1 ASSI { 449} ( segid " " and resid 48 and name HG2%) ( segid " " and resid 45 and name HD2%) 4.000 2.000 2.000 peak 449 spectrum 1 weight 0.10000E+01 volume 0.64932E-03 ppm1 1.122 ppm2 0.347 CV 1 ASSI { 450} ( segid " " and resid 48 and name HG2%) ( segid " " and resid 45 and name HD1%) 4.700 2.700 1.300 peak 450 spectrum 1 weight 0.10000E+01 volume 0.42505E-03 ppm1 1.125 ppm2 0.236 CV 1 ASSI { 453} ( segid " " and resid 48 and name HG2%) ( segid " " and resid 14 and name HD1%) 2.300 0.700 0.700 peak 453 spectrum 1 weight 0.10000E+01 volume 0.68015E-02 ppm1 1.125 ppm2 0.761 CV 1 ASSI { 454} ( segid " " and resid 24 and name HG2%) ( segid " " and resid 26 and name HD1%) 3.000 1.100 1.100 peak 454 spectrum 1 weight 0.10000E+01 volume 0.24831E-02 ppm1 1.277 ppm2 0.692 CV 1 ASSI { 456} ( segid " " and resid 48 and name HG2%) ( segid " " and resid 13 and name HB% ) 2.300 0.700 0.700 peak 456 spectrum 1 weight 0.10000E+01 volume 0.61658E-02 ppm1 1.124 ppm2 1.667 CV 1 ASSI { 458} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 60 and name HG11)) 3.700 3.700 2.300 peak 458 spectrum 1 weight 0.10000E+01 volume 0.12461E-02 ppm1 1.123 ppm2 1.477 CV 1 ASSI { 463} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 58 and name HB )) 2.100 0.500 0.500 peak 463 spectrum 1 weight 0.10000E+01 volume 0.66806E-02 ppm1 0.969 ppm2 2.132 CV 1 ASSI { 464} ( segid " " and resid 64 and name HG1%) (( segid " " and resid 64 and name HB )) 2.200 0.600 0.600 peak 464 spectrum 1 weight 0.10000E+01 volume 0.61487E-02 ppm1 0.975 ppm2 2.207 CV 1 ASSI { 465} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 15 and name HB )) 2.200 0.600 0.600 peak 465 spectrum 1 weight 0.10000E+01 volume 0.94134E-02 ppm1 1.035 ppm2 2.272 CV 1 ASSI { 466} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 6 and name HB )) 2.300 0.600 0.600 peak 466 spectrum 1 weight 0.10000E+01 volume 0.76721E-02 ppm1 1.412 ppm2 4.848 CV 1 ASSI { 467} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 5 and name HA )) 3.200 1.300 1.300 peak 467 spectrum 1 weight 0.10000E+01 volume 0.14906E-02 ppm1 1.411 ppm2 4.524 CV 1 ASSI { 468} ( segid " " and resid 24 and name HG2%) (( segid " " and resid 24 and name HA )) 3.000 1.100 1.100 peak 468 spectrum 1 weight 0.10000E+01 volume 0.59076E-02 ppm1 1.276 ppm2 4.330 CV 1 ASSI { 471} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 21 and name HB )) 2.300 0.700 0.700 peak 471 spectrum 1 weight 0.10000E+01 volume 0.86837E-02 ppm1 1.240 ppm2 4.367 CV 1 ASSI { 473} ( segid " " and resid 24 and name HG2%) (( segid " " and resid 38 and name HB )) 3.300 1.400 1.400 peak 473 spectrum 1 weight 0.10000E+01 volume 0.89213E-03 ppm1 1.276 ppm2 2.453 CV 1 ASSI { 476} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 69 and name HB2 )) 2.600 0.900 0.900 peak 476 spectrum 1 weight 0.10000E+01 volume 0.33993E-02 ppm1 1.073 ppm2 2.873 CV 1 ASSI { 477} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 69 and name HB1 )) 3.200 1.200 1.200 peak 477 spectrum 1 weight 0.10000E+01 volume 0.28049E-02 ppm1 1.074 ppm2 3.009 CV 1 ASSI { 478} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 34 and name HG1 )) 3.800 1.800 1.800 peak 478 spectrum 1 weight 0.10000E+01 volume 0.11425E-02 ppm1 1.074 ppm2 1.953 CV 1 ASSI { 481} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 16 and name HG2 )) 3.800 1.800 1.800 peak 481 spectrum 1 weight 0.10000E+01 volume 0.77361E-03 ppm1 1.036 ppm2 2.390 CV 1 ASSI { 485} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 34 and name HD1 )) 3.100 3.100 2.900 peak 485 spectrum 1 weight 0.10000E+01 volume 0.54377E-03 ppm1 1.073 ppm2 3.440 CV 1 ASSI { 489} ( segid " " and resid 64 and name HG1%) (( segid " " and resid 64 and name HA )) 2.500 0.800 0.800 peak 489 spectrum 1 weight 0.10000E+01 volume 0.43988E-02 ppm1 0.975 ppm2 3.825 CV 1 ASSI { 491} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 16 and name HA )) 3.400 1.400 1.400 peak 491 spectrum 1 weight 0.10000E+01 volume 0.12488E-02 ppm1 1.034 ppm2 4.204 CV 1 ASSI { 493} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 15 and name HA )) 2.500 0.800 0.800 peak 493 spectrum 1 weight 0.10000E+01 volume 0.55549E-02 ppm1 1.034 ppm2 3.936 CV 1 ASSI { 498} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 58 and name HA )) 2.900 1.100 1.100 peak 498 spectrum 1 weight 0.10000E+01 volume 0.45883E-02 ppm1 0.969 ppm2 4.680 CV 1 ASSI { 505} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 17 and name HB2 )) 3.200 1.300 1.300 peak 505 spectrum 1 weight 0.10000E+01 volume 0.44862E-03 ppm1 1.127 ppm2 4.061 CV 1 ASSI { 506} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 32 and name HA )) 3.000 1.200 1.200 peak 506 spectrum 1 weight 0.10000E+01 volume 0.21837E-02 ppm1 1.073 ppm2 5.045 CV 1 ASSI { 507} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 70 and name HA )) 2.600 0.800 0.800 peak 507 spectrum 1 weight 0.10000E+01 volume 0.38850E-02 ppm1 1.073 ppm2 4.953 CV 1 ASSI { 508} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 34 and name HA )) 2.700 0.900 0.900 peak 508 spectrum 1 weight 0.10000E+01 volume 0.41953E-02 ppm1 1.073 ppm2 4.734 CV 1 ASSI { 509} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 70 and name HB )) 2.300 0.700 0.700 peak 509 spectrum 1 weight 0.10000E+01 volume 0.68454E-02 ppm1 1.073 ppm2 4.623 CV 1 ASSI { 511} ( segid " " and resid 24 and name HG2%) (( segid " " and resid 23 and name HA2 )) 3.000 1.200 1.200 peak 511 spectrum 1 weight 0.10000E+01 volume 0.67586E-03 ppm1 1.276 ppm2 4.070 CV 1 OR { 511} ( segid " " and resid 24 and name HG2%) (( segid " " and resid 23 and name HA1 )) ASSI { 512} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 69 and name HA )) 3.200 1.300 1.300 peak 512 spectrum 1 weight 0.10000E+01 volume 0.50184E-03 ppm1 1.073 ppm2 5.263 CV 1 ASSI { 513} ( segid " " and resid 24 and name HG2%) ( segid " " and resid 40 and name HE% ) 4.000 2.000 2.000 peak 513 spectrum 1 weight 0.10000E+01 volume 0.34906E-03 ppm1 1.276 ppm2 6.742 CV 1 ASSI { 515} ( segid " " and resid 48 and name HG2%) ( segid " " and resid 40 and name HE% ) 3.000 1.100 1.100 peak 515 spectrum 1 weight 0.10000E+01 volume 0.77108E-03 ppm1 1.125 ppm2 6.751 CV 1 ASSI { 516} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 70 and name HN )) 2.900 1.100 1.100 peak 516 spectrum 1 weight 0.10000E+01 volume 0.25125E-02 ppm1 1.073 ppm2 7.474 CV 1 ASSI { 518} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 58 and name HN )) 2.900 1.100 1.100 peak 518 spectrum 1 weight 0.10000E+01 volume 0.16739E-02 ppm1 0.968 ppm2 7.529 CV 1 ASSI { 519} ( segid " " and resid 64 and name HG1%) (( segid " " and resid 64 and name HN )) 3.800 1.800 1.800 peak 519 spectrum 1 weight 0.10000E+01 volume 0.20782E-02 ppm1 0.975 ppm2 7.402 CV 1 ASSI { 523} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 9 and name HN )) 5.000 3.100 1.000 peak 523 spectrum 1 weight 0.10000E+01 volume 0.28104E-03 ppm1 1.411 ppm2 7.894 CV 1 ASSI { 525} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 16 and name HN )) 3.300 1.400 1.400 peak 525 spectrum 1 weight 0.10000E+01 volume 0.21886E-02 ppm1 1.035 ppm2 8.218 CV 1 ASSI { 526} ( segid " " and resid 64 and name HG1%) (( segid " " and resid 65 and name HN )) 3.100 1.200 1.200 peak 526 spectrum 1 weight 0.10000E+01 volume 0.26693E-02 ppm1 0.975 ppm2 8.218 CV 1 ASSI { 527} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 59 and name HN )) 3.500 1.500 1.500 peak 527 spectrum 1 weight 0.10000E+01 volume 0.11772E-02 ppm1 0.971 ppm2 8.483 CV 1 ASSI { 529} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 15 and name HN )) 3.800 1.800 1.800 peak 529 spectrum 1 weight 0.10000E+01 volume 0.24866E-02 ppm1 1.033 ppm2 8.459 CV 1 ASSI { 533} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 51 and name HN )) 4.200 2.200 1.800 peak 533 spectrum 1 weight 0.10000E+01 volume 0.42896E-03 ppm1 1.124 ppm2 8.120 CV 1 ASSI { 534} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 49 and name HN )) 3.300 1.300 1.300 peak 534 spectrum 1 weight 0.10000E+01 volume 0.18688E-02 ppm1 1.125 ppm2 8.756 CV 1 ASSI { 536} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 21 and name HN )) 3.100 1.200 1.200 peak 536 spectrum 1 weight 0.10000E+01 volume 0.22863E-02 ppm1 1.239 ppm2 8.252 CV 1 ASSI { 539} ( segid " " and resid 24 and name HG2%) (( segid " " and resid 25 and name HN )) 3.300 1.300 1.300 peak 539 spectrum 1 weight 0.10000E+01 volume 0.17733E-02 ppm1 1.275 ppm2 8.604 CV 1 ASSI { 540} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 7 and name HN )) 4.300 2.300 1.700 peak 540 spectrum 1 weight 0.10000E+01 volume 0.15700E-02 ppm1 1.410 ppm2 8.836 CV 1 ASSI { 541} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 8 and name HN )) 4.800 2.900 1.200 peak 541 spectrum 1 weight 0.10000E+01 volume 0.60811E-03 ppm1 1.412 ppm2 8.247 CV 1 ASSI { 542} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 6 and name HN )) 2.600 0.800 0.800 peak 542 spectrum 1 weight 0.10000E+01 volume 0.46772E-02 ppm1 1.412 ppm2 9.032 CV 1 ASSI { 543} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 69 and name HN )) 3.900 1.900 1.900 peak 543 spectrum 1 weight 0.10000E+01 volume 0.94568E-03 ppm1 1.073 ppm2 9.100 CV 1 ASSI { 544} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 72 and name HN )) 4.700 2.700 1.300 peak 544 spectrum 1 weight 0.10000E+01 volume 0.64767E-03 ppm1 1.073 ppm2 8.997 CV 1 ASSI { 545} ( segid " " and resid 24 and name HG2%) ( segid " " and resid 40 and name HD% ) 4.600 2.600 1.400 peak 545 spectrum 1 weight 0.10000E+01 volume 0.24023E-03 ppm1 1.275 ppm2 6.979 CV 1 ASSI { 546} ( segid " " and resid 15 and name HG2%) ( segid " " and resid 26 and name HD2%) 2.800 1.000 1.000 peak 546 spectrum 1 weight 0.10000E+01 volume 0.29904E-02 ppm1 1.111 ppm2 0.803 CV 1 ASSI { 547} ( segid " " and resid 15 and name HG2%) ( segid " " and resid 26 and name HD1%) 3.900 1.900 1.900 peak 547 spectrum 1 weight 0.10000E+01 volume 0.10980E-02 ppm1 1.112 ppm2 0.696 CV 1 ASSI { 550} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 74 and name HB2 )) 2.300 0.700 0.700 peak 550 spectrum 1 weight 0.10000E+01 volume 0.10197E-01 ppm1 1.063 ppm2 1.699 CV 1 OR { 550} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 74 and name HB2 )) ASSI { 551} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 33 and name HG )) 2.100 0.600 0.600 peak 551 spectrum 1 weight 0.10000E+01 volume 0.10330E-01 ppm1 0.952 ppm2 1.771 CV 1 OR { 551} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 33 and name HB1 )) ASSI { 552} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 33 and name HB2 )) 2.600 0.900 0.900 peak 552 spectrum 1 weight 0.10000E+01 volume 0.38541E-02 ppm1 0.952 ppm2 1.410 CV 1 ASSI { 554} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 11 and name HG1 )) 3.100 1.200 1.200 peak 554 spectrum 1 weight 0.10000E+01 volume 0.26740E-02 ppm1 1.111 ppm2 1.410 CV 1 ASSI { 560} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 64 and name HB )) 2.200 0.600 0.600 peak 560 spectrum 1 weight 0.10000E+01 volume 0.73504E-02 ppm1 1.028 ppm2 2.211 CV 1 ASSI { 565} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 15 and name HB )) 2.100 0.600 0.600 peak 565 spectrum 1 weight 0.10000E+01 volume 0.10608E-01 ppm1 1.111 ppm2 2.269 CV 1 ASSI { 566} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 74 and name HB1 )) 2.700 0.900 0.900 peak 566 spectrum 1 weight 0.10000E+01 volume 0.29238E-02 ppm1 1.063 ppm2 2.417 CV 1 OR { 566} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 74 and name HB1 )) ASSI { 568} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 11 and name HA )) 3.900 1.900 1.900 peak 568 spectrum 1 weight 0.10000E+01 volume 0.50888E-03 ppm1 1.111 ppm2 3.509 CV 1 ASSI { 569} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 11 and name HD2 )) 3.800 1.800 1.800 peak 569 spectrum 1 weight 0.10000E+01 volume 0.75585E-03 ppm1 1.112 ppm2 3.195 CV 1 OR { 569} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 11 and name HD1 )) ASSI { 570} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 61 and name HD2 )) 2.900 1.100 1.100 peak 570 spectrum 1 weight 0.10000E+01 volume 0.11279E-02 ppm1 1.028 ppm2 3.567 CV 1 ASSI { 572} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 74 and name HA )) 2.200 0.600 0.600 peak 572 spectrum 1 weight 0.10000E+01 volume 0.85133E-02 ppm1 1.063 ppm2 4.305 CV 1 OR { 572} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 74 and name HA )) ASSI { 573} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 16 and name HA )) 4.800 2.900 1.200 peak 573 spectrum 1 weight 0.10000E+01 volume 0.66011E-03 ppm1 1.112 ppm2 4.206 CV 1 ASSI { 574} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 12 and name HA )) 2.500 0.800 0.800 peak 574 spectrum 1 weight 0.10000E+01 volume 0.41243E-02 ppm1 1.112 ppm2 4.036 CV 1 ASSI { 576} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 15 and name HA )) 2.400 0.700 0.700 peak 576 spectrum 1 weight 0.10000E+01 volume 0.82427E-02 ppm1 1.112 ppm2 3.936 CV 1 ASSI { 577} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 33 and name HA )) 3.000 1.100 1.100 peak 577 spectrum 1 weight 0.10000E+01 volume 0.78136E-02 ppm1 0.952 ppm2 4.317 CV 1 ASSI { 579} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 64 and name HA )) 2.400 0.700 0.700 peak 579 spectrum 1 weight 0.10000E+01 volume 0.61425E-02 ppm1 1.028 ppm2 3.827 CV 1 ASSI { 580} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 30 and name HA )) 3.900 1.900 1.900 peak 580 spectrum 1 weight 0.10000E+01 volume 0.82117E-03 ppm1 0.951 ppm2 4.739 CV 1 ASSI { 584} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 64 and name HN )) 2.300 0.700 0.700 peak 584 spectrum 1 weight 0.10000E+01 volume 0.48141E-02 ppm1 1.028 ppm2 7.402 CV 1 ASSI { 586} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 78 and name HN )) 4.200 2.200 1.800 peak 586 spectrum 1 weight 0.10000E+01 volume 0.55275E-03 ppm1 1.059 ppm2 8.261 CV 1 OR { 586} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 78 and name HN )) ASSI { 587} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 34 and name HN )) 3.600 1.600 1.600 peak 587 spectrum 1 weight 0.10000E+01 volume 0.20583E-02 ppm1 0.952 ppm2 8.449 CV 1 ASSI { 589} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 15 and name HN )) 2.100 0.600 0.600 peak 589 spectrum 1 weight 0.10000E+01 volume 0.95218E-02 ppm1 1.112 ppm2 8.453 CV 1 ASSI { 590} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 16 and name HN )) 3.900 1.900 1.900 peak 590 spectrum 1 weight 0.10000E+01 volume 0.20684E-02 ppm1 1.112 ppm2 8.222 CV 1 ASSI { 598} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 35 and name HZ )) 4.100 2.100 1.900 peak 598 spectrum 1 weight 0.10000E+01 volume 0.48727E-03 ppm1 1.062 ppm2 6.893 CV 1 OR { 598} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 35 and name HZ )) ASSI { 600} ( segid " " and resid 74 and name HD1%) ( segid " " and resid 45 and name HD1%) 3.100 1.200 1.200 peak 600 spectrum 1 weight 0.10000E+01 volume 0.61172E-03 ppm1 1.060 ppm2 0.237 CV 1 OR { 600} ( segid " " and resid 74 and name HD2%) ( segid " " and resid 45 and name HD1%) ASSI { 603} ( segid " " and resid 45 and name HD2%) ( segid " " and resid 74 and name HD1%) 3.000 1.100 1.100 peak 603 spectrum 1 weight 0.10000E+01 volume 0.21578E-02 ppm1 0.352 ppm2 1.084 CV 1 OR { 603} ( segid " " and resid 45 and name HD2%) ( segid " " and resid 74 and name HD2%) ASSI { 609} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 31 and name HG )) 2.400 0.700 0.700 peak 609 spectrum 1 weight 0.10000E+01 volume 0.51867E-02 ppm1 0.457 ppm2 1.188 CV 1 ASSI { 610} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 31 and name HB2 )) 2.600 0.800 0.800 peak 610 spectrum 1 weight 0.10000E+01 volume 0.37091E-02 ppm1 0.457 ppm2 1.029 CV 1 ASSI { 611} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 26 and name HG )) 2.300 0.700 0.700 peak 611 spectrum 1 weight 0.10000E+01 volume 0.64751E-02 ppm1 0.690 ppm2 1.572 CV 1 ASSI { 613} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 14 and name HB2 )) 2.500 0.800 0.800 peak 613 spectrum 1 weight 0.10000E+01 volume 0.39080E-02 ppm1 0.758 ppm2 1.438 CV 1 ASSI { 614} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 82 and name HB1 )) 3.700 1.700 1.700 peak 614 spectrum 1 weight 0.10000E+01 volume 0.22156E-02 ppm1 0.882 ppm2 2.007 CV 1 ASSI { 617} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 74 and name HB2 )) 2.800 1.000 1.000 peak 617 spectrum 1 weight 0.10000E+01 volume 0.31968E-02 ppm1 1.130 ppm2 1.703 CV 1 ASSI { 621} ( segid " " and resid 68 and name HG1%) ( segid " " and resid 45 and name HD2%) 4.000 2.000 2.000 peak 621 spectrum 1 weight 0.10000E+01 volume 0.10880E-02 ppm1 1.129 ppm2 0.354 CV 1 ASSI { 622} ( segid " " and resid 68 and name HG1%) ( segid " " and resid 45 and name HD1%) 4.200 2.200 1.800 peak 622 spectrum 1 weight 0.10000E+01 volume 0.97718E-03 ppm1 1.132 ppm2 0.231 CV 1 ASSI { 624} ( segid " " and resid 14 and name HD1%) ( segid " " and resid 45 and name HD1%) 3.700 3.700 2.300 peak 624 spectrum 1 weight 0.10000E+01 volume 0.15577E-02 ppm1 0.758 ppm2 0.235 CV 1 ASSI { 629} ( segid " " and resid 7 and name HG2%) ( segid " " and resid 31 and name HD1%) 2.600 0.900 0.900 peak 629 spectrum 1 weight 0.10000E+01 volume 0.42017E-02 ppm1 1.383 ppm2 0.455 CV 1 ASSI { 630} ( segid " " and resid 82 and name HD2%) (( segid " " and resid 82 and name HB2 )) 2.800 1.000 1.000 peak 630 spectrum 1 weight 0.10000E+01 volume 0.66972E-02 ppm1 0.985 ppm2 1.560 CV 1 ASSI { 631} ( segid " " and resid 52 and name HD2%) ( segid " " and resid 5 and name HD1%) 2.500 0.800 0.800 peak 631 spectrum 1 weight 0.10000E+01 volume 0.55353E-02 ppm1 1.036 ppm2 0.628 CV 1 OR { 631} ( segid " " and resid 52 and name HD2%) ( segid " " and resid 5 and name HD2%) ASSI { 632} ( segid " " and resid 82 and name HD2%) (( segid " " and resid 82 and name HG )) 2.300 0.700 0.700 peak 632 spectrum 1 weight 0.10000E+01 volume 0.59251E-02 ppm1 0.985 ppm2 1.838 CV 1 ASSI { 638} ( segid " " and resid 14 and name HD1%) ( segid " " and resid 45 and name HD2%) 3.800 1.800 1.800 peak 638 spectrum 1 weight 0.10000E+01 volume 0.77320E-03 ppm1 0.757 ppm2 0.350 CV 1 ASSI { 640} ( segid " " and resid 14 and name HD1%) ( segid " " and resid 10 and name HD1%) 2.800 1.000 1.000 peak 640 spectrum 1 weight 0.10000E+01 volume 0.29841E-02 ppm1 0.757 ppm2 1.024 CV 1 ASSI { 641} ( segid " " and resid 14 and name HD1%) ( segid " " and resid 14 and name HD2%) 2.400 0.700 0.700 peak 641 spectrum 1 weight 0.10000E+01 volume 0.66274E-02 ppm1 0.757 ppm2 0.876 CV 1 ASSI { 643} ( segid " " and resid 26 and name HD1%) ( segid " " and resid 38 and name HG2%) 2.600 0.900 0.900 peak 643 spectrum 1 weight 0.10000E+01 volume 0.43497E-02 ppm1 0.689 ppm2 1.049 CV 1 ASSI { 645} ( segid " " and resid 31 and name HD1%) ( segid " " and resid 31 and name HD2%) 2.300 0.700 0.700 peak 645 spectrum 1 weight 0.10000E+01 volume 0.98198E-02 ppm1 0.457 ppm2 0.785 CV 1 ASSI { 648} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 45 and name HG )) 2.300 0.600 0.600 peak 648 spectrum 1 weight 0.10000E+01 volume 0.51154E-02 ppm1 0.351 ppm2 1.344 CV 1 ASSI { 649} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 45 and name HB2 )) 2.700 0.900 0.900 peak 649 spectrum 1 weight 0.10000E+01 volume 0.29137E-02 ppm1 0.234 ppm2 1.506 CV 1 ASSI { 650} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 45 and name HG )) 2.300 0.700 0.700 peak 650 spectrum 1 weight 0.10000E+01 volume 0.50574E-02 ppm1 0.233 ppm2 1.351 CV 1 ASSI { 653} ( segid " " and resid 26 and name HD1%) ( segid " " and resid 26 and name HD2%) 2.500 0.800 0.800 peak 653 spectrum 1 weight 0.10000E+01 volume 0.51655E-02 ppm1 0.689 ppm2 0.799 CV 1 ASSI { 657} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 4 and name HB2 )) 2.600 0.900 0.900 peak 657 spectrum 1 weight 0.10000E+01 volume 0.45467E-02 ppm1 0.881 ppm2 1.471 CV 1 ASSI { 668} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 10 and name HB1 )) 3.300 1.400 1.400 peak 668 spectrum 1 weight 0.10000E+01 volume 0.29199E-02 ppm1 1.043 ppm2 2.330 CV 1 ASSI { 669} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 71 and name HB1 )) 3.600 1.600 1.600 peak 669 spectrum 1 weight 0.10000E+01 volume 0.23483E-02 ppm1 0.458 ppm2 2.232 CV 1 ASSI { 670} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 71 and name HB2 )) 2.800 1.000 1.000 peak 670 spectrum 1 weight 0.10000E+01 volume 0.33583E-02 ppm1 0.457 ppm2 2.015 CV 1 ASSI { 671} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 72 and name HB1 )) 4.200 2.200 1.800 peak 671 spectrum 1 weight 0.10000E+01 volume 0.14404E-02 ppm1 0.458 ppm2 1.871 CV 1 ASSI { 673} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 45 and name HB1 )) 2.600 0.800 0.800 peak 673 spectrum 1 weight 0.10000E+01 volume 0.27122E-02 ppm1 0.352 ppm2 1.634 CV 1 ASSI { 674} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 45 and name HB1 )) 2.600 0.800 0.800 peak 674 spectrum 1 weight 0.10000E+01 volume 0.31858E-02 ppm1 0.233 ppm2 1.632 CV 1 ASSI { 675} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 14 and name HB1 )) 3.100 1.200 1.200 peak 675 spectrum 1 weight 0.10000E+01 volume 0.30383E-02 ppm1 0.758 ppm2 1.978 CV 1 ASSI { 677} ( segid " " and resid 14 and name HD1%) ( segid " " and resid 13 and name HB% ) 3.500 1.500 1.500 peak 677 spectrum 1 weight 0.10000E+01 volume 0.98926E-03 ppm1 0.759 ppm2 1.666 CV 1 ASSI { 678} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 82 and name HG )) 5.600 3.900 0.400 peak 678 spectrum 1 weight 0.10000E+01 volume 0.20892E-03 ppm1 0.881 ppm2 1.835 CV 1 ASSI { 679} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 4 and name HG )) 2.400 0.700 0.700 peak 679 spectrum 1 weight 0.10000E+01 volume 0.63006E-02 ppm1 0.882 ppm2 1.706 CV 1 ASSI { 680} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 4 and name HB1 )) 2.500 0.800 0.800 peak 680 spectrum 1 weight 0.10000E+01 volume 0.64488E-02 ppm1 0.881 ppm2 1.606 CV 1 ASSI { 681} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 14 and name HB1 )) 3.700 1.700 1.700 peak 681 spectrum 1 weight 0.10000E+01 volume 0.77305E-03 ppm1 0.691 ppm2 1.986 CV 1 ASSI { 684} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 40 and name HB2 )) 4.200 2.200 1.800 peak 684 spectrum 1 weight 0.10000E+01 volume 0.10795E-02 ppm1 0.235 ppm2 2.783 CV 1 ASSI { 687} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 40 and name HB1 )) 4.000 2.000 2.000 peak 687 spectrum 1 weight 0.10000E+01 volume 0.44360E-03 ppm1 0.236 ppm2 3.002 CV 1 ASSI { 688} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 35 and name HB2 )) 3.600 1.600 1.600 peak 688 spectrum 1 weight 0.10000E+01 volume 0.61462E-03 ppm1 0.235 ppm2 3.094 CV 1 ASSI { 690} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 30 and name HB2 )) 3.000 1.100 1.100 peak 690 spectrum 1 weight 0.10000E+01 volume 0.16481E-02 ppm1 0.691 ppm2 3.015 CV 1 ASSI { 691} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 38 and name HB )) 3.400 1.500 1.500 peak 691 spectrum 1 weight 0.10000E+01 volume 0.83656E-03 ppm1 0.692 ppm2 2.453 CV 1 ASSI { 692} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 40 and name HB1 )) 5.100 3.300 0.900 peak 692 spectrum 1 weight 0.10000E+01 volume 0.27129E-03 ppm1 0.352 ppm2 3.003 CV 1 ASSI { 694} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 79 and name HB1 )) 3.400 1.500 1.500 peak 694 spectrum 1 weight 0.10000E+01 volume 0.11524E-02 ppm1 0.883 ppm2 3.083 CV 1 ASSI { 695} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 79 and name HB2 )) 3.700 1.700 1.700 peak 695 spectrum 1 weight 0.10000E+01 volume 0.23102E-02 ppm1 0.882 ppm2 2.766 CV 1 ASSI { 696} ( segid " " and resid 82 and name HD2%) (( segid " " and resid 56 and name HB2 )) 3.900 1.900 1.900 peak 696 spectrum 1 weight 0.10000E+01 volume 0.74315E-03 ppm1 0.986 ppm2 2.788 CV 1 ASSI { 701} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 68 and name HB )) 2.100 0.500 0.500 peak 701 spectrum 1 weight 0.10000E+01 volume 0.10761E-01 ppm1 1.130 ppm2 2.407 CV 1 ASSI { 702} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 30 and name HB1 )) 3.200 1.300 1.300 peak 702 spectrum 1 weight 0.10000E+01 volume 0.23605E-02 ppm1 0.690 ppm2 3.291 CV 1 ASSI { 703} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 11 and name HA )) 4.000 2.000 2.000 peak 703 spectrum 1 weight 0.10000E+01 volume 0.29351E-03 ppm1 0.760 ppm2 3.520 CV 1 ASSI { 704} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 11 and name HA )) 4.400 2.400 1.600 peak 704 spectrum 1 weight 0.10000E+01 volume 0.33065E-03 ppm1 0.692 ppm2 3.514 CV 1 ASSI { 705} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 72 and name HA )) 3.300 1.300 1.300 peak 705 spectrum 1 weight 0.10000E+01 volume 0.28259E-02 ppm1 0.457 ppm2 3.605 CV 1 ASSI { 709} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 65 and name HA )) 3.800 1.800 1.800 peak 709 spectrum 1 weight 0.10000E+01 volume 0.55693E-03 ppm1 0.351 ppm2 3.992 CV 1 ASSI { 710} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 45 and name HA )) 2.500 0.800 0.800 peak 710 spectrum 1 weight 0.10000E+01 volume 0.34247E-02 ppm1 0.352 ppm2 3.889 CV 1 ASSI { 712} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 65 and name HA )) 3.800 1.800 1.800 peak 712 spectrum 1 weight 0.10000E+01 volume 0.71748E-03 ppm1 0.232 ppm2 3.986 CV 1 ASSI { 715} ( segid " " and resid 82 and name HD2%) (( segid " " and resid 56 and name HB1 )) 2.700 0.900 0.900 peak 715 spectrum 1 weight 0.10000E+01 volume 0.21625E-02 ppm1 0.985 ppm2 3.453 CV 1 ASSI { 719} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 7 and name HA )) 2.600 0.800 0.800 peak 719 spectrum 1 weight 0.10000E+01 volume 0.46602E-02 ppm1 1.382 ppm2 3.865 CV 1 ASSI { 729} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 26 and name HA )) 2.300 0.600 0.600 peak 729 spectrum 1 weight 0.10000E+01 volume 0.88108E-02 ppm1 0.690 ppm2 4.362 CV 1 ASSI { 734} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 4 and name HA )) 3.100 1.200 1.200 peak 734 spectrum 1 weight 0.10000E+01 volume 0.81043E-02 ppm1 0.881 ppm2 4.360 CV 1 ASSI { 735} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 79 and name HA )) 3.800 1.800 1.800 peak 735 spectrum 1 weight 0.10000E+01 volume 0.18746E-02 ppm1 0.882 ppm2 4.903 CV 1 ASSI { 737} ( segid " " and resid 82 and name HD2%) (( segid " " and resid 82 and name HA )) 2.200 0.600 0.600 peak 737 spectrum 1 weight 0.10000E+01 volume 0.11379E-01 ppm1 0.985 ppm2 4.212 CV 1 ASSI { 739} ( segid " " and resid 82 and name HD2%) (( segid " " and resid 79 and name HA )) 4.900 3.000 1.100 peak 739 spectrum 1 weight 0.10000E+01 volume 0.37256E-03 ppm1 0.990 ppm2 4.900 CV 1 ASSI { 743} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 52 and name HA )) 2.000 0.500 0.500 peak 743 spectrum 1 weight 0.10000E+01 volume 0.91598E-02 ppm1 1.034 ppm2 4.308 CV 1 ASSI { 748} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 68 and name HA )) 2.300 0.700 0.700 peak 748 spectrum 1 weight 0.10000E+01 volume 0.61637E-02 ppm1 1.130 ppm2 4.438 CV 1 ASSI { 750} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 7 and name HB )) 2.400 0.700 0.700 peak 750 spectrum 1 weight 0.10000E+01 volume 0.54976E-02 ppm1 1.383 ppm2 4.318 CV 1 ASSI { 757} ( segid " " and resid 68 and name HG1%) ( segid " " and resid 35 and name HD% ) 4.600 2.700 1.400 peak 757 spectrum 1 weight 0.10000E+01 volume 0.58451E-03 ppm1 1.129 ppm2 7.118 CV 1 ASSI { 758} ( segid " " and resid 68 and name HG1%) ( segid " " and resid 35 and name HE% ) 3.900 1.900 1.900 peak 758 spectrum 1 weight 0.10000E+01 volume 0.16562E-02 ppm1 1.130 ppm2 6.919 CV 1 ASSI { 760} ( segid " " and resid 10 and name HD1%) ( segid " " and resid 35 and name HE% ) 3.600 1.700 1.700 peak 760 spectrum 1 weight 0.10000E+01 volume 0.62159E-03 ppm1 1.041 ppm2 6.915 CV 1 ASSI { 764} ( segid " " and resid 14 and name HD1%) ( segid " " and resid 35 and name HE% ) 2.700 0.900 0.900 peak 764 spectrum 1 weight 0.10000E+01 volume 0.32184E-02 ppm1 0.758 ppm2 6.922 CV 1 ASSI { 765} ( segid " " and resid 14 and name HD1%) ( segid " " and resid 40 and name HE% ) 3.400 1.500 1.500 peak 765 spectrum 1 weight 0.10000E+01 volume 0.16821E-02 ppm1 0.757 ppm2 6.751 CV 1 ASSI { 768} ( segid " " and resid 26 and name HD1%) ( segid " " and resid 40 and name HE% ) 3.700 1.800 1.800 peak 768 spectrum 1 weight 0.10000E+01 volume 0.77640E-03 ppm1 0.690 ppm2 6.754 CV 1 ASSI { 769} ( segid " " and resid 26 and name HD1%) ( segid " " and resid 30 and name HD% ) 2.800 1.000 1.000 peak 769 spectrum 1 weight 0.10000E+01 volume 0.20495E-02 ppm1 0.690 ppm2 7.306 CV 1 ASSI { 770} ( segid " " and resid 26 and name HD1%) ( segid " " and resid 30 and name HE% ) 3.400 1.500 1.500 peak 770 spectrum 1 weight 0.10000E+01 volume 0.80496E-03 ppm1 0.688 ppm2 7.203 CV 1 ASSI { 773} ( segid " " and resid 31 and name HD1%) ( segid " " and resid 30 and name HD% ) 3.300 1.400 1.400 peak 773 spectrum 1 weight 0.10000E+01 volume 0.15253E-02 ppm1 0.457 ppm2 7.321 CV 1 OR { 773} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 30 and name HZ )) ASSI { 775} ( segid " " and resid 45 and name HD2%) ( segid " " and resid 35 and name HD% ) 3.700 1.700 1.700 peak 775 spectrum 1 weight 0.10000E+01 volume 0.12786E-02 ppm1 0.352 ppm2 7.116 CV 1 ASSI { 776} ( segid " " and resid 45 and name HD2%) ( segid " " and resid 35 and name HE% ) 3.000 1.100 1.100 peak 776 spectrum 1 weight 0.10000E+01 volume 0.16056E-02 ppm1 0.351 ppm2 6.912 CV 1 OR { 776} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 35 and name HZ )) ASSI { 777} ( segid " " and resid 45 and name HD2%) ( segid " " and resid 40 and name HE% ) 4.800 2.800 1.200 peak 777 spectrum 1 weight 0.10000E+01 volume 0.41110E-03 ppm1 0.350 ppm2 6.749 CV 1 ASSI { 778} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 68 and name HN )) 5.100 3.300 0.900 peak 778 spectrum 1 weight 0.10000E+01 volume 0.33795E-03 ppm1 0.353 ppm2 7.330 CV 1 ASSI { 780} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 40 and name HE% ) 5.400 3.600 0.600 peak 780 spectrum 1 weight 0.10000E+01 volume 0.42213E-03 ppm1 0.233 ppm2 6.745 CV 1 ASSI { 781} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 35 and name HD% ) 3.500 1.500 1.500 peak 781 spectrum 1 weight 0.10000E+01 volume 0.94532E-03 ppm1 0.234 ppm2 7.108 CV 1 ASSI { 782} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 68 and name HN )) 4.700 2.800 1.300 peak 782 spectrum 1 weight 0.10000E+01 volume 0.38245E-03 ppm1 0.233 ppm2 7.317 CV 1 ASSI { 784} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 79 and name HD21)) 4.400 2.500 1.600 peak 784 spectrum 1 weight 0.10000E+01 volume 0.49450E-03 ppm1 0.882 ppm2 7.333 CV 1 ASSI { 785} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 79 and name HD22)) 4.700 2.800 1.300 peak 785 spectrum 1 weight 0.10000E+01 volume 0.44830E-03 ppm1 0.883 ppm2 7.663 CV 1 ASSI { 786} ( segid " " and resid 82 and name HD2%) ( segid " " and resid 56 and name HD% ) 3.700 1.700 1.700 peak 786 spectrum 1 weight 0.10000E+01 volume 0.10347E-02 ppm1 0.985 ppm2 7.440 CV 1 ASSI { 787} ( segid " " and resid 52 and name HD2%) ( segid " " and resid 56 and name HD% ) 3.000 1.100 1.100 peak 787 spectrum 1 weight 0.10000E+01 volume 0.31072E-02 ppm1 1.033 ppm2 7.436 CV 1 ASSI { 789} ( segid " " and resid 10 and name HD1%) ( segid " " and resid 30 and name HE% ) 4.400 2.400 1.600 peak 789 spectrum 1 weight 0.10000E+01 volume 0.51620E-03 ppm1 1.041 ppm2 7.217 CV 1 ASSI { 791} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 68 and name HN )) 2.500 0.800 0.800 peak 791 spectrum 1 weight 0.10000E+01 volume 0.30001E-02 ppm1 1.130 ppm2 7.325 CV 1 ASSI { 793} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 73 and name HN )) 4.900 3.000 1.100 peak 793 spectrum 1 weight 0.10000E+01 volume 0.43763E-03 ppm1 1.130 ppm2 7.829 CV 1 ASSI { 794} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 74 and name HN )) 3.200 1.300 1.300 peak 794 spectrum 1 weight 0.10000E+01 volume 0.15429E-02 ppm1 1.129 ppm2 7.713 CV 1 ASSI { 795} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 30 and name HZ )) 3.000 1.100 1.100 peak 795 spectrum 1 weight 0.10000E+01 volume 0.29802E-02 ppm1 1.381 ppm2 7.326 CV 1 OR { 795} ( segid " " and resid 7 and name HG2%) ( segid " " and resid 30 and name HD% ) ASSI { 796} ( segid " " and resid 7 and name HG2%) ( segid " " and resid 30 and name HE% ) 2.500 0.800 0.800 peak 796 spectrum 1 weight 0.10000E+01 volume 0.39446E-02 ppm1 1.383 ppm2 7.210 CV 1 ASSI { 799} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 83 and name HN )) 3.800 1.800 1.800 peak 799 spectrum 1 weight 0.10000E+01 volume 0.96360E-03 ppm1 0.881 ppm2 7.958 CV 1 ASSI { 800} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 14 and name HN )) 3.000 1.100 1.100 peak 800 spectrum 1 weight 0.10000E+01 volume 0.14187E-02 ppm1 0.757 ppm2 8.403 CV 1 ASSI { 801} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 27 and name HN )) 4.500 2.500 1.500 peak 801 spectrum 1 weight 0.10000E+01 volume 0.58172E-03 ppm1 0.688 ppm2 8.233 CV 1 ASSI { 808} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 46 and name HN )) 5.000 3.200 1.000 peak 808 spectrum 1 weight 0.10000E+01 volume 0.40116E-03 ppm1 0.229 ppm2 8.238 CV 1 ASSI { 811} ( segid " " and resid 82 and name HD2%) (( segid " " and resid 82 and name HN )) 3.500 1.600 1.600 peak 811 spectrum 1 weight 0.10000E+01 volume 0.15529E-02 ppm1 0.986 ppm2 8.277 CV 1 ASSI { 818} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 8 and name HN )) 3.800 1.800 1.800 peak 818 spectrum 1 weight 0.10000E+01 volume 0.94325E-03 ppm1 1.384 ppm2 8.241 CV 1 ASSI { 819} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 72 and name HN )) 3.900 1.900 1.900 peak 819 spectrum 1 weight 0.10000E+01 volume 0.12276E-02 ppm1 0.454 ppm2 9.000 CV 1 ASSI { 822} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 69 and name HN )) 4.000 2.000 2.000 peak 822 spectrum 1 weight 0.10000E+01 volume 0.19507E-02 ppm1 1.130 ppm2 9.096 CV 1 ASSI { 824} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 5 and name HN )) 4.300 2.300 1.700 peak 824 spectrum 1 weight 0.10000E+01 volume 0.15440E-02 ppm1 0.880 ppm2 9.427 CV 1 ASSI { 826} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 11 and name HN )) 4.800 2.900 1.200 peak 826 spectrum 1 weight 0.10000E+01 volume 0.37536E-03 ppm1 1.036 ppm2 8.839 CV 1 ASSI { 828} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 53 and name HN )) 5.100 3.200 0.900 peak 828 spectrum 1 weight 0.10000E+01 volume 0.35630E-03 ppm1 1.036 ppm2 8.951 CV 1 ASSI { 830} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 27 and name HB2 )) 4.800 2.900 1.200 peak 830 spectrum 1 weight 0.10000E+01 volume 0.22850E-03 ppm1 1.386 ppm2 3.976 CV 1 ASSI { 831} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 35 and name HB2 )) 4.700 2.800 1.300 peak 831 spectrum 1 weight 0.10000E+01 volume 0.58549E-03 ppm1 0.350 ppm2 3.095 CV 1 ASSI { 834} ( segid " " and resid 5 and name HD1%) ( segid " " and resid 52 and name HD2%) 2.400 0.700 0.700 peak 834 spectrum 1 weight 0.10000E+01 volume 0.46911E-02 ppm1 0.603 ppm2 1.032 CV 1 ASSI { 835} ( segid " " and resid 5 and name HD2%) ( segid " " and resid 82 and name HD2%) 2.700 0.900 0.900 peak 835 spectrum 1 weight 0.10000E+01 volume 0.57625E-02 ppm1 0.643 ppm2 1.002 CV 1 OR { 835} ( segid " " and resid 5 and name HD2%) ( segid " " and resid 82 and name HD1%) ASSI { 843} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 5 and name HG )) 2.200 0.600 0.600 peak 843 spectrum 1 weight 0.10000E+01 volume 0.67901E-02 ppm1 0.603 ppm2 1.568 CV 1 OR { 843} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 5 and name HB1 )) ASSI { 844} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 5 and name HB2 )) 3.400 1.400 1.400 peak 844 spectrum 1 weight 0.10000E+01 volume 0.25077E-02 ppm1 0.642 ppm2 1.371 CV 1 ASSI { 845} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 5 and name HB2 )) 2.600 0.800 0.800 peak 845 spectrum 1 weight 0.10000E+01 volume 0.26933E-02 ppm1 0.603 ppm2 1.357 CV 1 ASSI { 849} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 78 and name HB )) 4.600 2.600 1.400 peak 849 spectrum 1 weight 0.10000E+01 volume 0.77718E-03 ppm1 0.641 ppm2 1.938 CV 1 ASSI { 850} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 78 and name HB )) 3.100 1.200 1.200 peak 850 spectrum 1 weight 0.10000E+01 volume 0.11965E-02 ppm1 0.604 ppm2 1.934 CV 1 ASSI { 852} ( segid " " and resid 31 and name HD2%) ( segid " " and resid 7 and name HG2%) 3.000 1.100 1.100 peak 852 spectrum 1 weight 0.10000E+01 volume 0.26687E-02 ppm1 0.777 ppm2 1.379 CV 1 ASSI { 854} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 5 and name HB2 )) 2.200 0.600 0.600 peak 854 spectrum 1 weight 0.10000E+01 volume 0.36699E-02 ppm1 0.793 ppm2 1.369 CV 1 ASSI { 855} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 75 and name HB1 )) 4.300 2.300 1.700 peak 855 spectrum 1 weight 0.10000E+01 volume 0.28951E-03 ppm1 0.780 ppm2 2.213 CV 1 ASSI { 856} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 10 and name HB1 )) 3.600 1.600 1.600 peak 856 spectrum 1 weight 0.10000E+01 volume 0.15579E-02 ppm1 0.792 ppm2 2.326 CV 1 ASSI { 857} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 75 and name HB1 )) 3.700 1.700 1.700 peak 857 spectrum 1 weight 0.10000E+01 volume 0.16160E-02 ppm1 0.793 ppm2 2.192 CV 1 ASSI { 859} ( segid " " and resid 43 and name HD2%) (( segid " " and resid 43 and name HB1 )) 2.800 1.000 1.000 peak 859 spectrum 1 weight 0.10000E+01 volume 0.26069E-02 ppm1 1.058 ppm2 1.871 CV 1 ASSI { 860} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 43 and name HB2 )) 2.700 0.900 0.900 peak 860 spectrum 1 weight 0.10000E+01 volume 0.35853E-02 ppm1 1.008 ppm2 1.832 CV 1 ASSI { 861} ( segid " " and resid 43 and name HD2%) (( segid " " and resid 43 and name HG )) 2.600 0.900 0.900 peak 861 spectrum 1 weight 0.10000E+01 volume 0.28769E-02 ppm1 1.056 ppm2 1.727 CV 1 ASSI { 862} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 43 and name HG )) 2.600 0.800 0.800 peak 862 spectrum 1 weight 0.10000E+01 volume 0.37919E-02 ppm1 1.006 ppm2 1.730 CV 1 ASSI { 866} ( segid " " and resid 43 and name HD2%) (( segid " " and resid 43 and name HA )) 2.500 0.800 0.800 peak 866 spectrum 1 weight 0.10000E+01 volume 0.40601E-02 ppm1 1.057 ppm2 4.268 CV 1 ASSI { 867} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 43 and name HA )) 3.700 1.700 1.700 peak 867 spectrum 1 weight 0.10000E+01 volume 0.36096E-02 ppm1 1.006 ppm2 4.269 CV 1 ASSI { 868} ( segid " " and resid 75 and name HD1%) ( segid " " and resid 5 and name HD1%) 3.100 1.200 1.200 peak 868 spectrum 1 weight 0.10000E+01 volume 0.26499E-02 ppm1 0.791 ppm2 0.602 CV 1 ASSI { 874} ( segid " " and resid 4 and name HD2%) (( segid " " and resid 4 and name HA )) 3.000 1.200 1.200 peak 874 spectrum 1 weight 0.10000E+01 volume 0.10255E-02 ppm1 0.952 ppm2 4.377 CV 1 ASSI { 876} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 75 and name HA )) 2.200 0.600 0.600 peak 876 spectrum 1 weight 0.10000E+01 volume 0.78291E-02 ppm1 0.792 ppm2 3.883 CV 1 ASSI { 877} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 9 and name HB1 )) 2.800 1.000 1.000 peak 877 spectrum 1 weight 0.10000E+01 volume 0.18312E-02 ppm1 0.644 ppm2 3.033 CV 1 ASSI { 882} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 5 and name HA )) 2.600 0.900 0.900 peak 882 spectrum 1 weight 0.10000E+01 volume 0.27954E-02 ppm1 0.644 ppm2 4.526 CV 1 ASSI { 884} ( segid " " and resid 5 and name HD2%) ( segid " " and resid 56 and name HD% ) 3.400 1.400 1.400 peak 884 spectrum 1 weight 0.10000E+01 volume 0.10706E-02 ppm1 0.644 ppm2 7.438 CV 1 ASSI { 885} ( segid " " and resid 5 and name HD1%) ( segid " " and resid 56 and name HD% ) 3.400 1.500 1.500 peak 885 spectrum 1 weight 0.10000E+01 volume 0.64849E-03 ppm1 0.603 ppm2 7.435 CV 1 ASSI { 887} ( segid " " and resid 5 and name HD2%) ( segid " " and resid 56 and name HE% ) 2.900 1.100 1.100 peak 887 spectrum 1 weight 0.10000E+01 volume 0.16655E-02 ppm1 0.643 ppm2 6.809 CV 1 ASSI { 888} ( segid " " and resid 5 and name HD1%) ( segid " " and resid 56 and name HE% ) 3.300 1.300 1.300 peak 888 spectrum 1 weight 0.10000E+01 volume 0.83367E-03 ppm1 0.604 ppm2 6.809 CV 1 ASSI { 889} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 79 and name HD21)) 3.500 1.500 1.500 peak 889 spectrum 1 weight 0.10000E+01 volume 0.31672E-02 ppm1 0.792 ppm2 7.329 CV 1 ASSI { 890} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 10 and name HN )) 4.900 3.000 1.100 peak 890 spectrum 1 weight 0.10000E+01 volume 0.67493E-03 ppm1 0.643 ppm2 8.068 CV 1 ASSI { 893} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 79 and name HD22)) 2.800 1.000 1.000 peak 893 spectrum 1 weight 0.10000E+01 volume 0.19818E-02 ppm1 0.793 ppm2 7.669 CV 1 ASSI { 895} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 43 and name HN )) 4.700 2.800 1.300 peak 895 spectrum 1 weight 0.10000E+01 volume 0.73137E-03 ppm1 1.004 ppm2 7.777 CV 1 ASSI { 896} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 5 and name HN )) 3.800 1.800 1.800 peak 896 spectrum 1 weight 0.10000E+01 volume 0.88944E-03 ppm1 0.642 ppm2 9.434 CV 1 ASSI { 897} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 6 and name HN )) 4.100 2.100 1.900 peak 897 spectrum 1 weight 0.10000E+01 volume 0.13430E-02 ppm1 0.644 ppm2 9.030 CV 1 ASSI { 898} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 6 and name HN )) 5.200 3.400 0.800 peak 898 spectrum 1 weight 0.10000E+01 volume 0.45971E-03 ppm1 0.602 ppm2 9.032 CV 1 ASSI { 899} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 5 and name HN )) 4.300 2.300 1.700 peak 899 spectrum 1 weight 0.10000E+01 volume 0.74356E-03 ppm1 0.792 ppm2 9.431 CV 1 ASSI { 901} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 75 and name HN )) 4.400 2.400 1.600 peak 901 spectrum 1 weight 0.10000E+01 volume 0.88025E-03 ppm1 0.792 ppm2 8.721 CV 1 ASSI { 922} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 6 and name HA )) 4.100 2.100 1.900 peak 922 spectrum 1 weight 0.10000E+01 volume 0.31976E-03 ppm1 0.793 ppm2 4.771 CV 1 ASSI { 923} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 5 and name HA )) 4.400 2.400 1.600 peak 923 spectrum 1 weight 0.10000E+01 volume 0.55172E-03 ppm1 0.793 ppm2 4.520 CV 1 ASSI { 926} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 4 and name HA )) 4.300 2.300 1.700 peak 926 spectrum 1 weight 0.10000E+01 volume 0.66181E-03 ppm1 0.643 ppm2 4.347 CV 1 ASSI { 927} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 52 and name HA )) 4.900 2.900 1.100 peak 927 spectrum 1 weight 0.10000E+01 volume 0.31774E-03 ppm1 0.610 ppm2 4.329 CV 1 ASSI { 928} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 79 and name HA )) 5.900 4.400 0.100 peak 928 spectrum 1 weight 0.10000E+01 volume 0.13667E-03 ppm1 0.638 ppm2 4.903 CV 1 ASSI { 933} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 42 and name H28B)) 3.700 1.700 1.700 peak 933 spectrum 1 weight 0.10000E+01 volume 0.63956E-03 ppm1 1.007 ppm2 3.913 CV 1 ASSI { 938} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 9 and name HB2 )) 3.500 1.500 1.500 peak 938 spectrum 1 weight 0.10000E+01 volume 0.19632E-02 ppm1 0.644 ppm2 2.697 CV 1 ASSI { 939} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 9 and name HB2 )) 3.900 1.900 1.900 peak 939 spectrum 1 weight 0.10000E+01 volume 0.84524E-03 ppm1 0.606 ppm2 2.695 CV 1 ASSI { 957} ( segid " " and resid 26 and name HD2%) ( segid " " and resid 40 and name HE% ) 3.800 1.800 1.800 peak 957 spectrum 1 weight 0.10000E+01 volume 0.63987E-03 ppm1 0.800 ppm2 6.750 CV 1 ASSI { 958} ( segid " " and resid 14 and name HD2%) ( segid " " and resid 35 and name HE% ) 3.000 1.100 1.100 peak 958 spectrum 1 weight 0.10000E+01 volume 0.14148E-02 ppm1 0.892 ppm2 6.917 CV 1 ASSI { 959} ( segid " " and resid 14 and name HD2%) ( segid " " and resid 40 and name HE% ) 4.100 2.100 1.900 peak 959 spectrum 1 weight 0.10000E+01 volume 0.33040E-03 ppm1 0.888 ppm2 6.752 CV 1 ASSI { 960} ( segid " " and resid 52 and name HD1%) ( segid " " and resid 56 and name HE% ) 4.800 2.900 1.200 peak 960 spectrum 1 weight 0.10000E+01 volume 0.47583E-03 ppm1 0.864 ppm2 6.808 CV 1 ASSI { 961} (( segid " " and resid 74 and name HG )) (( segid " " and resid 35 and name HZ )) 3.100 1.200 1.200 peak 961 spectrum 1 weight 0.10000E+01 volume 0.21573E-02 ppm1 0.976 ppm2 6.886 CV 1 ASSI { 962} ( segid " " and resid 33 and name HD2%) ( segid " " and resid 30 and name HD% ) 4.700 2.800 1.300 peak 962 spectrum 1 weight 0.10000E+01 volume 0.53504E-03 ppm1 1.060 ppm2 7.309 CV 1 ASSI { 964} (( segid " " and resid 71 and name HG2 )) ( segid " " and resid 30 and name HD% ) 2.800 1.000 1.000 peak 964 spectrum 1 weight 0.10000E+01 volume 0.10463E-02 ppm1 1.311 ppm2 7.306 CV 1 ASSI { 965} (( segid " " and resid 71 and name HG2 )) ( segid " " and resid 30 and name HE% ) 3.700 1.700 1.700 peak 965 spectrum 1 weight 0.10000E+01 volume 0.48816E-03 ppm1 1.313 ppm2 7.207 CV 1 ASSI { 967} (( segid " " and resid 71 and name HG1 )) ( segid " " and resid 30 and name HE% ) 3.700 1.700 1.700 peak 967 spectrum 1 weight 0.10000E+01 volume 0.72745E-03 ppm1 2.179 ppm2 7.205 CV 1 ASSI { 971} (( segid " " and resid 52 and name HG )) (( segid " " and resid 52 and name HN )) 2.400 0.700 0.700 peak 971 spectrum 1 weight 0.10000E+01 volume 0.29659E-02 ppm1 2.039 ppm2 8.414 CV 1 ASSI { 972} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 5 and name HN )) 3.400 1.400 1.400 peak 972 spectrum 1 weight 0.10000E+01 volume 0.10260E-02 ppm1 0.982 ppm2 9.425 CV 1 ASSI { 973} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 53 and name HN )) 4.600 2.700 1.400 peak 973 spectrum 1 weight 0.10000E+01 volume 0.63816E-03 ppm1 0.861 ppm2 8.962 CV 1 ASSI { 978} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 14 and name HN )) 3.900 1.900 1.900 peak 978 spectrum 1 weight 0.10000E+01 volume 0.12421E-02 ppm1 0.889 ppm2 8.400 CV 1 ASSI { 979} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 52 and name HN )) 3.600 1.600 1.600 peak 979 spectrum 1 weight 0.10000E+01 volume 0.23844E-02 ppm1 0.862 ppm2 8.413 CV 1 ASSI { 980} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 78 and name HN )) 5.700 4.100 0.300 peak 980 spectrum 1 weight 0.10000E+01 volume 0.32215E-03 ppm1 0.868 ppm2 8.263 CV 1 ASSI { 982} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 82 and name HN )) 4.200 2.200 1.800 peak 982 spectrum 1 weight 0.10000E+01 volume 0.78472E-03 ppm1 0.980 ppm2 8.274 CV 1 ASSI { 986} ( segid " " and resid 33 and name HD2%) (( segid " " and resid 32 and name HN )) 4.800 2.900 1.200 peak 986 spectrum 1 weight 0.10000E+01 volume 0.37140E-03 ppm1 1.057 ppm2 8.045 CV 1 ASSI { 991} (( segid " " and resid 74 and name HG )) (( segid " " and resid 74 and name HN )) 5.000 3.100 1.000 peak 991 spectrum 1 weight 0.10000E+01 volume 0.43968E-03 ppm1 0.975 ppm2 7.719 CV 1 ASSI { 993} ( segid " " and resid 82 and name HD1%) ( segid " " and resid 56 and name HD% ) 3.600 1.600 1.600 peak 993 spectrum 1 weight 0.10000E+01 volume 0.78079E-03 ppm1 0.982 ppm2 7.439 CV 1 ASSI { 994} ( segid " " and resid 14 and name HD2%) ( segid " " and resid 30 and name HE% ) 2.800 1.000 1.000 peak 994 spectrum 1 weight 0.10000E+01 volume 0.21349E-02 ppm1 0.892 ppm2 7.211 CV 1 ASSI { 996} ( segid " " and resid 52 and name HD1%) ( segid " " and resid 56 and name HD% ) 4.600 2.600 1.400 peak 996 spectrum 1 weight 0.10000E+01 volume 0.53690E-03 ppm1 0.862 ppm2 7.439 CV 1 ASSI { 998} ( segid " " and resid 26 and name HD2%) ( segid " " and resid 30 and name HE% ) 4.200 2.200 1.800 peak 998 spectrum 1 weight 0.10000E+01 volume 0.42900E-03 ppm1 0.795 ppm2 7.209 CV 1 ASSI { 999} ( segid " " and resid 26 and name HD2%) ( segid " " and resid 30 and name HD% ) 4.000 2.000 2.000 peak 999 spectrum 1 weight 0.10000E+01 volume 0.68862E-03 ppm1 0.801 ppm2 7.312 CV 1 OR { 999} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 30 and name HZ )) ASSI { 1001} (( segid " " and resid 71 and name HG2 )) ( segid " " and resid 35 and name HE% ) 4.300 2.300 1.700 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.11001E-02 ppm1 1.313 ppm2 6.908 CV 1 OR { 1001} (( segid " " and resid 71 and name HG2 )) (( segid " " and resid 35 and name HZ )) ASSI { 1002} (( segid " " and resid 71 and name HG1 )) ( segid " " and resid 35 and name HE% ) 3.400 1.500 1.500 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.60083E-03 ppm1 2.179 ppm2 6.919 CV 1 ASSI { 1003} (( segid " " and resid 71 and name HG1 )) ( segid " " and resid 35 and name HE% ) 3.700 1.700 1.700 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.52549E-03 ppm1 2.180 ppm2 6.892 CV 1 OR { 1003} (( segid " " and resid 71 and name HG1 )) (( segid " " and resid 35 and name HZ )) ASSI { 1004} (( segid " " and resid 71 and name HG1 )) (( segid " " and resid 70 and name HA )) 5.300 3.600 0.700 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.33305E-03 ppm1 2.178 ppm2 4.952 CV 1 ASSI { 1006} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 79 and name HA )) 2.800 1.000 1.000 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.21530E-02 ppm1 0.982 ppm2 4.906 CV 1 ASSI { 1009} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 4 and name HA )) 2.700 0.900 0.900 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.30760E-02 ppm1 0.981 ppm2 4.361 CV 1 ASSI { 1016} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 52 and name HA )) 3.700 1.700 1.700 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.18084E-02 ppm1 0.864 ppm2 4.307 CV 1 ASSI { 1018} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 26 and name HA )) 3.600 1.700 1.700 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.17338E-02 ppm1 0.799 ppm2 4.362 CV 1 ASSI { 1022} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 49 and name HA )) 2.700 0.900 0.900 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.23802E-02 ppm1 0.864 ppm2 3.942 CV 1 ASSI { 1030} (( segid " " and resid 71 and name HG1 )) (( segid " " and resid 71 and name HD1 )) 2.600 0.900 0.900 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.14422E-02 ppm1 2.179 ppm2 4.020 CV 1 ASSI { 1031} (( segid " " and resid 71 and name HG1 )) (( segid " " and resid 71 and name HA )) 3.300 1.300 1.300 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.82784E-03 ppm1 2.176 ppm2 4.225 CV 1 ASSI { 1032} (( segid " " and resid 52 and name HG )) (( segid " " and resid 52 and name HA )) 3.300 1.400 1.400 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.11354E-02 ppm1 2.042 ppm2 4.302 CV 1 ASSI { 1035} (( segid " " and resid 71 and name HG1 )) (( segid " " and resid 31 and name HA )) 4.400 2.400 1.600 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.96107E-03 ppm1 2.179 ppm2 3.293 CV 1 ASSI { 1037} (( segid " " and resid 71 and name HG2 )) (( segid " " and resid 71 and name HD2 )) 2.600 0.800 0.800 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.16838E-02 ppm1 1.314 ppm2 2.809 CV 1 ASSI { 1038} (( segid " " and resid 71 and name HG2 )) (( segid " " and resid 31 and name HA )) 3.300 1.400 1.400 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.59453E-03 ppm1 1.314 ppm2 3.306 CV 1 ASSI { 1043} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 56 and name HB1 )) 3.800 1.800 1.800 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.52130E-03 ppm1 0.984 ppm2 3.450 CV 1 ASSI { 1045} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 11 and name HA )) 3.300 1.300 1.300 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.18145E-02 ppm1 0.893 ppm2 3.520 CV 1 ASSI { 1046} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 72 and name HA )) 3.300 1.400 1.400 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.13262E-02 ppm1 0.872 ppm2 3.606 CV 1 ASSI { 1052} (( segid " " and resid 74 and name HG )) (( segid " " and resid 74 and name HB1 )) 2.600 0.800 0.800 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.32449E-02 ppm1 0.976 ppm2 2.424 CV 1 ASSI { 1055} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 52 and name HG )) 2.000 0.500 0.500 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.10971E-01 ppm1 0.863 ppm2 2.039 CV 1 ASSI { 1058} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 52 and name HB2 )) 2.400 0.700 0.700 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.42853E-02 ppm1 0.865 ppm2 1.446 CV 1 ASSI { 1059} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 14 and name HB1 )) 3.100 1.200 1.200 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.94635E-03 ppm1 0.798 ppm2 1.985 CV 1 ASSI { 1060} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 38 and name HG11)) 4.500 2.500 1.500 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.33688E-03 ppm1 0.802 ppm2 1.851 CV 1 ASSI { 1061} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 26 and name HG )) 2.200 0.600 0.600 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.92920E-02 ppm1 0.799 ppm2 1.576 CV 1 ASSI { 1064} ( segid " " and resid 33 and name HD2%) (( segid " " and resid 33 and name HG )) 2.300 0.600 0.600 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.71913E-02 ppm1 1.057 ppm2 1.775 CV 1 OR { 1064} ( segid " " and resid 33 and name HD2%) (( segid " " and resid 33 and name HB1 )) ASSI { 1068} (( segid " " and resid 74 and name HG )) (( segid " " and resid 74 and name HB2 )) 2.100 0.600 0.600 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.69708E-02 ppm1 0.975 ppm2 1.697 CV 1 ASSI { 1073} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 82 and name HB1 )) 2.900 1.000 1.000 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.27501E-02 ppm1 0.982 ppm2 2.011 CV 1 ASSI { 1077} ( segid " " and resid 33 and name HD2%) (( segid " " and resid 33 and name HB2 )) 3.400 1.400 1.400 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.25455E-02 ppm1 1.058 ppm2 1.411 CV 1 ASSI { 1079} (( segid " " and resid 71 and name HG2 )) (( segid " " and resid 71 and name HB2 )) 2.600 0.900 0.900 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.15984E-02 ppm1 1.311 ppm2 2.008 CV 1 ASSI { 1080} (( segid " " and resid 52 and name HG )) ( segid " " and resid 13 and name HB% ) 3.200 1.200 1.200 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.10669E-02 ppm1 2.040 ppm2 1.665 CV 1 ASSI { 1083} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 26 and name HB2 )) 2.800 1.000 1.000 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.32665E-02 ppm1 0.796 ppm2 1.226 CV 1 ASSI { 1089} (( segid " " and resid 52 and name HG )) ( segid " " and resid 52 and name HD2%) 2.400 0.700 0.700 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.38415E-02 ppm1 2.040 ppm2 1.033 CV 1 ASSI { 1093} (( segid " " and resid 26 and name HG )) (( segid " " and resid 26 and name HB2 )) 3.000 1.100 1.100 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.23786E-02 ppm1 1.578 ppm2 1.243 CV 1 ASSI { 1095} ( segid " " and resid 33 and name HD2%) ( segid " " and resid 26 and name HD1%) 3.900 1.900 1.900 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.11743E-02 ppm1 1.062 ppm2 0.687 CV 1 ASSI { 1096} ( segid " " and resid 75 and name HD2%) ( segid " " and resid 31 and name HD1%) 2.400 2.400 3.600 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.29717E-02 ppm1 0.871 ppm2 0.447 CV 1 ASSI { 1098} (( segid " " and resid 74 and name HG )) ( segid " " and resid 45 and name HD2%) 3.000 1.100 1.100 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.15462E-02 ppm1 0.976 ppm2 0.356 CV 1 ASSI { 1099} (( segid " " and resid 74 and name HG )) ( segid " " and resid 45 and name HD1%) 2.900 2.900 3.100 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.81699E-03 ppm1 0.977 ppm2 0.226 CV 1 ASSI { 1100} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 11 and name HN )) 4.400 2.400 1.600 peak 1100 spectrum 1 weight 0.10000E+01 volume 0.75456E-03 ppm1 1.123 ppm2 8.841 CV 1 ASSI { 1101} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 75 and name HN )) 3.100 1.200 1.200 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.14409E-02 ppm1 1.124 ppm2 8.727 CV 1 ASSI { 1102} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 10 and name HN )) 4.700 2.800 1.300 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.69662E-03 ppm1 1.123 ppm2 8.068 CV 1 ASSI { 1105} (( segid " " and resid 31 and name HG )) (( segid " " and resid 31 and name HN )) 2.800 1.000 1.000 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.35359E-02 ppm1 1.199 ppm2 7.508 CV 1 ASSI { 1106} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 30 and name HZ )) 3.300 1.400 1.400 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.15646E-02 ppm1 1.124 ppm2 7.328 CV 1 OR { 1106} ( segid " " and resid 10 and name HD2%) ( segid " " and resid 30 and name HD% ) ASSI { 1107} ( segid " " and resid 10 and name HD2%) ( segid " " and resid 30 and name HE% ) 3.000 1.100 1.100 peak 1107 spectrum 1 weight 0.10000E+01 volume 0.23064E-02 ppm1 1.124 ppm2 7.211 CV 1 ASSI { 1108} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 35 and name HZ )) 4.500 2.500 1.500 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.45122E-03 ppm1 1.121 ppm2 6.890 CV 1 ASSI { 1110} (( segid " " and resid 72 and name HG2 )) (( segid " " and resid 72 and name HH11)) 5.000 3.100 1.000 peak 1110 spectrum 1 weight 0.10000E+01 volume 0.66197E-03 ppm1 1.509 ppm2 6.893 CV 1 OR { 1110} (( segid " " and resid 72 and name HG2 )) (( segid " " and resid 72 and name HH22)) OR { 1110} (( segid " " and resid 72 and name HG2 )) (( segid " " and resid 72 and name HH12)) OR { 1110} (( segid " " and resid 72 and name HG2 )) (( segid " " and resid 72 and name HH21)) ASSI { 1111} (( segid " " and resid 38 and name HG12)) ( segid " " and resid 40 and name HD% ) 4.300 2.300 1.700 peak 1111 spectrum 1 weight 0.10000E+01 volume 0.96272E-03 ppm1 1.536 ppm2 6.965 CV 1 ASSI { 1113} (( segid " " and resid 45 and name HG )) (( segid " " and resid 45 and name HN )) 3.500 1.500 1.500 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.22451E-02 ppm1 1.349 ppm2 8.462 CV 1 ASSI { 1121} (( segid " " and resid 4 and name HG )) (( segid " " and resid 4 and name HN )) 2.500 0.800 0.800 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.41555E-02 ppm1 1.713 ppm2 8.147 CV 1 ASSI { 1126} (( segid " " and resid 33 and name HG )) (( segid " " and resid 33 and name HN )) 2.600 0.900 0.900 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.18901E-02 ppm1 1.777 ppm2 7.208 CV 1 ASSI { 1129} (( segid " " and resid 5 and name HG )) (( segid " " and resid 5 and name HN )) 2.600 0.800 0.800 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.15479E-02 ppm1 1.557 ppm2 9.429 CV 1 ASSI { 1130} (( segid " " and resid 4 and name HG )) (( segid " " and resid 5 and name HN )) 4.700 2.800 1.300 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.66672E-03 ppm1 1.711 ppm2 9.427 CV 1 ASSI { 1133} (( segid " " and resid 38 and name HG12)) (( segid " " and resid 40 and name HN )) 4.000 2.000 2.000 peak 1133 spectrum 1 weight 0.10000E+01 volume 0.49763E-03 ppm1 1.544 ppm2 8.064 CV 1 ASSI { 1134} (( segid " " and resid 45 and name HG )) (( segid " " and resid 46 and name HN )) 4.800 2.900 1.200 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.50159E-03 ppm1 1.349 ppm2 8.223 CV 1 ASSI { 1137} (( segid " " and resid 38 and name HG12)) (( segid " " and resid 37 and name HN )) 4.300 2.400 1.700 peak 1137 spectrum 1 weight 0.10000E+01 volume 0.38603E-03 ppm1 1.541 ppm2 7.550 CV 1 ASSI { 1143} (( segid " " and resid 11 and name HG2 )) ( segid " " and resid 30 and name HE% ) 4.800 2.900 1.200 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.38635E-03 ppm1 1.164 ppm2 7.209 CV 1 ASSI { 1148} (( segid " " and resid 38 and name HG12)) ( segid " " and resid 35 and name HD% ) 4.600 2.600 1.400 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.44854E-03 ppm1 1.533 ppm2 7.108 CV 1 ASSI { 1149} (( segid " " and resid 38 and name HG11)) ( segid " " and resid 35 and name HD% ) 4.400 2.500 1.600 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.49378E-03 ppm1 1.822 ppm2 7.110 CV 1 ASSI { 1155} (( segid " " and resid 72 and name HG1 )) (( segid " " and resid 72 and name HH11)) 5.300 3.500 0.700 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.44594E-03 ppm1 1.648 ppm2 6.890 CV 1 OR { 1155} (( segid " " and resid 72 and name HG1 )) (( segid " " and resid 72 and name HH22)) OR { 1155} (( segid " " and resid 72 and name HG1 )) (( segid " " and resid 72 and name HH12)) OR { 1155} (( segid " " and resid 72 and name HG1 )) (( segid " " and resid 72 and name HH21)) ASSI { 1160} (( segid " " and resid 61 and name HG2 )) (( segid " " and resid 60 and name HA )) 4.700 2.700 1.300 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.93757E-03 ppm1 2.143 ppm2 4.652 CV 1 OR { 1160} (( segid " " and resid 61 and name HG1 )) (( segid " " and resid 60 and name HA )) ASSI { 1161} (( segid " " and resid 61 and name HG2 )) (( segid " " and resid 61 and name HA )) 3.300 1.400 1.400 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.19265E-02 ppm1 2.144 ppm2 4.525 CV 1 OR { 1161} (( segid " " and resid 61 and name HG1 )) (( segid " " and resid 61 and name HA )) ASSI { 1162} (( segid " " and resid 61 and name HG2 )) (( segid " " and resid 62 and name HN )) 5.200 3.400 0.800 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.41909E-03 ppm1 2.139 ppm2 8.819 CV 1 OR { 1162} (( segid " " and resid 61 and name HG1 )) (( segid " " and resid 62 and name HN )) ASSI { 1163} (( segid " " and resid 61 and name HG1 )) (( segid " " and resid 63 and name HN )) 5.500 3.800 0.500 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.26883E-03 ppm1 2.132 ppm2 8.622 CV 1 OR { 1163} (( segid " " and resid 61 and name HG2 )) (( segid " " and resid 63 and name HN )) ASSI { 1164} (( segid " " and resid 61 and name HG1 )) (( segid " " and resid 64 and name HN )) 5.000 3.100 1.000 peak 1164 spectrum 1 weight 0.10000E+01 volume 0.45964E-03 ppm1 2.147 ppm2 7.403 CV 1 OR { 1164} (( segid " " and resid 61 and name HG2 )) (( segid " " and resid 64 and name HN )) ASSI { 1165} (( segid " " and resid 61 and name HG2 )) (( segid " " and resid 61 and name HD1 )) 2.400 0.700 0.700 peak 1165 spectrum 1 weight 0.10000E+01 volume 0.44641E-02 ppm1 2.142 ppm2 4.010 CV 1 OR { 1165} (( segid " " and resid 61 and name HG1 )) (( segid " " and resid 61 and name HD1 )) ASSI { 1173} (( segid " " and resid 38 and name HG11)) (( segid " " and resid 38 and name HA )) 3.700 1.700 1.700 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.88805E-03 ppm1 1.825 ppm2 4.660 CV 1 ASSI { 1175} (( segid " " and resid 82 and name HG )) (( segid " " and resid 79 and name HA )) 3.500 1.500 1.500 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.52549E-03 ppm1 1.841 ppm2 4.905 CV 1 ASSI { 1176} (( segid " " and resid 33 and name HG )) (( segid " " and resid 30 and name HA )) 3.000 1.100 1.100 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.10349E-02 ppm1 1.778 ppm2 4.740 CV 1 ASSI { 1177} (( segid " " and resid 4 and name HG )) (( segid " " and resid 4 and name HA )) 3.100 1.200 1.200 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.21222E-02 ppm1 1.711 ppm2 4.358 CV 1 ASSI { 1178} (( segid " " and resid 43 and name HG )) (( segid " " and resid 43 and name HA )) 3.400 1.400 1.400 peak 1178 spectrum 1 weight 0.10000E+01 volume 0.15412E-02 ppm1 1.732 ppm2 4.269 CV 1 ASSI { 1181} (( segid " " and resid 5 and name HG )) (( segid " " and resid 5 and name HA )) 3.400 1.500 1.500 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.12813E-02 ppm1 1.558 ppm2 4.527 CV 1 ASSI { 1182} (( segid " " and resid 38 and name HG12)) (( segid " " and resid 38 and name HA )) 4.000 2.000 2.000 peak 1182 spectrum 1 weight 0.10000E+01 volume 0.66982E-03 ppm1 1.543 ppm2 4.659 CV 1 ASSI { 1183} (( segid " " and resid 60 and name HG11)) (( segid " " and resid 60 and name HA )) 3.400 1.500 1.500 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.99851E-03 ppm1 1.478 ppm2 4.651 CV 1 ASSI { 1190} (( segid " " and resid 60 and name HG12)) (( segid " " and resid 60 and name HA )) 3.100 1.200 1.200 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.15815E-02 ppm1 1.111 ppm2 4.655 CV 1 ASSI { 1192} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 11 and name HA )) 3.000 1.200 1.200 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.18167E-02 ppm1 1.164 ppm2 3.520 CV 1 ASSI { 1194} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 31 and name HA )) 4.700 2.800 1.300 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.44410E-03 ppm1 1.126 ppm2 3.302 CV 1 ASSI { 1195} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 11 and name HD1 )) 2.800 1.000 1.000 peak 1195 spectrum 1 weight 0.10000E+01 volume 0.19983E-02 ppm1 1.167 ppm2 3.203 CV 1 OR { 1195} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 11 and name HD2 )) ASSI { 1197} (( segid " " and resid 11 and name HG1 )) (( segid " " and resid 11 and name HD2 )) 2.700 0.900 0.900 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.25983E-02 ppm1 1.402 ppm2 3.205 CV 1 OR { 1197} (( segid " " and resid 11 and name HG1 )) (( segid " " and resid 11 and name HD1 )) ASSI { 1198} (( segid " " and resid 11 and name HG1 )) (( segid " " and resid 11 and name HA )) 3.000 1.100 1.100 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.14712E-02 ppm1 1.401 ppm2 3.519 CV 1 ASSI { 1200} (( segid " " and resid 72 and name HG2 )) (( segid " " and resid 72 and name HA )) 3.200 1.300 1.300 peak 1200 spectrum 1 weight 0.10000E+01 volume 0.17990E-02 ppm1 1.507 ppm2 3.606 CV 1 ASSI { 1202} (( segid " " and resid 72 and name HG1 )) (( segid " " and resid 72 and name HA )) 2.900 1.100 1.100 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.15441E-02 ppm1 1.651 ppm2 3.606 CV 1 ASSI { 1205} (( segid " " and resid 67 and name HG1 )) (( segid " " and resid 67 and name HD1 )) 2.600 0.800 0.800 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.39502E-02 ppm1 1.749 ppm2 3.268 CV 1 OR { 1205} (( segid " " and resid 67 and name HG2 )) (( segid " " and resid 67 and name HD2 )) OR { 1205} (( segid " " and resid 67 and name HG2 )) (( segid " " and resid 67 and name HD1 )) OR { 1205} (( segid " " and resid 67 and name HG1 )) (( segid " " and resid 67 and name HD2 )) ASSI { 1210} (( segid " " and resid 38 and name HG11)) (( segid " " and resid 40 and name HB1 )) 4.200 2.200 1.800 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.79427E-03 ppm1 1.827 ppm2 3.010 CV 1 ASSI { 1212} (( segid " " and resid 38 and name HG11)) (( segid " " and resid 38 and name HB )) 2.400 0.700 0.700 peak 1212 spectrum 1 weight 0.10000E+01 volume 0.26606E-02 ppm1 1.826 ppm2 2.453 CV 1 ASSI { 1216} (( segid " " and resid 72 and name HG1 )) (( segid " " and resid 72 and name HD2 )) 3.100 1.200 1.200 peak 1216 spectrum 1 weight 0.10000E+01 volume 0.18769E-02 ppm1 1.657 ppm2 3.019 CV 1 ASSI { 1219} (( segid " " and resid 38 and name HG12)) (( segid " " and resid 38 and name HB )) 3.200 1.300 1.300 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.13691E-02 ppm1 1.538 ppm2 2.453 CV 1 ASSI { 1223} (( segid " " and resid 55 and name HG2 )) (( segid " " and resid 55 and name HD1 )) 2.800 0.900 0.900 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.24336E-02 ppm1 0.984 ppm2 3.089 CV 1 ASSI { 1225} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 10 and name HB1 )) 2.500 0.800 0.800 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.40003E-02 ppm1 1.124 ppm2 2.330 CV 1 ASSI { 1226} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 71 and name HB1 )) 2.400 0.700 0.700 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.31900E-02 ppm1 1.124 ppm2 2.235 CV 1 ASSI { 1229} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 71 and name HB2 )) 3.200 1.300 1.300 peak 1229 spectrum 1 weight 0.10000E+01 volume 0.17786E-02 ppm1 1.123 ppm2 2.005 CV 1 ASSI { 1230} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 10 and name HG )) 2.100 0.600 0.600 peak 1230 spectrum 1 weight 0.10000E+01 volume 0.82489E-02 ppm1 1.125 ppm2 1.887 CV 1 ASSI { 1231} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 11 and name HB1 )) 2.600 0.900 0.900 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.30783E-02 ppm1 1.165 ppm2 2.041 CV 1 OR { 1231} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 11 and name HB2 )) ASSI { 1232} (( segid " " and resid 11 and name HG1 )) (( segid " " and resid 11 and name HB2 )) 2.700 0.900 0.900 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.20923E-02 ppm1 1.400 ppm2 2.043 CV 1 OR { 1232} (( segid " " and resid 11 and name HG1 )) (( segid " " and resid 11 and name HB1 )) ASSI { 1235} (( segid " " and resid 61 and name HG2 )) (( segid " " and resid 61 and name HB1 )) 2.400 0.700 0.700 peak 1235 spectrum 1 weight 0.10000E+01 volume 0.54227E-02 ppm1 2.143 ppm2 2.539 CV 1 OR { 1235} (( segid " " and resid 61 and name HG1 )) (( segid " " and resid 61 and name HB1 )) ASSI { 1237} (( segid " " and resid 61 and name HG1 )) ( segid " " and resid 64 and name HG2%) 2.900 1.100 1.100 peak 1237 spectrum 1 weight 0.10000E+01 volume 0.22619E-02 ppm1 2.136 ppm2 1.022 CV 1 OR { 1237} (( segid " " and resid 61 and name HG2 )) ( segid " " and resid 64 and name HG2%) ASSI { 1243} (( segid " " and resid 14 and name HG )) ( segid " " and resid 14 and name HD2%) 2.300 0.600 0.600 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.68722E-02 ppm1 1.873 ppm2 0.891 CV 1 ASSI { 1253} (( segid " " and resid 14 and name HG )) (( segid " " and resid 14 and name HB2 )) 3.200 1.300 1.300 peak 1253 spectrum 1 weight 0.10000E+01 volume 0.12581E-02 ppm1 1.881 ppm2 1.444 CV 1 ASSI { 1254} (( segid " " and resid 4 and name HG )) (( segid " " and resid 4 and name HB2 )) 2.200 0.600 0.600 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.69543E-02 ppm1 1.709 ppm2 1.481 CV 1 ASSI { 1256} (( segid " " and resid 5 and name HG )) ( segid " " and resid 82 and name HD2%) 3.200 1.300 1.300 peak 1256 spectrum 1 weight 0.10000E+01 volume 0.95647E-03 ppm1 1.552 ppm2 0.990 CV 1 OR { 1256} (( segid " " and resid 5 and name HG )) ( segid " " and resid 82 and name HD1%) ASSI { 1259} (( segid " " and resid 5 and name HG )) ( segid " " and resid 5 and name HD1%) 2.700 0.900 0.900 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.18173E-02 ppm1 1.564 ppm2 0.609 CV 1 ASSI { 1261} (( segid " " and resid 60 and name HG11)) (( segid " " and resid 60 and name HG12)) 1.800 0.400 0.400 peak 1261 spectrum 1 weight 0.10000E+01 volume 0.87271E-02 ppm1 1.481 ppm2 1.113 CV 1 ASSI { 1263} (( segid " " and resid 55 and name HG1 )) (( segid " " and resid 55 and name HG2 )) 1.700 0.400 0.500 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.14821E-01 ppm1 1.360 ppm2 0.982 CV 1 ASSI { 1266} ( segid " " and resid 10 and name HD2%) ( segid " " and resid 31 and name HD1%) 2.800 1.000 1.000 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.39263E-02 ppm1 1.124 ppm2 0.456 CV 1 ASSI { 1270} ( segid " " and resid 10 and name HD2%) ( segid " " and resid 5 and name HD1%) 4.100 2.100 1.900 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.86491E-03 ppm1 1.123 ppm2 0.612 CV 1 ASSI { 1273} (( segid " " and resid 31 and name HG )) (( segid " " and resid 31 and name HB2 )) 2.700 0.900 0.900 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.35200E-02 ppm1 1.199 ppm2 1.025 CV 1 ASSI { 1275} (( segid " " and resid 55 and name HG2 )) (( segid " " and resid 55 and name HB2 )) 2.800 1.000 1.000 peak 1275 spectrum 1 weight 0.10000E+01 volume 0.31107E-02 ppm1 0.983 ppm2 1.611 CV 1 ASSI { 1276} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 11 and name HG1 )) 1.700 0.400 0.500 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.10632E-01 ppm1 1.165 ppm2 1.401 CV 1 ASSI { 1280} (( segid " " and resid 60 and name HG12)) (( segid " " and resid 60 and name HB )) 2.900 1.000 1.000 peak 1280 spectrum 1 weight 0.10000E+01 volume 0.13734E-02 ppm1 1.112 ppm2 1.783 CV 1 ASSI { 1282} (( segid " " and resid 45 and name HG )) (( segid " " and resid 45 and name HB2 )) 2.100 0.600 0.600 peak 1282 spectrum 1 weight 0.10000E+01 volume 0.49723E-02 ppm1 1.350 ppm2 1.499 CV 1 ASSI { 1284} (( segid " " and resid 38 and name HG12)) (( segid " " and resid 38 and name HG11)) 1.500 0.300 0.700 peak 1284 spectrum 1 weight 0.10000E+01 volume 0.10631E-01 ppm1 1.540 ppm2 1.825 CV 1 ASSI { 1285} (( segid " " and resid 4 and name HG )) (( segid " " and resid 4 and name HB1 )) 2.800 1.000 1.000 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.55415E-02 ppm1 1.709 ppm2 1.598 CV 1 ASSI { 1286} (( segid " " and resid 33 and name HG )) (( segid " " and resid 33 and name HB2 )) 2.700 0.900 0.900 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.20106E-02 ppm1 1.778 ppm2 1.416 CV 1 ASSI { 1288} (( segid " " and resid 67 and name HG1 )) (( segid " " and resid 67 and name HB1 )) 2.400 0.700 0.700 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.58921E-02 ppm1 1.745 ppm2 2.072 CV 1 OR { 1288} (( segid " " and resid 67 and name HG2 )) (( segid " " and resid 67 and name HB1 )) ASSI { 1295} (( segid " " and resid 47 and name HB1 )) (( segid " " and resid 47 and name HN )) 2.800 1.000 1.000 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.32913E-02 ppm1 2.340 ppm2 8.505 CV 1 ASSI { 1296} (( segid " " and resid 47 and name HB2 )) (( segid " " and resid 47 and name HN )) 2.500 0.800 0.800 peak 1296 spectrum 1 weight 0.10000E+01 volume 0.29066E-02 ppm1 2.201 ppm2 8.505 CV 1 ASSI { 1298} (( segid " " and resid 47 and name HB1 )) (( segid " " and resid 48 and name HN )) 3.100 1.200 1.200 peak 1298 spectrum 1 weight 0.10000E+01 volume 0.93427E-03 ppm1 2.339 ppm2 8.319 CV 1 ASSI { 1306} (( segid " " and resid 51 and name HG1 )) (( segid " " and resid 51 and name HE )) 4.000 2.000 2.000 peak 1306 spectrum 1 weight 0.10000E+01 volume 0.39740E-03 ppm1 1.971 ppm2 7.558 CV 1 ASSI { 1308} (( segid " " and resid 51 and name HG1 )) (( segid " " and resid 51 and name HN )) 3.900 1.900 1.900 peak 1308 spectrum 1 weight 0.10000E+01 volume 0.16973E-02 ppm1 1.974 ppm2 8.116 CV 1 ASSI { 1312} (( segid " " and resid 51 and name HG2 )) (( segid " " and resid 51 and name HN )) 4.100 2.100 1.900 peak 1312 spectrum 1 weight 0.10000E+01 volume 0.78492E-03 ppm1 1.725 ppm2 8.116 CV 1 ASSI { 1313} (( segid " " and resid 78 and name HG12)) (( segid " " and resid 78 and name HN )) 2.300 0.600 0.600 peak 1313 spectrum 1 weight 0.10000E+01 volume 0.25370E-02 ppm1 1.282 ppm2 8.272 CV 1 ASSI { 1316} (( segid " " and resid 78 and name HG12)) (( segid " " and resid 77 and name HN )) 5.000 3.200 1.000 peak 1316 spectrum 1 weight 0.10000E+01 volume 0.14373E-03 ppm1 1.286 ppm2 8.015 CV 1 ASSI { 1317} (( segid " " and resid 12 and name HG2 )) (( segid " " and resid 12 and name HN )) 3.800 1.800 1.800 peak 1317 spectrum 1 weight 0.10000E+01 volume 0.93514E-03 ppm1 1.688 ppm2 7.974 CV 1 ASSI { 1320} (( segid " " and resid 34 and name HG2 )) (( segid " " and resid 37 and name HN )) 5.300 3.600 0.700 peak 1320 spectrum 1 weight 0.10000E+01 volume 0.36381E-03 ppm1 1.622 ppm2 7.577 CV 1 ASSI { 1321} (( segid " " and resid 12 and name HG1 )) (( segid " " and resid 13 and name HN )) 4.600 2.600 1.400 peak 1321 spectrum 1 weight 0.10000E+01 volume 0.29008E-03 ppm1 1.916 ppm2 7.710 CV 1 ASSI { 1323} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 59 and name HA )) 5.700 4.000 0.300 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.20653E-03 ppm1 2.365 ppm2 4.846 CV 1 ASSI { 1324} (( segid " " and resid 53 and name HB1 )) (( segid " " and resid 59 and name HA )) 4.700 2.700 1.300 peak 1324 spectrum 1 weight 0.10000E+01 volume 0.19011E-03 ppm1 2.503 ppm2 4.846 CV 1 ASSI { 1331} (( segid " " and resid 47 and name HB2 )) (( segid " " and resid 47 and name HA )) 2.600 0.800 0.800 peak 1331 spectrum 1 weight 0.10000E+01 volume 0.35302E-02 ppm1 2.205 ppm2 4.230 CV 1 ASSI { 1333} (( segid " " and resid 51 and name HG1 )) (( segid " " and resid 51 and name HA )) 3.100 1.200 1.200 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.14063E-02 ppm1 1.975 ppm2 4.239 CV 1 ASSI { 1335} (( segid " " and resid 34 and name HG1 )) (( segid " " and resid 34 and name HA )) 3.700 1.700 1.700 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.81756E-03 ppm1 1.938 ppm2 4.732 CV 1 ASSI { 1341} (( segid " " and resid 12 and name HG2 )) (( segid " " and resid 12 and name HD1 )) 2.900 1.100 1.100 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.29175E-02 ppm1 1.692 ppm2 3.340 CV 1 ASSI { 1342} (( segid " " and resid 34 and name HG2 )) (( segid " " and resid 34 and name HD2 )) 2.900 1.000 1.000 peak 1342 spectrum 1 weight 0.10000E+01 volume 0.13729E-02 ppm1 1.625 ppm2 3.344 CV 1 ASSI { 1353} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 53 and name HG1 )) 2.400 0.700 0.700 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.42368E-02 ppm1 2.357 ppm2 2.761 CV 1 ASSI { 1356} (( segid " " and resid 47 and name HB1 )) (( segid " " and resid 47 and name HG1 )) 2.800 1.000 1.000 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.39747E-02 ppm1 2.340 ppm2 2.606 CV 1 ASSI { 1359} (( segid " " and resid 47 and name HB2 )) (( segid " " and resid 47 and name HB1 )) 1.700 0.300 0.500 peak 1359 spectrum 1 weight 0.10000E+01 volume 0.15915E-01 ppm1 2.201 ppm2 2.338 CV 1 ASSI { 1363} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 36 and name HG1 )) 2.200 0.600 0.600 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.10680E-01 ppm1 2.134 ppm2 2.495 CV 1 OR { 1363} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 36 and name HG2 )) ASSI { 1364} (( segid " " and resid 51 and name HG1 )) (( segid " " and resid 51 and name HB1 )) 2.900 1.000 1.000 peak 1364 spectrum 1 weight 0.10000E+01 volume 0.39375E-02 ppm1 1.966 ppm2 2.190 CV 1 ASSI { 1365} (( segid " " and resid 51 and name HG1 )) (( segid " " and resid 51 and name HG2 )) 1.800 0.400 0.400 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.10273E-01 ppm1 1.974 ppm2 1.733 CV 1 ASSI { 1366} (( segid " " and resid 12 and name HG1 )) (( segid " " and resid 12 and name HG2 )) 1.700 0.300 0.500 peak 1366 spectrum 1 weight 0.10000E+01 volume 0.12724E-01 ppm1 1.916 ppm2 1.687 CV 1 ASSI { 1367} (( segid " " and resid 34 and name HG1 )) (( segid " " and resid 34 and name HG2 )) 1.800 0.400 0.400 peak 1367 spectrum 1 weight 0.10000E+01 volume 0.77645E-02 ppm1 1.936 ppm2 1.638 CV 1 ASSI { 1368} (( segid " " and resid 51 and name HG2 )) (( segid " " and resid 51 and name HB1 )) 2.800 1.000 1.000 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.17331E-02 ppm1 1.729 ppm2 2.190 CV 1 ASSI { 1369} (( segid " " and resid 34 and name HG2 )) (( segid " " and resid 34 and name HB1 )) 2.500 0.800 0.800 peak 1369 spectrum 1 weight 0.10000E+01 volume 0.28348E-02 ppm1 1.624 ppm2 2.171 CV 1 ASSI { 1374} (( segid " " and resid 34 and name HG2 )) (( segid " " and resid 34 and name HB2 )) 3.300 1.400 1.400 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.16540E-02 ppm1 1.628 ppm2 1.869 CV 1 ASSI { 1377} (( segid " " and resid 78 and name HG12)) (( segid " " and resid 78 and name HG11)) 1.600 0.300 0.600 peak 1377 spectrum 1 weight 0.10000E+01 volume 0.11516E-01 ppm1 1.282 ppm2 1.726 CV 1 ASSI { 1381} (( segid " " and resid 53 and name HB1 )) (( segid " " and resid 53 and name HB2 )) 1.900 0.400 0.400 peak 1381 spectrum 1 weight 0.10000E+01 volume 0.83439E-02 ppm1 2.506 ppm2 2.343 CV 1 OR { 1381} (( segid " " and resid 53 and name HB1 )) (( segid " " and resid 53 and name HG2 )) ASSI { 1384} (( segid " " and resid 53 and name HB2 )) ( segid " " and resid 58 and name HG1%) 5.600 3.900 0.400 peak 1384 spectrum 1 weight 0.10000E+01 volume 0.39390E-03 ppm1 2.354 ppm2 0.930 CV 1 ASSI { 1388} (( segid " " and resid 78 and name HG11)) ( segid " " and resid 5 and name HD1%) 3.700 1.700 1.700 peak 1388 spectrum 1 weight 0.10000E+01 volume 0.53587E-03 ppm1 1.724 ppm2 0.609 CV 1 ASSI { 1389} (( segid " " and resid 34 and name HG2 )) ( segid " " and resid 70 and name HG2%) 3.100 1.200 1.200 peak 1389 spectrum 1 weight 0.10000E+01 volume 0.94697E-03 ppm1 1.631 ppm2 1.066 CV 1 ASSI { 1391} (( segid " " and resid 78 and name HG12)) ( segid " " and resid 5 and name HD1%) 4.800 2.900 1.200 peak 1391 spectrum 1 weight 0.10000E+01 volume 0.41208E-03 ppm1 1.278 ppm2 0.613 CV 1 ASSI { 1401} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 72 and name HN )) 2.800 1.000 1.000 peak 1401 spectrum 1 weight 0.10000E+01 volume 0.16526E-02 ppm1 1.601 ppm2 9.001 CV 1 ASSI { 1402} (( segid " " and resid 34 and name HB1 )) (( segid " " and resid 36 and name HN )) 3.600 1.600 1.600 peak 1402 spectrum 1 weight 0.10000E+01 volume 0.38599E-03 ppm1 2.178 ppm2 9.551 CV 1 ASSI { 1403} (( segid " " and resid 51 and name HB1 )) (( segid " " and resid 52 and name HN )) 3.000 1.100 1.100 peak 1403 spectrum 1 weight 0.10000E+01 volume 0.10913E-02 ppm1 2.198 ppm2 8.415 CV 1 ASSI { 1405} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 20 and name HN )) 2.900 1.000 1.000 peak 1405 spectrum 1 weight 0.10000E+01 volume 0.25314E-02 ppm1 2.070 ppm2 8.477 CV 1 ASSI { 1409} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 69 and name HN )) 4.200 2.300 1.800 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.61880E-03 ppm1 2.475 ppm2 9.096 CV 1 ASSI { 1410} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 69 and name HN )) 4.100 2.100 1.900 peak 1410 spectrum 1 weight 0.10000E+01 volume 0.57423E-03 ppm1 2.276 ppm2 9.098 CV 1 ASSI { 1412} (( segid " " and resid 11 and name HB1 )) ( segid " " and resid 30 and name HE% ) 3.000 1.200 1.200 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.12823E-02 ppm1 2.047 ppm2 7.215 CV 1 OR { 1412} (( segid " " and resid 11 and name HB2 )) ( segid " " and resid 30 and name HE% ) ASSI { 1413} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 51 and name HN )) 2.800 1.000 1.000 peak 1413 spectrum 1 weight 0.10000E+01 volume 0.22747E-02 ppm1 2.033 ppm2 8.108 CV 1 ASSI { 1414} (( segid " " and resid 12 and name HB1 )) (( segid " " and resid 12 and name HN )) 2.400 0.700 0.700 peak 1414 spectrum 1 weight 0.10000E+01 volume 0.68970E-02 ppm1 2.027 ppm2 7.974 CV 1 OR { 1414} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 12 and name HN )) ASSI { 1416} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 16 and name HN )) 3.500 1.500 1.500 peak 1416 spectrum 1 weight 0.10000E+01 volume 0.25246E-02 ppm1 2.255 ppm2 8.220 CV 1 ASSI { 1417} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 16 and name HN )) 2.500 0.800 0.800 peak 1417 spectrum 1 weight 0.10000E+01 volume 0.29153E-02 ppm1 2.141 ppm2 8.217 CV 1 ASSI { 1422} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 37 and name HN )) 3.100 1.200 1.200 peak 1422 spectrum 1 weight 0.10000E+01 volume 0.83372E-03 ppm1 1.853 ppm2 7.556 CV 1 ASSI { 1429} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 74 and name HN )) 3.600 1.600 1.600 peak 1429 spectrum 1 weight 0.10000E+01 volume 0.60465E-03 ppm1 2.473 ppm2 7.715 CV 1 ASSI { 1430} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 70 and name HN )) 3.400 1.500 1.500 peak 1430 spectrum 1 weight 0.10000E+01 volume 0.13701E-02 ppm1 2.470 ppm2 7.474 CV 1 ASSI { 1431} (( segid " " and resid 84 and name HB1 )) (( segid " " and resid 84 and name HN )) 3.700 1.700 1.700 peak 1431 spectrum 1 weight 0.10000E+01 volume 0.20545E-02 ppm1 2.273 ppm2 7.744 CV 1 ASSI { 1434} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 70 and name HN )) 3.100 1.200 1.200 peak 1434 spectrum 1 weight 0.10000E+01 volume 0.14833E-02 ppm1 2.274 ppm2 7.474 CV 1 ASSI { 1438} (( segid " " and resid 34 and name HB1 )) (( segid " " and resid 34 and name HE )) 3.400 1.400 1.400 peak 1438 spectrum 1 weight 0.10000E+01 volume 0.57398E-03 ppm1 2.179 ppm2 7.984 CV 1 ASSI { 1443} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 34 and name HA )) 3.800 1.800 1.800 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.63176E-03 ppm1 1.858 ppm2 4.733 CV 1 ASSI { 1447} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 34 and name HD2 )) 3.700 1.700 1.700 peak 1447 spectrum 1 weight 0.10000E+01 volume 0.10303E-02 ppm1 1.857 ppm2 3.346 CV 1 ASSI { 1449} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 72 and name HA )) 2.800 1.000 1.000 peak 1449 spectrum 1 weight 0.10000E+01 volume 0.14852E-02 ppm1 1.601 ppm2 3.604 CV 1 ASSI { 1450} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 72 and name HD1 )) 3.800 1.800 1.800 peak 1450 spectrum 1 weight 0.10000E+01 volume 0.61203E-03 ppm1 1.600 ppm2 3.495 CV 1 ASSI { 1454} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 11 and name HD1 )) 2.900 1.100 1.100 peak 1454 spectrum 1 weight 0.10000E+01 volume 0.18001E-02 ppm1 2.045 ppm2 3.206 CV 1 OR { 1454} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 11 and name HD2 )) OR { 1454} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 11 and name HD1 )) OR { 1454} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 11 and name HD2 )) ASSI { 1455} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 12 and name HA )) 2.500 0.800 0.800 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.49784E-02 ppm1 2.025 ppm2 4.029 CV 1 OR { 1455} (( segid " " and resid 12 and name HB1 )) (( segid " " and resid 12 and name HA )) ASSI { 1458} (( segid " " and resid 84 and name HB2 )) (( segid " " and resid 84 and name HA )) 3.100 1.200 1.200 peak 1458 spectrum 1 weight 0.10000E+01 volume 0.30094E-02 ppm1 2.126 ppm2 4.391 CV 1 ASSI { 1461} (( segid " " and resid 51 and name HB1 )) (( segid " " and resid 51 and name HA )) 3.400 1.400 1.400 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.14145E-02 ppm1 2.198 ppm2 4.239 CV 1 ASSI { 1463} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 16 and name HA )) 2.900 1.100 1.100 peak 1463 spectrum 1 weight 0.10000E+01 volume 0.40252E-02 ppm1 2.141 ppm2 4.205 CV 1 ASSI { 1466} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 73 and name HA )) 3.200 1.300 1.300 peak 1466 spectrum 1 weight 0.10000E+01 volume 0.11992E-02 ppm1 2.468 ppm2 4.237 CV 1 ASSI { 1467} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 68 and name HA )) 4.200 2.200 1.800 peak 1467 spectrum 1 weight 0.10000E+01 volume 0.34994E-03 ppm1 2.471 ppm2 4.437 CV 1 ASSI { 1469} (( segid " " and resid 51 and name HB1 )) (( segid " " and resid 51 and name HD2 )) 3.900 1.900 1.900 peak 1469 spectrum 1 weight 0.10000E+01 volume 0.62505E-03 ppm1 2.188 ppm2 3.293 CV 1 ASSI { 1472} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 73 and name HG1 )) 2.800 1.000 1.000 peak 1472 spectrum 1 weight 0.10000E+01 volume 0.28508E-02 ppm1 2.466 ppm2 2.634 CV 1 ASSI { 1476} (( segid " " and resid 84 and name HB2 )) (( segid " " and resid 84 and name HG1 )) 2.600 0.900 0.900 peak 1476 spectrum 1 weight 0.10000E+01 volume 0.31563E-02 ppm1 2.124 ppm2 2.538 CV 1 ASSI { 1477} (( segid " " and resid 84 and name HB2 )) (( segid " " and resid 84 and name HG2 )) 2.900 1.000 1.000 peak 1477 spectrum 1 weight 0.10000E+01 volume 0.29606E-02 ppm1 2.125 ppm2 2.460 CV 1 ASSI { 1483} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 20 and name HG1 )) 2.400 0.700 0.700 peak 1483 spectrum 1 weight 0.10000E+01 volume 0.81462E-02 ppm1 2.070 ppm2 2.407 CV 1 OR { 1483} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 20 and name HG2 )) ASSI { 1484} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 16 and name HG2 )) 2.400 0.700 0.700 peak 1484 spectrum 1 weight 0.10000E+01 volume 0.54666E-02 ppm1 2.141 ppm2 2.389 CV 1 ASSI { 1485} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 36 and name HG2 )) 4.500 2.500 1.500 peak 1485 spectrum 1 weight 0.10000E+01 volume 0.36162E-03 ppm1 1.855 ppm2 2.490 CV 1 OR { 1485} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 36 and name HG1 )) ASSI { 1486} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 34 and name HB1 )) 1.900 0.400 0.400 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.55631E-02 ppm1 1.854 ppm2 2.176 CV 1 ASSI { 1487} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 12 and name HG2 )) 2.400 0.700 0.700 peak 1487 spectrum 1 weight 0.10000E+01 volume 0.62866E-02 ppm1 2.029 ppm2 1.702 CV 1 OR { 1487} (( segid " " and resid 12 and name HB1 )) (( segid " " and resid 12 and name HG2 )) ASSI { 1495} (( segid " " and resid 20 and name HB1 )) (( segid " " and resid 20 and name HB2 )) 1.800 0.400 0.400 peak 1495 spectrum 1 weight 0.10000E+01 volume 0.14946E-01 ppm1 2.230 ppm2 2.066 CV 1 ASSI { 1497} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 51 and name HB1 )) 1.800 0.400 0.400 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.96163E-02 ppm1 2.033 ppm2 2.192 CV 1 ASSI { 1500} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 31 and name HB2 )) 4.800 2.900 1.200 peak 1500 spectrum 1 weight 0.10000E+01 volume 0.13242E-02 ppm1 1.865 ppm2 1.028 CV 1 ASSI { 1502} (( segid " " and resid 73 and name HB1 )) ( segid " " and resid 68 and name HG1%) 3.000 1.100 1.100 peak 1502 spectrum 1 weight 0.10000E+01 volume 0.10038E-02 ppm1 2.467 ppm2 1.125 CV 1 ASSI { 1503} (( segid " " and resid 73 and name HB2 )) ( segid " " and resid 68 and name HG1%) 3.100 1.200 1.200 peak 1503 spectrum 1 weight 0.10000E+01 volume 0.20843E-02 ppm1 2.273 ppm2 1.125 CV 1 ASSI { 1504} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 73 and name HB2 )) 1.900 0.500 0.500 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.60986E-02 ppm1 2.469 ppm2 2.276 CV 1 ASSI { 1505} (( segid " " and resid 72 and name HB1 )) ( segid " " and resid 31 and name HD2%) 4.700 2.800 1.300 peak 1505 spectrum 1 weight 0.10000E+01 volume 0.49327E-03 ppm1 1.857 ppm2 0.777 CV 1 ASSI { 1507} (( segid " " and resid 72 and name HB2 )) ( segid " " and resid 31 and name HD1%) 5.000 3.100 1.000 peak 1507 spectrum 1 weight 0.10000E+01 volume 0.31613E-03 ppm1 1.603 ppm2 0.455 CV 1 ASSI { 1510} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 67 and name HN )) 2.900 1.000 1.000 peak 1510 spectrum 1 weight 0.10000E+01 volume 0.22981E-02 ppm1 1.858 ppm2 7.492 CV 1 ASSI { 1519} (( segid " " and resid 55 and name HB2 )) ( segid " " and resid 56 and name HD% ) 4.500 2.600 1.500 peak 1519 spectrum 1 weight 0.10000E+01 volume 0.88758E-03 ppm1 1.609 ppm2 7.438 CV 1 ASSI { 1522} (( segid " " and resid 55 and name HB2 )) ( segid " " and resid 56 and name HE% ) 4.900 2.900 1.100 peak 1522 spectrum 1 weight 0.10000E+01 volume 0.41846E-03 ppm1 1.609 ppm2 6.804 CV 1 ASSI { 1528} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 52 and name HA )) 2.600 0.800 0.800 peak 1528 spectrum 1 weight 0.10000E+01 volume 0.12208E-02 ppm1 1.897 ppm2 4.304 CV 1 ASSI { 1530} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 52 and name HA )) 4.400 2.400 1.600 peak 1530 spectrum 1 weight 0.10000E+01 volume 0.58627E-03 ppm1 1.623 ppm2 4.313 CV 1 ASSI { 1532} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 64 and name HA )) 3.400 1.400 1.400 peak 1532 spectrum 1 weight 0.10000E+01 volume 0.50979E-03 ppm1 2.080 ppm2 3.824 CV 1 ASSI { 1533} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 67 and name HD2 )) 3.100 1.200 1.200 peak 1533 spectrum 1 weight 0.10000E+01 volume 0.17446E-02 ppm1 1.858 ppm2 3.265 CV 1 OR { 1533} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 67 and name HD1 )) ASSI { 1534} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 67 and name HD1 )) 2.900 1.000 1.000 peak 1534 spectrum 1 weight 0.10000E+01 volume 0.18354E-02 ppm1 2.078 ppm2 3.269 CV 1 OR { 1534} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 67 and name HD2 )) ASSI { 1535} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 55 and name HD2 )) 3.300 1.400 1.400 peak 1535 spectrum 1 weight 0.10000E+01 volume 0.13181E-02 ppm1 1.894 ppm2 3.017 CV 1 ASSI { 1536} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 67 and name HB1 )) 1.600 0.300 0.600 peak 1536 spectrum 1 weight 0.10000E+01 volume 0.16041E-01 ppm1 1.858 ppm2 2.076 CV 1 ASSI { 1539} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 55 and name HG1 )) 2.700 0.900 0.900 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.35687E-02 ppm1 1.895 ppm2 1.364 CV 1 ASSI { 1541} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 55 and name HG1 )) 2.600 0.900 0.900 peak 1541 spectrum 1 weight 0.10000E+01 volume 0.34605E-02 ppm1 1.614 ppm2 1.363 CV 1 ASSI { 1543} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 55 and name HG2 )) 2.600 0.900 0.900 peak 1543 spectrum 1 weight 0.10000E+01 volume 0.20474E-02 ppm1 1.896 ppm2 0.989 CV 1 ASSI { 1548} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 67 and name HG2 )) 2.300 0.600 0.600 peak 1548 spectrum 1 weight 0.10000E+01 volume 0.80522E-02 ppm1 1.858 ppm2 1.749 CV 1 OR { 1548} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 67 and name HG1 )) ASSI { 1549} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 47 and name HN )) 4.600 2.600 1.400 peak 1549 spectrum 1 weight 0.10000E+01 volume 0.44362E-03 ppm1 2.835 ppm2 8.505 CV 1 ASSI { 1550} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 47 and name HN )) 5.000 3.100 1.000 peak 1550 spectrum 1 weight 0.10000E+01 volume 0.46486E-03 ppm1 2.755 ppm2 8.494 CV 1 ASSI { 1551} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 46 and name HN )) 2.400 0.700 0.700 peak 1551 spectrum 1 weight 0.10000E+01 volume 0.22525E-02 ppm1 2.836 ppm2 8.227 CV 1 ASSI { 1552} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 46 and name HN )) 3.200 1.300 1.300 peak 1552 spectrum 1 weight 0.10000E+01 volume 0.22418E-02 ppm1 2.750 ppm2 8.227 CV 1 ASSI { 1553} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 66 and name HN )) 5.200 3.300 0.800 peak 1553 spectrum 1 weight 0.10000E+01 volume 0.16091E-03 ppm1 2.836 ppm2 8.036 CV 1 ASSI { 1554} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 66 and name HN )) 4.700 2.800 1.300 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.15719E-03 ppm1 2.750 ppm2 8.036 CV 1 ASSI { 1555} (( segid " " and resid 61 and name HB1 )) (( segid " " and resid 62 and name HN )) 3.300 1.300 1.300 peak 1555 spectrum 1 weight 0.10000E+01 volume 0.16134E-02 ppm1 2.541 ppm2 8.822 CV 1 ASSI { 1556} (( segid " " and resid 61 and name HB1 )) (( segid " " and resid 63 and name HN )) 3.700 1.700 1.700 peak 1556 spectrum 1 weight 0.10000E+01 volume 0.88748E-03 ppm1 2.538 ppm2 8.617 CV 1 ASSI { 1557} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 72 and name HN )) 4.300 2.300 1.700 peak 1557 spectrum 1 weight 0.10000E+01 volume 0.65495E-03 ppm1 2.249 ppm2 8.999 CV 1 ASSI { 1561} (( segid " " and resid 64 and name HB )) (( segid " " and resid 65 and name HN )) 2.300 0.700 0.700 peak 1561 spectrum 1 weight 0.10000E+01 volume 0.32861E-02 ppm1 2.209 ppm2 8.219 CV 1 ASSI { 1562} (( segid " " and resid 15 and name HB )) (( segid " " and resid 16 and name HN )) 2.200 0.600 0.600 peak 1562 spectrum 1 weight 0.10000E+01 volume 0.43324E-02 ppm1 2.270 ppm2 8.222 CV 1 ASSI { 1563} (( segid " " and resid 15 and name HB )) (( segid " " and resid 15 and name HN )) 2.300 0.700 0.700 peak 1563 spectrum 1 weight 0.10000E+01 volume 0.59649E-02 ppm1 2.271 ppm2 8.454 CV 1 ASSI { 1564} (( segid " " and resid 64 and name HB )) (( segid " " and resid 64 and name HN )) 2.300 0.700 0.700 peak 1564 spectrum 1 weight 0.10000E+01 volume 0.51180E-02 ppm1 2.208 ppm2 7.402 CV 1 ASSI { 1565} (( segid " " and resid 61 and name HB1 )) (( segid " " and resid 64 and name HN )) 4.700 2.800 1.300 peak 1565 spectrum 1 weight 0.10000E+01 volume 0.75208E-03 ppm1 2.540 ppm2 7.401 CV 1 ASSI { 1566} (( segid " " and resid 71 and name HB1 )) ( segid " " and resid 30 and name HD% ) 3.800 1.800 1.800 peak 1566 spectrum 1 weight 0.10000E+01 volume 0.10021E-02 ppm1 2.248 ppm2 7.312 CV 1 OR { 1566} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 30 and name HZ )) ASSI { 1567} (( segid " " and resid 71 and name HB1 )) ( segid " " and resid 30 and name HE% ) 2.700 0.900 0.900 peak 1567 spectrum 1 weight 0.10000E+01 volume 0.15826E-02 ppm1 2.248 ppm2 7.211 CV 1 ASSI { 1568} (( segid " " and resid 71 and name HB1 )) ( segid " " and resid 35 and name HE% ) 4.000 2.000 2.000 peak 1568 spectrum 1 weight 0.10000E+01 volume 0.75218E-03 ppm1 2.249 ppm2 6.895 CV 1 OR { 1568} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 35 and name HZ )) ASSI { 1570} (( segid " " and resid 71 and name HB2 )) ( segid " " and resid 30 and name HE% ) 3.600 1.700 1.700 peak 1570 spectrum 1 weight 0.10000E+01 volume 0.79360E-03 ppm1 2.013 ppm2 7.210 CV 1 ASSI { 1577} (( segid " " and resid 61 and name HB2 )) (( segid " " and resid 61 and name HD1 )) 4.000 2.000 2.000 peak 1577 spectrum 1 weight 0.10000E+01 volume 0.12307E-02 ppm1 2.055 ppm2 4.009 CV 1 ASSI { 1578} (( segid " " and resid 61 and name HB2 )) (( segid " " and resid 61 and name HD2 )) 3.400 1.500 1.500 peak 1578 spectrum 1 weight 0.10000E+01 volume 0.86460E-03 ppm1 2.060 ppm2 3.573 CV 1 ASSI { 1581} (( segid " " and resid 64 and name HB )) (( segid " " and resid 61 and name HD2 )) 2.900 1.000 1.000 peak 1581 spectrum 1 weight 0.10000E+01 volume 0.10504E-02 ppm1 2.209 ppm2 3.572 CV 1 ASSI { 1584} (( segid " " and resid 15 and name HB )) (( segid " " and resid 12 and name HA )) 2.600 0.800 0.800 peak 1584 spectrum 1 weight 0.10000E+01 volume 0.32286E-02 ppm1 2.270 ppm2 4.033 CV 1 ASSI { 1585} (( segid " " and resid 15 and name HB )) (( segid " " and resid 15 and name HA )) 2.700 0.900 0.900 peak 1585 spectrum 1 weight 0.10000E+01 volume 0.35541E-02 ppm1 2.271 ppm2 3.935 CV 1 ASSI { 1589} (( segid " " and resid 61 and name HB1 )) (( segid " " and resid 61 and name HD1 )) 3.900 1.900 1.900 peak 1589 spectrum 1 weight 0.10000E+01 volume 0.13174E-02 ppm1 2.539 ppm2 4.012 CV 1 ASSI { 1591} (( segid " " and resid 61 and name HB1 )) (( segid " " and resid 61 and name HD2 )) 4.000 2.000 2.000 peak 1591 spectrum 1 weight 0.10000E+01 volume 0.11498E-02 ppm1 2.538 ppm2 3.572 CV 1 ASSI { 1593} (( segid " " and resid 61 and name HB1 )) (( segid " " and resid 61 and name HA )) 2.200 0.600 0.600 peak 1593 spectrum 1 weight 0.10000E+01 volume 0.64896E-02 ppm1 2.540 ppm2 4.527 CV 1 ASSI { 1598} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 66 and name HA1 )) 4.800 2.900 1.200 peak 1598 spectrum 1 weight 0.10000E+01 volume 0.20257E-03 ppm1 2.834 ppm2 4.126 CV 1 ASSI { 1599} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 66 and name HA1 )) 4.700 2.700 1.300 peak 1599 spectrum 1 weight 0.10000E+01 volume 0.21792E-03 ppm1 2.750 ppm2 4.128 CV 1 ASSI { 1600} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 62 and name HA )) 4.900 3.000 1.100 peak 1600 spectrum 1 weight 0.10000E+01 volume 0.27439E-03 ppm1 2.840 ppm2 4.459 CV 1 ASSI { 1601} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 62 and name HA )) 4.000 2.000 2.000 peak 1601 spectrum 1 weight 0.10000E+01 volume 0.21830E-03 ppm1 2.757 ppm2 4.462 CV 1 ASSI { 1605} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 46 and name HG2 )) 2.400 0.700 0.700 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.74046E-02 ppm1 2.314 ppm2 2.750 CV 1 OR { 1605} (( segid " " and resid 46 and name HB1 )) (( segid " " and resid 46 and name HG2 )) ASSI { 1606} (( segid " " and resid 61 and name HB2 )) (( segid " " and resid 61 and name HB1 )) 1.700 0.400 0.500 peak 1606 spectrum 1 weight 0.10000E+01 volume 0.10389E-01 ppm1 2.060 ppm2 2.538 CV 1 ASSI { 1608} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 46 and name HB1 )) 2.200 0.600 0.600 peak 1608 spectrum 1 weight 0.10000E+01 volume 0.85309E-02 ppm1 2.836 ppm2 2.318 CV 1 OR { 1608} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 46 and name HB2 )) ASSI { 1615} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 71 and name HB1 )) 1.900 0.400 0.400 peak 1615 spectrum 1 weight 0.10000E+01 volume 0.52833E-02 ppm1 2.011 ppm2 2.243 CV 1 ASSI { 1618} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 71 and name HG2 )) 2.800 1.000 1.000 peak 1618 spectrum 1 weight 0.10000E+01 volume 0.23120E-02 ppm1 2.247 ppm2 1.312 CV 1 ASSI { 1626} (( segid " " and resid 61 and name HB1 )) ( segid " " and resid 64 and name HG2%) 4.200 2.200 1.800 peak 1626 spectrum 1 weight 0.10000E+01 volume 0.17275E-02 ppm1 2.540 ppm2 1.021 CV 1 ASSI { 1633} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 45 and name HB1 )) 4.500 2.500 1.500 peak 1633 spectrum 1 weight 0.10000E+01 volume 0.20742E-03 ppm1 2.837 ppm2 1.634 CV 1 ASSI { 1634} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 45 and name HB1 )) 4.700 2.700 1.300 peak 1634 spectrum 1 weight 0.10000E+01 volume 0.29732E-03 ppm1 2.748 ppm2 1.635 CV 1 ASSI { 1637} (( segid " " and resid 46 and name HG2 )) ( segid " " and resid 65 and name HB% ) 3.700 1.700 1.700 peak 1637 spectrum 1 weight 0.10000E+01 volume 0.25784E-03 ppm1 2.753 ppm2 1.386 CV 1 ASSI { 1638} (( segid " " and resid 46 and name HG1 )) ( segid " " and resid 65 and name HB% ) 5.200 3.300 0.800 peak 1638 spectrum 1 weight 0.10000E+01 volume 0.24797E-03 ppm1 2.840 ppm2 1.385 CV 1 ASSI { 1650} (( segid " " and resid 68 and name HB )) ( segid " " and resid 45 and name HD1%) 4.600 2.700 1.400 peak 1650 spectrum 1 weight 0.10000E+01 volume 0.32245E-03 ppm1 2.402 ppm2 0.232 CV 1 ASSI { 1654} (( segid " " and resid 68 and name HB )) (( segid " " and resid 74 and name HB2 )) 3.500 1.500 1.500 peak 1654 spectrum 1 weight 0.10000E+01 volume 0.45292E-03 ppm1 2.402 ppm2 1.707 CV 1 ASSI { 1658} (( segid " " and resid 68 and name HB )) (( segid " " and resid 68 and name HA )) 2.400 0.700 0.700 peak 1658 spectrum 1 weight 0.10000E+01 volume 0.40766E-02 ppm1 2.402 ppm2 4.437 CV 1 ASSI { 1663} (( segid " " and resid 68 and name HB )) ( segid " " and resid 35 and name HE% ) 3.400 1.500 1.500 peak 1663 spectrum 1 weight 0.10000E+01 volume 0.45490E-03 ppm1 2.399 ppm2 6.920 CV 1 ASSI { 1665} (( segid " " and resid 68 and name HB )) (( segid " " and resid 74 and name HN )) 3.700 1.700 1.700 peak 1665 spectrum 1 weight 0.10000E+01 volume 0.43090E-03 ppm1 2.405 ppm2 7.723 CV 1 ASSI { 1667} (( segid " " and resid 68 and name HB )) (( segid " " and resid 68 and name HN )) 3.500 1.600 1.600 peak 1667 spectrum 1 weight 0.10000E+01 volume 0.16419E-02 ppm1 2.401 ppm2 7.325 CV 1 ASSI { 1668} (( segid " " and resid 68 and name HB )) (( segid " " and resid 69 and name HN )) 3.500 1.500 1.500 peak 1668 spectrum 1 weight 0.10000E+01 volume 0.18435E-02 ppm1 2.399 ppm2 9.095 CV 1 ASSI { 1671} (( segid " " and resid 53 and name HG2 )) (( segid " " and resid 53 and name HN )) 3.700 1.700 1.700 peak 1671 spectrum 1 weight 0.10000E+01 volume 0.17678E-02 ppm1 2.311 ppm2 8.964 CV 1 ASSI { 1672} (( segid " " and resid 58 and name HB )) (( segid " " and resid 59 and name HN )) 2.300 0.600 0.600 peak 1672 spectrum 1 weight 0.10000E+01 volume 0.49181E-02 ppm1 2.133 ppm2 8.484 CV 1 ASSI { 1673} (( segid " " and resid 47 and name HG1 )) (( segid " " and resid 47 and name HN )) 4.100 2.100 1.900 peak 1673 spectrum 1 weight 0.10000E+01 volume 0.15346E-02 ppm1 2.605 ppm2 8.504 CV 1 ASSI { 1674} (( segid " " and resid 47 and name HG2 )) (( segid " " and resid 47 and name HN )) 4.200 2.200 1.800 peak 1674 spectrum 1 weight 0.10000E+01 volume 0.16005E-02 ppm1 2.462 ppm2 8.506 CV 1 ASSI { 1676} (( segid " " and resid 53 and name HG2 )) (( segid " " and resid 54 and name HN )) 4.800 2.900 1.200 peak 1676 spectrum 1 weight 0.10000E+01 volume 0.66827E-03 ppm1 2.315 ppm2 8.036 CV 1 ASSI { 1677} (( segid " " and resid 58 and name HB )) (( segid " " and resid 58 and name HN )) 3.600 1.600 1.600 peak 1677 spectrum 1 weight 0.10000E+01 volume 0.12303E-02 ppm1 2.134 ppm2 7.532 CV 1 ASSI { 1688} (( segid " " and resid 47 and name HG2 )) (( segid " " and resid 47 and name HA )) 3.400 1.400 1.400 peak 1688 spectrum 1 weight 0.10000E+01 volume 0.19334E-02 ppm1 2.464 ppm2 4.228 CV 1 ASSI { 1691} (( segid " " and resid 36 and name HG1 )) (( segid " " and resid 36 and name HA )) 2.900 1.100 1.100 peak 1691 spectrum 1 weight 0.10000E+01 volume 0.36628E-02 ppm1 2.499 ppm2 4.359 CV 1 OR { 1691} (( segid " " and resid 36 and name HG2 )) (( segid " " and resid 36 and name HA )) ASSI { 1693} (( segid " " and resid 53 and name HG2 )) (( segid " " and resid 50 and name HA )) 4.400 2.400 1.600 peak 1693 spectrum 1 weight 0.10000E+01 volume 0.68639E-03 ppm1 2.313 ppm2 4.263 CV 1 ASSI { 1696} (( segid " " and resid 58 and name HB )) (( segid " " and resid 53 and name HA )) 4.500 2.500 1.500 peak 1696 spectrum 1 weight 0.10000E+01 volume 0.58306E-03 ppm1 2.134 ppm2 4.086 CV 1 ASSI { 1698} (( segid " " and resid 53 and name HG2 )) (( segid " " and resid 59 and name HA )) 3.400 1.400 1.400 peak 1698 spectrum 1 weight 0.10000E+01 volume 0.40899E-03 ppm1 2.313 ppm2 4.835 CV 1 ASSI { 1701} (( segid " " and resid 53 and name HG2 )) (( segid " " and resid 53 and name HB1 )) 2.200 0.600 0.600 peak 1701 spectrum 1 weight 0.10000E+01 volume 0.53297E-02 ppm1 2.309 ppm2 2.506 CV 1 ASSI { 1702} (( segid " " and resid 53 and name HG1 )) (( segid " " and resid 53 and name HB1 )) 2.800 1.000 1.000 peak 1702 spectrum 1 weight 0.10000E+01 volume 0.51358E-02 ppm1 2.762 ppm2 2.505 CV 1 ASSI { 1703} (( segid " " and resid 53 and name HG1 )) (( segid " " and resid 53 and name HG2 )) 1.600 0.300 0.600 peak 1703 spectrum 1 weight 0.10000E+01 volume 0.12090E-01 ppm1 2.761 ppm2 2.321 CV 1 ASSI { 1706} (( segid " " and resid 47 and name HG1 )) (( segid " " and resid 47 and name HB2 )) 2.600 0.800 0.800 peak 1706 spectrum 1 weight 0.10000E+01 volume 0.40059E-02 ppm1 2.608 ppm2 2.201 CV 1 ASSI { 1709} (( segid " " and resid 58 and name HB )) ( segid " " and resid 81 and name HB% ) 2.600 0.900 0.900 peak 1709 spectrum 1 weight 0.10000E+01 volume 0.29662E-02 ppm1 2.134 ppm2 1.625 CV 1 ASSI { 1710} (( segid " " and resid 53 and name HG2 )) (( segid " " and resid 60 and name HG11)) 4.400 2.400 1.600 peak 1710 spectrum 1 weight 0.10000E+01 volume 0.40187E-03 ppm1 2.317 ppm2 1.480 CV 1 ASSI { 1714} (( segid " " and resid 58 and name HB )) ( segid " " and resid 58 and name HG2%) 2.000 0.500 0.500 peak 1714 spectrum 1 weight 0.10000E+01 volume 0.10983E-01 ppm1 2.133 ppm2 0.950 CV 1 OR { 1714} (( segid " " and resid 58 and name HB )) ( segid " " and resid 58 and name HG1%) ASSI { 1717} (( segid " " and resid 53 and name HG1 )) ( segid " " and resid 58 and name HG1%) 5.400 3.600 0.600 peak 1717 spectrum 1 weight 0.10000E+01 volume 0.55508E-03 ppm1 2.763 ppm2 0.923 CV 1 ASSI { 1738} (( segid " " and resid 16 and name HG1 )) (( segid " " and resid 16 and name HN )) 3.500 1.600 1.600 peak 1738 spectrum 1 weight 0.10000E+01 volume 0.24165E-02 ppm1 2.618 ppm2 8.219 CV 1 ASSI { 1739} (( segid " " and resid 16 and name HG2 )) (( segid " " and resid 16 and name HN )) 2.700 0.900 0.900 peak 1739 spectrum 1 weight 0.10000E+01 volume 0.17291E-02 ppm1 2.391 ppm2 8.220 CV 1 ASSI { 1740} (( segid " " and resid 20 and name HG1 )) (( segid " " and resid 21 and name HN )) 4.500 2.500 1.500 peak 1740 spectrum 1 weight 0.10000E+01 volume 0.44270E-03 ppm1 2.401 ppm2 8.245 CV 1 OR { 1740} (( segid " " and resid 20 and name HG2 )) (( segid " " and resid 21 and name HN )) ASSI { 1741} (( segid " " and resid 73 and name HG1 )) (( segid " " and resid 69 and name HN )) 3.700 1.700 1.700 peak 1741 spectrum 1 weight 0.10000E+01 volume 0.21276E-03 ppm1 2.639 ppm2 9.097 CV 1 ASSI { 1744} (( segid " " and resid 73 and name HG1 )) (( segid " " and resid 70 and name HN )) 3.900 1.900 1.900 peak 1744 spectrum 1 weight 0.10000E+01 volume 0.55471E-03 ppm1 2.634 ppm2 7.474 CV 1 ASSI { 1745} (( segid " " and resid 73 and name HG2 )) (( segid " " and resid 70 and name HN )) 4.100 2.100 1.900 peak 1745 spectrum 1 weight 0.10000E+01 volume 0.56700E-03 ppm1 2.510 ppm2 7.477 CV 1 ASSI { 1747} (( segid " " and resid 73 and name HG2 )) (( segid " " and resid 73 and name HN )) 3.600 1.600 1.600 peak 1747 spectrum 1 weight 0.10000E+01 volume 0.14058E-02 ppm1 2.508 ppm2 7.835 CV 1 ASSI { 1748} (( segid " " and resid 73 and name HG1 )) (( segid " " and resid 74 and name HN )) 4.500 2.600 1.500 peak 1748 spectrum 1 weight 0.10000E+01 volume 0.26423E-03 ppm1 2.637 ppm2 7.716 CV 1 ASSI { 1751} (( segid " " and resid 84 and name HG2 )) (( segid " " and resid 84 and name HN )) 3.400 1.400 1.400 peak 1751 spectrum 1 weight 0.10000E+01 volume 0.96871E-03 ppm1 2.463 ppm2 7.749 CV 1 ASSI { 1758} (( segid " " and resid 16 and name HG1 )) (( segid " " and resid 16 and name HA )) 3.600 1.700 1.700 peak 1758 spectrum 1 weight 0.10000E+01 volume 0.19438E-02 ppm1 2.616 ppm2 4.204 CV 1 ASSI { 1759} (( segid " " and resid 73 and name HG1 )) (( segid " " and resid 73 and name HA )) 3.000 1.100 1.100 peak 1759 spectrum 1 weight 0.10000E+01 volume 0.26093E-02 ppm1 2.638 ppm2 4.236 CV 1 ASSI { 1761} (( segid " " and resid 73 and name HG2 )) (( segid " " and resid 73 and name HA )) 3.300 1.400 1.400 peak 1761 spectrum 1 weight 0.10000E+01 volume 0.14109E-02 ppm1 2.491 ppm2 4.235 CV 1 ASSI { 1766} (( segid " " and resid 16 and name HG2 )) (( segid " " and resid 16 and name HA )) 3.000 1.200 1.200 peak 1766 spectrum 1 weight 0.10000E+01 volume 0.19911E-02 ppm1 2.390 ppm2 4.202 CV 1 ASSI { 1774} (( segid " " and resid 16 and name HG1 )) ( segid " " and resid 15 and name HG1%) 5.000 3.100 1.000 peak 1774 spectrum 1 weight 0.10000E+01 volume 0.51722E-03 ppm1 2.618 ppm2 1.030 CV 1 ASSI { 1775} (( segid " " and resid 73 and name HG1 )) ( segid " " and resid 68 and name HG1%) 3.600 1.600 1.600 peak 1775 spectrum 1 weight 0.10000E+01 volume 0.76494E-03 ppm1 2.641 ppm2 1.117 CV 1 ASSI { 1776} (( segid " " and resid 73 and name HG2 )) ( segid " " and resid 68 and name HG1%) 3.900 1.900 1.900 peak 1776 spectrum 1 weight 0.10000E+01 volume 0.57754E-03 ppm1 2.506 ppm2 1.123 CV 1 ASSI { 1777} (( segid " " and resid 84 and name HG1 )) ( segid " " and resid 83 and name HB% ) 4.100 2.100 1.900 peak 1777 spectrum 1 weight 0.10000E+01 volume 0.53463E-03 ppm1 2.534 ppm2 1.607 CV 1 ASSI { 1778} (( segid " " and resid 84 and name HG2 )) ( segid " " and resid 83 and name HB% ) 3.900 1.900 1.900 peak 1778 spectrum 1 weight 0.10000E+01 volume 0.55198E-03 ppm1 2.467 ppm2 1.609 CV 1 ASSI { 1781} (( segid " " and resid 84 and name HG1 )) (( segid " " and resid 84 and name HB1 )) 2.500 0.800 0.800 peak 1781 spectrum 1 weight 0.10000E+01 volume 0.76866E-02 ppm1 2.529 ppm2 2.273 CV 1 ASSI { 1782} (( segid " " and resid 84 and name HG2 )) (( segid " " and resid 84 and name HB1 )) 2.500 0.800 0.800 peak 1782 spectrum 1 weight 0.10000E+01 volume 0.75983E-02 ppm1 2.464 ppm2 2.275 CV 1 ASSI { 1786} (( segid " " and resid 20 and name HG2 )) (( segid " " and resid 20 and name HB1 )) 2.300 0.600 0.600 peak 1786 spectrum 1 weight 0.10000E+01 volume 0.11563E-01 ppm1 2.403 ppm2 2.228 CV 1 OR { 1786} (( segid " " and resid 20 and name HG1 )) (( segid " " and resid 20 and name HB1 )) ASSI { 1788} (( segid " " and resid 16 and name HG1 )) (( segid " " and resid 16 and name HB2 )) 2.700 0.900 0.900 peak 1788 spectrum 1 weight 0.10000E+01 volume 0.26539E-02 ppm1 2.617 ppm2 2.137 CV 1 ASSI { 1798} (( segid " " and resid 78 and name HB )) (( segid " " and resid 78 and name HN )) 2.400 0.700 0.700 peak 1798 spectrum 1 weight 0.10000E+01 volume 0.45164E-02 ppm1 1.937 ppm2 8.272 CV 1 ASSI { 1807} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 40 and name HN )) 4.500 2.600 1.500 peak 1807 spectrum 1 weight 0.10000E+01 volume 0.38275E-03 ppm1 3.578 ppm2 8.057 CV 1 ASSI { 1810} (( segid " " and resid 79 and name HB1 )) (( segid " " and resid 79 and name HD22)) 3.500 1.500 1.500 peak 1810 spectrum 1 weight 0.10000E+01 volume 0.17305E-02 ppm1 3.086 ppm2 7.670 CV 1 ASSI { 1811} (( segid " " and resid 79 and name HB2 )) (( segid " " and resid 79 and name HD22)) 3.500 1.500 1.500 peak 1811 spectrum 1 weight 0.10000E+01 volume 0.17634E-02 ppm1 2.767 ppm2 7.670 CV 1 ASSI { 1814} (( segid " " and resid 35 and name HB2 )) ( segid " " and resid 35 and name HD% ) 2.400 0.700 0.700 peak 1814 spectrum 1 weight 0.10000E+01 volume 0.38009E-02 ppm1 3.089 ppm2 7.114 CV 1 ASSI { 1816} (( segid " " and resid 35 and name HB1 )) ( segid " " and resid 35 and name HD% ) 2.500 0.800 0.800 peak 1816 spectrum 1 weight 0.10000E+01 volume 0.35507E-02 ppm1 3.580 ppm2 7.114 CV 1 ASSI { 1817} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 35 and name HN )) 2.600 0.800 0.800 peak 1817 spectrum 1 weight 0.10000E+01 volume 0.22838E-02 ppm1 3.087 ppm2 8.458 CV 1 ASSI { 1818} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 36 and name HN )) 2.700 0.900 0.900 peak 1818 spectrum 1 weight 0.10000E+01 volume 0.16775E-02 ppm1 3.088 ppm2 9.558 CV 1 ASSI { 1821} (( segid " " and resid 79 and name HB1 )) (( segid " " and resid 79 and name HA )) 2.900 1.100 1.100 peak 1821 spectrum 1 weight 0.10000E+01 volume 0.11758E-02 ppm1 3.088 ppm2 4.906 CV 1 ASSI { 1822} (( segid " " and resid 79 and name HB2 )) (( segid " " and resid 79 and name HA )) 3.300 1.400 1.400 peak 1822 spectrum 1 weight 0.10000E+01 volume 0.16686E-02 ppm1 2.766 ppm2 4.901 CV 1 ASSI { 1827} (( segid " " and resid 79 and name HB1 )) (( segid " " and resid 76 and name HA )) 4.400 2.400 1.600 peak 1827 spectrum 1 weight 0.10000E+01 volume 0.11117E-02 ppm1 3.085 ppm2 4.486 CV 1 ASSI { 1829} (( segid " " and resid 78 and name HB )) (( segid " " and resid 78 and name HA )) 2.900 1.100 1.100 peak 1829 spectrum 1 weight 0.10000E+01 volume 0.18679E-02 ppm1 1.936 ppm2 3.739 CV 1 ASSI { 1830} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 40 and name HB2 )) 2.400 0.700 0.700 peak 1830 spectrum 1 weight 0.10000E+01 volume 0.16734E-02 ppm1 3.579 ppm2 2.785 CV 1 ASSI { 1833} (( segid " " and resid 78 and name HB )) (( segid " " and resid 78 and name HG11)) 2.400 0.700 0.700 peak 1833 spectrum 1 weight 0.10000E+01 volume 0.33566E-02 ppm1 1.937 ppm2 1.727 CV 1 ASSI { 1836} (( segid " " and resid 79 and name HB1 )) ( segid " " and resid 4 and name HD2%) 3.600 1.600 1.600 peak 1836 spectrum 1 weight 0.10000E+01 volume 0.39194E-03 ppm1 3.087 ppm2 0.950 CV 1 ASSI { 1840} (( segid " " and resid 78 and name HB )) (( segid " " and resid 78 and name HG12)) 2.600 0.900 0.900 peak 1840 spectrum 1 weight 0.10000E+01 volume 0.17369E-02 ppm1 1.936 ppm2 1.282 CV 1 ASSI { 1847} (( segid " " and resid 35 and name HB1 )) ( segid " " and resid 45 and name HD2%) 4.500 2.500 1.500 peak 1847 spectrum 1 weight 0.10000E+01 volume 0.71216E-03 ppm1 3.578 ppm2 0.348 CV 1 ASSI { 1848} (( segid " " and resid 35 and name HB1 )) ( segid " " and resid 45 and name HD1%) 3.400 1.500 1.500 peak 1848 spectrum 1 weight 0.10000E+01 volume 0.48858E-03 ppm1 3.578 ppm2 0.228 CV 1 ASSI { 1854} (( segid " " and resid 56 and name HB1 )) ( segid " " and resid 5 and name HD1%) 4.100 2.100 1.900 peak 1854 spectrum 1 weight 0.10000E+01 volume 0.49677E-03 ppm1 3.453 ppm2 0.626 CV 1 OR { 1854} (( segid " " and resid 56 and name HB1 )) ( segid " " and resid 5 and name HD2%) ASSI { 1856} (( segid " " and resid 56 and name HB2 )) ( segid " " and resid 5 and name HD1%) 4.300 2.300 1.700 peak 1856 spectrum 1 weight 0.10000E+01 volume 0.26830E-03 ppm1 2.785 ppm2 0.627 CV 1 OR { 1856} (( segid " " and resid 56 and name HB2 )) ( segid " " and resid 5 and name HD2%) ASSI { 1867} (( segid " " and resid 56 and name HB1 )) (( segid " " and resid 52 and name HA )) 6.000 5.400 0.000 peak 1867 spectrum 1 weight 0.10000E+01 volume 0.13499E-03 ppm1 3.456 ppm2 4.293 CV 1 ASSI { 1874} (( segid " " and resid 38 and name HB )) (( segid " " and resid 38 and name HA )) 2.400 0.700 0.700 peak 1874 spectrum 1 weight 0.10000E+01 volume 0.55740E-02 ppm1 2.453 ppm2 4.661 CV 1 ASSI { 1876} (( segid " " and resid 56 and name HB1 )) (( segid " " and resid 56 and name HA )) 2.500 0.800 0.800 peak 1876 spectrum 1 weight 0.10000E+01 volume 0.43026E-02 ppm1 3.454 ppm2 4.679 CV 1 ASSI { 1877} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 56 and name HA )) 3.900 1.900 1.900 peak 1877 spectrum 1 weight 0.10000E+01 volume 0.76876E-03 ppm1 2.779 ppm2 4.676 CV 1 ASSI { 1882} (( segid " " and resid 56 and name HB1 )) ( segid " " and resid 56 and name HE% ) 4.600 2.600 1.400 peak 1882 spectrum 1 weight 0.10000E+01 volume 0.56773E-03 ppm1 3.456 ppm2 6.814 CV 1 ASSI { 1883} (( segid " " and resid 56 and name HB1 )) (( segid " " and resid 58 and name HN )) 4.400 2.500 1.600 peak 1883 spectrum 1 weight 0.10000E+01 volume 0.51605E-03 ppm1 3.457 ppm2 7.543 CV 1 ASSI { 1884} (( segid " " and resid 56 and name HB1 )) ( segid " " and resid 56 and name HD% ) 2.400 0.700 0.700 peak 1884 spectrum 1 weight 0.10000E+01 volume 0.52476E-02 ppm1 3.454 ppm2 7.439 CV 1 ASSI { 1885} (( segid " " and resid 56 and name HB2 )) ( segid " " and resid 56 and name HD% ) 2.400 0.700 0.700 peak 1885 spectrum 1 weight 0.10000E+01 volume 0.42001E-02 ppm1 2.784 ppm2 7.440 CV 1 ASSI { 1886} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 58 and name HN )) 3.600 1.600 1.600 peak 1886 spectrum 1 weight 0.10000E+01 volume 0.53917E-03 ppm1 2.787 ppm2 7.542 CV 1 ASSI { 1889} (( segid " " and resid 38 and name HB )) ( segid " " and resid 40 and name HD% ) 3.800 1.800 1.800 peak 1889 spectrum 1 weight 0.10000E+01 volume 0.64746E-03 ppm1 2.452 ppm2 6.969 CV 1 ASSI { 1890} (( segid " " and resid 38 and name HB )) ( segid " " and resid 40 and name HE% ) 4.000 2.000 2.000 peak 1890 spectrum 1 weight 0.10000E+01 volume 0.30548E-03 ppm1 2.453 ppm2 6.753 CV 1 ASSI { 1893} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 56 and name HN )) 2.400 0.700 0.700 peak 1893 spectrum 1 weight 0.10000E+01 volume 0.29955E-02 ppm1 2.785 ppm2 8.118 CV 1 ASSI { 1894} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 57 and name HN )) 4.000 2.000 2.000 peak 1894 spectrum 1 weight 0.10000E+01 volume 0.38131E-03 ppm1 2.787 ppm2 7.961 CV 1 ASSI { 1895} (( segid " " and resid 56 and name HB1 )) (( segid " " and resid 56 and name HN )) 3.500 1.500 1.500 peak 1895 spectrum 1 weight 0.10000E+01 volume 0.24027E-02 ppm1 3.454 ppm2 8.122 CV 1 ASSI { 1896} (( segid " " and resid 56 and name HB1 )) (( segid " " and resid 57 and name HN )) 4.300 2.400 1.700 peak 1896 spectrum 1 weight 0.10000E+01 volume 0.60842E-03 ppm1 3.453 ppm2 7.962 CV 1 ASSI { 1897} (( segid " " and resid 63 and name HB1 )) (( segid " " and resid 63 and name HN )) 3.100 1.200 1.200 peak 1897 spectrum 1 weight 0.10000E+01 volume 0.19821E-02 ppm1 2.826 ppm2 8.618 CV 1 ASSI { 1898} (( segid " " and resid 63 and name HB2 )) (( segid " " and resid 63 and name HN )) 3.100 1.200 1.200 peak 1898 spectrum 1 weight 0.10000E+01 volume 0.16545E-02 ppm1 2.742 ppm2 8.617 CV 1 ASSI { 1904} (( segid " " and resid 62 and name HB1 )) (( segid " " and resid 62 and name HN )) 2.800 1.000 1.000 peak 1904 spectrum 1 weight 0.10000E+01 volume 0.27832E-02 ppm1 2.823 ppm2 8.823 CV 1 ASSI { 1905} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 62 and name HN )) 3.200 1.300 1.300 peak 1905 spectrum 1 weight 0.10000E+01 volume 0.23022E-02 ppm1 2.746 ppm2 8.823 CV 1 ASSI { 1906} (( segid " " and resid 62 and name HB1 )) (( segid " " and resid 63 and name HN )) 3.800 1.800 1.800 peak 1906 spectrum 1 weight 0.10000E+01 volume 0.93127E-03 ppm1 2.826 ppm2 8.618 CV 1 ASSI { 1911} (( segid " " and resid 30 and name HB1 )) ( segid " " and resid 30 and name HD% ) 2.500 0.800 0.800 peak 1911 spectrum 1 weight 0.10000E+01 volume 0.41229E-02 ppm1 3.290 ppm2 7.303 CV 1 ASSI { 1913} (( segid " " and resid 30 and name HB2 )) ( segid " " and resid 30 and name HD% ) 2.500 0.800 0.800 peak 1913 spectrum 1 weight 0.10000E+01 volume 0.33169E-02 ppm1 3.015 ppm2 7.303 CV 1 ASSI { 1915} (( segid " " and resid 40 and name HB1 )) ( segid " " and resid 35 and name HD% ) 2.800 1.000 1.000 peak 1915 spectrum 1 weight 0.10000E+01 volume 0.17774E-02 ppm1 3.007 ppm2 7.110 CV 1 ASSI { 1916} (( segid " " and resid 40 and name HB1 )) ( segid " " and resid 40 and name HD% ) 2.300 0.700 0.700 peak 1916 spectrum 1 weight 0.10000E+01 volume 0.29248E-02 ppm1 3.006 ppm2 6.968 CV 1 ASSI { 1917} (( segid " " and resid 40 and name HB2 )) ( segid " " and resid 35 and name HD% ) 3.000 1.100 1.100 peak 1917 spectrum 1 weight 0.10000E+01 volume 0.12042E-02 ppm1 2.783 ppm2 7.113 CV 1 ASSI { 1919} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 40 and name HN )) 2.500 2.500 3.500 peak 1919 spectrum 1 weight 0.10000E+01 volume 0.21068E-02 ppm1 2.786 ppm2 8.059 CV 1 ASSI { 1924} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 31 and name HN )) 4.800 2.900 1.200 peak 1924 spectrum 1 weight 0.10000E+01 volume 0.31221E-03 ppm1 3.296 ppm2 7.508 CV 1 ASSI { 1925} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 31 and name HN )) 4.300 2.300 1.700 peak 1925 spectrum 1 weight 0.10000E+01 volume 0.46113E-03 ppm1 3.011 ppm2 7.507 CV 1 ASSI { 1929} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 29 and name HA )) 4.500 2.600 1.500 peak 1929 spectrum 1 weight 0.10000E+01 volume 0.36834E-03 ppm1 3.291 ppm2 4.851 CV 1 ASSI { 1932} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 29 and name HA )) 5.500 3.800 0.500 peak 1932 spectrum 1 weight 0.10000E+01 volume 0.30720E-03 ppm1 3.018 ppm2 4.846 CV 1 ASSI { 1937} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 35 and name HB1 )) 2.400 0.700 0.700 peak 1937 spectrum 1 weight 0.10000E+01 volume 0.16386E-02 ppm1 3.006 ppm2 3.580 CV 1 ASSI { 1942} (( segid " " and resid 29 and name HB1 )) (( segid " " and resid 29 and name HA )) 3.100 1.200 1.200 peak 1942 spectrum 1 weight 0.10000E+01 volume 0.21215E-02 ppm1 2.886 ppm2 4.843 CV 1 ASSI { 1943} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 62 and name HA )) 2.800 1.000 1.000 peak 1943 spectrum 1 weight 0.10000E+01 volume 0.35610E-02 ppm1 2.745 ppm2 4.449 CV 1 ASSI { 1949} (( segid " " and resid 60 and name HB )) (( segid " " and resid 59 and name HA )) 4.800 2.900 1.200 peak 1949 spectrum 1 weight 0.10000E+01 volume 0.52316E-03 ppm1 1.782 ppm2 4.836 CV 1 ASSI { 1950} (( segid " " and resid 60 and name HB )) (( segid " " and resid 60 and name HA )) 2.800 1.000 1.000 peak 1950 spectrum 1 weight 0.10000E+01 volume 0.20858E-02 ppm1 1.785 ppm2 4.653 CV 1 ASSI { 1957} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 33 and name HG )) 4.500 2.500 1.500 peak 1957 spectrum 1 weight 0.10000E+01 volume 0.60594E-03 ppm1 3.290 ppm2 1.771 CV 1 OR { 1957} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 33 and name HB1 )) ASSI { 1958} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 33 and name HG )) 3.700 1.700 1.700 peak 1958 spectrum 1 weight 0.10000E+01 volume 0.58508E-03 ppm1 3.013 ppm2 1.796 CV 1 OR { 1958} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 33 and name HB1 )) ASSI { 1961} (( segid " " and resid 22 and name HB2 )) ( segid " " and resid 18 and name HB% ) 3.800 1.800 1.800 peak 1961 spectrum 1 weight 0.10000E+01 volume 0.61890E-03 ppm1 2.834 ppm2 1.535 CV 1 OR { 1961} (( segid " " and resid 22 and name HB1 )) ( segid " " and resid 18 and name HB% ) ASSI { 1962} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 33 and name HB2 )) 5.400 3.700 0.600 peak 1962 spectrum 1 weight 0.10000E+01 volume 0.21974E-03 ppm1 3.289 ppm2 1.416 CV 1 ASSI { 1963} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 26 and name HB2 )) 3.400 3.400 2.600 peak 1963 spectrum 1 weight 0.10000E+01 volume 0.34647E-03 ppm1 3.291 ppm2 1.236 CV 1 ASSI { 1969} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 26 and name HB2 )) 3.300 3.300 2.700 peak 1969 spectrum 1 weight 0.10000E+01 volume 0.39631E-03 ppm1 3.016 ppm2 1.241 CV 1 ASSI { 1975} (( segid " " and resid 40 and name HB2 )) ( segid " " and resid 45 and name HD2%) 6.000 4.800 0.000 peak 1975 spectrum 1 weight 0.10000E+01 volume 0.23395E-03 ppm1 2.777 ppm2 0.354 CV 1 ASSI { 1977} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 45 and name HG )) 4.700 2.700 1.300 peak 1977 spectrum 1 weight 0.10000E+01 volume 0.34539E-03 ppm1 2.783 ppm2 1.350 CV 1 ASSI { 1980} (( segid " " and resid 60 and name HB )) ( segid " " and resid 60 and name HD1%) 3.100 1.200 1.200 peak 1980 spectrum 1 weight 0.10000E+01 volume 0.28527E-02 ppm1 1.784 ppm2 0.839 CV 1 ASSI { 1981} (( segid " " and resid 60 and name HB )) (( segid " " and resid 60 and name HG11)) 2.600 0.900 0.900 peak 1981 spectrum 1 weight 0.10000E+01 volume 0.29449E-02 ppm1 1.786 ppm2 1.488 CV 1 ASSI { 1993} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 28 and name HA2 )) 4.500 2.500 1.500 peak 1993 spectrum 1 weight 0.10000E+01 volume 0.30269E-03 ppm1 2.675 ppm2 3.868 CV 1 ASSI { 1994} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 29 and name HA )) 2.800 1.000 1.000 peak 1994 spectrum 1 weight 0.10000E+01 volume 0.26396E-02 ppm1 2.666 ppm2 4.844 CV 1 ASSI { 1995} (( segid " " and resid 22 and name HB1 )) ( segid " " and resid 24 and name HG2%) 4.100 2.100 1.900 peak 1995 spectrum 1 weight 0.10000E+01 volume 0.39530E-03 ppm1 2.840 ppm2 1.261 CV 1 OR { 1995} (( segid " " and resid 22 and name HB2 )) ( segid " " and resid 24 and name HG2%) ASSI { 1996} (( segid " " and resid 76 and name HB2 )) (( segid " " and resid 76 and name HN )) 2.600 0.900 0.900 peak 1996 spectrum 1 weight 0.10000E+01 volume 0.37791E-02 ppm1 2.714 ppm2 8.695 CV 1 ASSI { 1998} (( segid " " and resid 76 and name HB2 )) (( segid " " and resid 77 and name HN )) 3.600 1.700 1.700 peak 1998 spectrum 1 weight 0.10000E+01 volume 0.17036E-02 ppm1 2.717 ppm2 8.003 CV 1 ASSI { 1999} (( segid " " and resid 76 and name HB1 )) (( segid " " and resid 73 and name HA )) 3.100 1.200 1.200 peak 1999 spectrum 1 weight 0.10000E+01 volume 0.14096E-02 ppm1 2.771 ppm2 4.243 CV 1 ASSI { 2000} (( segid " " and resid 76 and name HB2 )) (( segid " " and resid 73 and name HA )) 3.100 1.200 1.200 peak 2000 spectrum 1 weight 0.10000E+01 volume 0.21653E-02 ppm1 2.715 ppm2 4.241 CV 1 ASSI { 2001} (( segid " " and resid 76 and name HB1 )) (( segid " " and resid 76 and name HA )) 3.000 1.200 1.200 peak 2001 spectrum 1 weight 0.10000E+01 volume 0.31034E-02 ppm1 2.769 ppm2 4.487 CV 1 ASSI { 2004} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 31 and name HN )) 3.200 1.200 1.200 peak 2004 spectrum 1 weight 0.10000E+01 volume 0.39836E-02 ppm1 1.628 ppm2 7.507 CV 1 ASSI { 2006} (( segid " " and resid 10 and name HB2 )) (( segid " " and resid 10 and name HN )) 2.500 0.800 0.800 peak 2006 spectrum 1 weight 0.10000E+01 volume 0.33569E-02 ppm1 1.568 ppm2 8.068 CV 1 ASSI { 2008} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 43 and name HN )) 2.400 0.700 0.700 peak 2008 spectrum 1 weight 0.10000E+01 volume 0.38835E-02 ppm1 1.832 ppm2 7.787 CV 1 ASSI { 2009} (( segid " " and resid 43 and name HB1 )) (( segid " " and resid 44 and name HN )) 3.400 1.500 1.500 peak 2009 spectrum 1 weight 0.10000E+01 volume 0.22666E-02 ppm1 1.872 ppm2 8.155 CV 1 ASSI { 2011} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 74 and name HN )) 2.400 0.700 0.700 peak 2011 spectrum 1 weight 0.10000E+01 volume 0.27127E-02 ppm1 1.693 ppm2 7.712 CV 1 ASSI { 2012} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 35 and name HZ )) 2.900 1.000 1.000 peak 2012 spectrum 1 weight 0.10000E+01 volume 0.82773E-03 ppm1 1.695 ppm2 6.897 CV 1 OR { 2012} (( segid " " and resid 74 and name HB2 )) ( segid " " and resid 35 and name HE% ) ASSI { 2013} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 45 and name HN )) 2.300 0.700 0.700 peak 2013 spectrum 1 weight 0.10000E+01 volume 0.39196E-02 ppm1 1.500 ppm2 8.461 CV 1 ASSI { 2014} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 46 and name HN )) 2.700 0.900 0.900 peak 2014 spectrum 1 weight 0.10000E+01 volume 0.99241E-03 ppm1 1.628 ppm2 8.230 CV 1 ASSI { 2015} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 46 and name HN )) 3.900 1.900 1.900 peak 2015 spectrum 1 weight 0.10000E+01 volume 0.12138E-02 ppm1 1.503 ppm2 8.227 CV 1 ASSI { 2017} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 45 and name HN )) 2.700 0.900 0.900 peak 2017 spectrum 1 weight 0.10000E+01 volume 0.35545E-02 ppm1 1.631 ppm2 8.461 CV 1 ASSI { 2019} (( segid " " and resid 10 and name HB1 )) (( segid " " and resid 10 and name HN )) 2.400 0.700 0.700 peak 2019 spectrum 1 weight 0.10000E+01 volume 0.39686E-02 ppm1 2.336 ppm2 8.064 CV 1 ASSI { 2020} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 74 and name HN )) 2.700 0.900 0.900 peak 2020 spectrum 1 weight 0.10000E+01 volume 0.28362E-02 ppm1 2.420 ppm2 7.711 CV 1 ASSI { 2023} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 8 and name HN )) 2.500 0.800 0.800 peak 2023 spectrum 1 weight 0.10000E+01 volume 0.54428E-02 ppm1 2.707 ppm2 8.246 CV 1 OR { 2023} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 8 and name HN )) ASSI { 2025} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 37 and name HN )) 2.900 1.000 1.000 peak 2025 spectrum 1 weight 0.10000E+01 volume 0.24419E-02 ppm1 2.994 ppm2 7.557 CV 1 ASSI { 2029} (( segid " " and resid 14 and name HB2 )) (( segid " " and resid 14 and name HN )) 2.500 0.800 0.800 peak 2029 spectrum 1 weight 0.10000E+01 volume 0.23367E-02 ppm1 1.443 ppm2 8.414 CV 1 ASSI { 2035} (( segid " " and resid 10 and name HB1 )) (( segid " " and resid 30 and name HZ )) 3.200 1.300 1.300 peak 2035 spectrum 1 weight 0.10000E+01 volume 0.88108E-03 ppm1 2.335 ppm2 7.335 CV 1 ASSI { 2039} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 32 and name HA )) 3.000 1.100 1.100 peak 2039 spectrum 1 weight 0.10000E+01 volume 0.25193E-02 ppm1 2.359 ppm2 5.045 CV 1 ASSI { 2040} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 33 and name HN )) 3.900 1.900 1.900 peak 2040 spectrum 1 weight 0.10000E+01 volume 0.53075E-03 ppm1 2.358 ppm2 7.205 CV 1 ASSI { 2043} (( segid " " and resid 26 and name HB1 )) (( segid " " and resid 26 and name HA )) 2.900 1.100 1.100 peak 2043 spectrum 1 weight 0.10000E+01 volume 0.24414E-02 ppm1 1.450 ppm2 4.359 CV 1 ASSI { 2045} (( segid " " and resid 10 and name HB2 )) (( segid " " and resid 10 and name HA )) 2.400 0.700 0.700 peak 2045 spectrum 1 weight 0.10000E+01 volume 0.36544E-02 ppm1 1.568 ppm2 4.209 CV 1 ASSI { 2046} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 45 and name HA )) 2.600 0.900 0.900 peak 2046 spectrum 1 weight 0.10000E+01 volume 0.18780E-02 ppm1 1.496 ppm2 3.890 CV 1 ASSI { 2049} (( segid " " and resid 43 and name HB1 )) (( segid " " and resid 43 and name HA )) 2.500 0.800 0.800 peak 2049 spectrum 1 weight 0.10000E+01 volume 0.38142E-02 ppm1 1.872 ppm2 4.268 CV 1 ASSI { 2050} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 43 and name HA )) 2.800 1.000 1.000 peak 2050 spectrum 1 weight 0.10000E+01 volume 0.44763E-02 ppm1 1.833 ppm2 4.268 CV 1 ASSI { 2052} (( segid " " and resid 14 and name HB1 )) (( segid " " and resid 11 and name HA )) 4.200 2.200 1.800 peak 2052 spectrum 1 weight 0.10000E+01 volume 0.98534E-03 ppm1 1.984 ppm2 3.521 CV 1 ASSI { 2054} (( segid " " and resid 10 and name HB1 )) (( segid " " and resid 10 and name HA )) 3.100 1.200 1.200 peak 2054 spectrum 1 weight 0.10000E+01 volume 0.21525E-02 ppm1 2.331 ppm2 4.209 CV 1 ASSI { 2056} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 74 and name HA )) 2.900 1.100 1.100 peak 2056 spectrum 1 weight 0.10000E+01 volume 0.19727E-02 ppm1 2.422 ppm2 4.301 CV 1 ASSI { 2059} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 31 and name HA )) 2.900 1.000 1.000 peak 2059 spectrum 1 weight 0.10000E+01 volume 0.12543E-02 ppm1 1.628 ppm2 3.310 CV 1 ASSI { 2061} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 32 and name HB1 )) 1.700 0.400 0.500 peak 2061 spectrum 1 weight 0.10000E+01 volume 0.20728E-01 ppm1 2.357 ppm2 3.031 CV 1 ASSI { 2064} (( segid " " and resid 10 and name HB1 )) (( segid " " and resid 10 and name HG )) 2.500 0.800 0.800 peak 2064 spectrum 1 weight 0.10000E+01 volume 0.24178E-02 ppm1 2.332 ppm2 1.887 CV 1 ASSI { 2067} (( segid " " and resid 10 and name HB2 )) (( segid " " and resid 10 and name HB1 )) 1.700 0.300 0.500 peak 2067 spectrum 1 weight 0.10000E+01 volume 0.10671E-01 ppm1 1.567 ppm2 2.332 CV 1 ASSI { 2068} (( segid " " and resid 14 and name HB2 )) (( segid " " and resid 14 and name HB1 )) 1.700 0.300 0.500 peak 2068 spectrum 1 weight 0.10000E+01 volume 0.11228E-01 ppm1 1.442 ppm2 1.983 CV 1 ASSI { 2069} (( segid " " and resid 10 and name HB2 )) (( segid " " and resid 10 and name HG )) 3.000 1.100 1.100 peak 2069 spectrum 1 weight 0.10000E+01 volume 0.23077E-02 ppm1 1.563 ppm2 1.889 CV 1 ASSI { 2073} (( segid " " and resid 14 and name HB1 )) ( segid " " and resid 14 and name HD2%) 2.600 0.900 0.900 peak 2073 spectrum 1 weight 0.10000E+01 volume 0.28907E-02 ppm1 1.984 ppm2 0.891 CV 1 ASSI { 2076} (( segid " " and resid 10 and name HB1 )) ( segid " " and resid 5 and name HD1%) 4.800 2.800 1.200 peak 2076 spectrum 1 weight 0.10000E+01 volume 0.49018E-03 ppm1 2.332 ppm2 0.611 CV 1 ASSI { 2083} (( segid " " and resid 31 and name HB1 )) ( segid " " and resid 31 and name HD1%) 3.500 1.600 1.600 peak 2083 spectrum 1 weight 0.10000E+01 volume 0.14969E-02 ppm1 1.626 ppm2 0.455 CV 1 ASSI { 2085} (( segid " " and resid 14 and name HB2 )) ( segid " " and resid 14 and name HD2%) 2.900 1.100 1.100 peak 2085 spectrum 1 weight 0.10000E+01 volume 0.29253E-02 ppm1 1.443 ppm2 0.886 CV 1 ASSI { 2087} (( segid " " and resid 26 and name HB1 )) ( segid " " and resid 26 and name HD2%) 2.800 1.000 1.000 peak 2087 spectrum 1 weight 0.10000E+01 volume 0.28065E-02 ppm1 1.449 ppm2 0.798 CV 1 ASSI { 2094} (( segid " " and resid 26 and name HB2 )) ( segid " " and resid 26 and name HD1%) 2.900 1.100 1.100 peak 2094 spectrum 1 weight 0.10000E+01 volume 0.18742E-02 ppm1 1.227 ppm2 0.690 CV 1 ASSI { 2096} (( segid " " and resid 26 and name HB1 )) ( segid " " and resid 26 and name HD1%) 3.500 1.500 1.500 peak 2096 spectrum 1 weight 0.10000E+01 volume 0.18403E-02 ppm1 1.449 ppm2 0.690 CV 1 ASSI { 2097} (( segid " " and resid 45 and name HB2 )) ( segid " " and resid 45 and name HD2%) 3.800 1.800 1.800 peak 2097 spectrum 1 weight 0.10000E+01 volume 0.12053E-02 ppm1 1.504 ppm2 0.351 CV 1 ASSI { 2100} (( segid " " and resid 31 and name HB1 )) ( segid " " and resid 31 and name HD2%) 2.700 0.900 0.900 peak 2100 spectrum 1 weight 0.10000E+01 volume 0.26366E-02 ppm1 1.628 ppm2 0.782 CV 1 ASSI { 2101} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 31 and name HB2 )) 1.700 0.400 0.500 peak 2101 spectrum 1 weight 0.10000E+01 volume 0.94175E-02 ppm1 1.627 ppm2 1.026 CV 1 ASSI { 2102} (( segid " " and resid 10 and name HB2 )) ( segid " " and resid 10 and name HD2%) 2.500 0.800 0.800 peak 2102 spectrum 1 weight 0.10000E+01 volume 0.42087E-02 ppm1 1.564 ppm2 1.119 CV 1 ASSI { 2103} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 45 and name HG )) 2.800 1.000 1.000 peak 2103 spectrum 1 weight 0.10000E+01 volume 0.31324E-02 ppm1 1.628 ppm2 1.358 CV 1 ASSI { 2111} (( segid " " and resid 41 and name HB1 )) (( segid " " and resid 42 and name HN )) 2.400 0.700 0.700 peak 2111 spectrum 1 weight 0.10000E+01 volume 0.50907E-02 ppm1 3.293 ppm2 8.922 CV 1 ASSI { 2113} (( segid " " and resid 41 and name HB2 )) (( segid " " and resid 42 and name HN )) 2.900 1.000 1.000 peak 2113 spectrum 1 weight 0.10000E+01 volume 0.35247E-02 ppm1 2.854 ppm2 8.922 CV 1 ASSI { 2114} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 6 and name HN )) 2.700 0.900 0.900 peak 2114 spectrum 1 weight 0.10000E+01 volume 0.16074E-02 ppm1 2.697 ppm2 9.029 CV 1 ASSI { 2118} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 26 and name HN )) 4.500 2.500 1.500 peak 2118 spectrum 1 weight 0.10000E+01 volume 0.74547E-03 ppm1 2.756 ppm2 8.469 CV 1 ASSI { 2120} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 34 and name HN )) 4.100 2.100 1.900 peak 2120 spectrum 1 weight 0.10000E+01 volume 0.64885E-03 ppm1 2.995 ppm2 8.456 CV 1 ASSI { 2121} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 75 and name HN )) 2.500 0.800 0.800 peak 2121 spectrum 1 weight 0.10000E+01 volume 0.17646E-02 ppm1 2.421 ppm2 8.728 CV 1 ASSI { 2122} (( segid " " and resid 41 and name HB2 )) (( segid " " and resid 41 and name HN )) 2.900 1.000 1.000 peak 2122 spectrum 1 weight 0.10000E+01 volume 0.22238E-02 ppm1 2.854 ppm2 7.974 CV 1 ASSI { 2123} (( segid " " and resid 41 and name HB2 )) (( segid " " and resid 43 and name HN )) 4.800 2.900 1.200 peak 2123 spectrum 1 weight 0.10000E+01 volume 0.49191E-03 ppm1 2.849 ppm2 7.787 CV 1 ASSI { 2128} (( segid " " and resid 41 and name HB1 )) (( segid " " and resid 41 and name HN )) 3.300 1.400 1.400 peak 2128 spectrum 1 weight 0.10000E+01 volume 0.15629E-02 ppm1 3.293 ppm2 7.974 CV 1 ASSI { 2131} (( segid " " and resid 32 and name HB1 )) (( segid " " and resid 33 and name HN )) 4.100 2.100 1.900 peak 2131 spectrum 1 weight 0.10000E+01 volume 0.35038E-03 ppm1 3.029 ppm2 7.208 CV 1 ASSI { 2135} (( segid " " and resid 9 and name HB2 )) ( segid " " and resid 56 and name HE% ) 4.900 3.000 1.100 peak 2135 spectrum 1 weight 0.10000E+01 volume 0.39253E-03 ppm1 2.698 ppm2 6.813 CV 1 ASSI { 2139} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 37 and name HA )) 3.300 1.300 1.300 peak 2139 spectrum 1 weight 0.10000E+01 volume 0.24013E-02 ppm1 3.089 ppm2 4.807 CV 1 ASSI { 2140} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 37 and name HA )) 2.700 0.900 0.900 peak 2140 spectrum 1 weight 0.10000E+01 volume 0.27049E-02 ppm1 2.996 ppm2 4.807 CV 1 ASSI { 2144} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 8 and name HA )) 2.400 0.700 0.700 peak 2144 spectrum 1 weight 0.10000E+01 volume 0.71123E-02 ppm1 2.709 ppm2 4.619 CV 1 OR { 2144} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 8 and name HA )) ASSI { 2147} (( segid " " and resid 41 and name HB2 )) (( segid " " and resid 40 and name HA )) 5.100 3.300 0.900 peak 2147 spectrum 1 weight 0.10000E+01 volume 0.29354E-03 ppm1 2.850 ppm2 4.586 CV 1 ASSI { 2157} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 34 and name HB1 )) 5.600 4.000 0.400 peak 2157 spectrum 1 weight 0.10000E+01 volume 0.21363E-03 ppm1 3.078 ppm2 2.171 CV 1 ASSI { 2158} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 34 and name HB1 )) 5.100 3.200 0.900 peak 2158 spectrum 1 weight 0.10000E+01 volume 0.38479E-03 ppm1 2.998 ppm2 2.173 CV 1 ASSI { 2164} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 5 and name HB1 )) 3.000 1.100 1.100 peak 2164 spectrum 1 weight 0.10000E+01 volume 0.20483E-02 ppm1 3.032 ppm2 1.572 CV 1 OR { 2164} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 5 and name HG )) ASSI { 2166} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 34 and name HB2 )) 3.200 1.200 1.200 peak 2166 spectrum 1 weight 0.10000E+01 volume 0.77723E-03 ppm1 2.992 ppm2 1.850 CV 1 ASSI { 2167} (( segid " " and resid 41 and name HB1 )) (( segid " " and resid 45 and name HB1 )) 4.200 2.200 1.800 peak 2167 spectrum 1 weight 0.10000E+01 volume 0.94341E-03 ppm1 3.305 ppm2 1.626 CV 1 ASSI { 2168} (( segid " " and resid 41 and name HB1 )) ( segid " " and resid 43 and name HD1%) 4.500 2.600 1.500 peak 2168 spectrum 1 weight 0.10000E+01 volume 0.46203E-03 ppm1 3.304 ppm2 1.023 CV 1 ASSI { 2170} (( segid " " and resid 37 and name HB1 )) ( segid " " and resid 38 and name HG2%) 3.400 1.400 1.400 peak 2170 spectrum 1 weight 0.10000E+01 volume 0.58234E-03 ppm1 3.089 ppm2 1.054 CV 1 ASSI { 2171} (( segid " " and resid 37 and name HB2 )) ( segid " " and resid 38 and name HG2%) 4.400 2.500 1.600 peak 2171 spectrum 1 weight 0.10000E+01 volume 0.65928E-03 ppm1 2.992 ppm2 1.058 CV 1 ASSI { 2172} (( segid " " and resid 9 and name HB1 )) ( segid " " and resid 5 and name HD2%) 2.800 1.000 1.000 peak 2172 spectrum 1 weight 0.10000E+01 volume 0.17067E-02 ppm1 3.033 ppm2 0.630 CV 1 OR { 2172} (( segid " " and resid 9 and name HB1 )) ( segid " " and resid 5 and name HD1%) ASSI { 2173} (( segid " " and resid 9 and name HB2 )) ( segid " " and resid 5 and name HD2%) 3.400 1.400 1.400 peak 2173 spectrum 1 weight 0.10000E+01 volume 0.22306E-02 ppm1 2.697 ppm2 0.632 CV 1 OR { 2173} (( segid " " and resid 9 and name HB2 )) ( segid " " and resid 5 and name HD1%) ASSI { 2188} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 52 and name HN )) 3.200 1.300 1.300 peak 2188 spectrum 1 weight 0.10000E+01 volume 0.30063E-02 ppm1 2.212 ppm2 8.413 CV 1 ASSI { 2190} (( segid " " and resid 72 and name HD1 )) (( segid " " and resid 72 and name HE )) 2.700 0.900 0.900 peak 2190 spectrum 1 weight 0.10000E+01 volume 0.30551E-02 ppm1 3.491 ppm2 9.072 CV 1 ASSI { 2191} (( segid " " and resid 72 and name HD2 )) (( segid " " and resid 72 and name HE )) 2.600 0.800 0.800 peak 2191 spectrum 1 weight 0.10000E+01 volume 0.40519E-02 ppm1 3.017 ppm2 9.070 CV 1 ASSI { 2192} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 78 and name HN )) 2.600 0.900 0.900 peak 2192 spectrum 1 weight 0.10000E+01 volume 0.18166E-02 ppm1 1.910 ppm2 8.271 CV 1 ASSI { 2194} (( segid " " and resid 33 and name HB1 )) (( segid " " and resid 34 and name HN )) 3.000 1.200 1.200 peak 2194 spectrum 1 weight 0.10000E+01 volume 0.96076E-03 ppm1 1.774 ppm2 8.456 CV 1 ASSI { 2195} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 75 and name HN )) 3.700 1.700 1.700 peak 2195 spectrum 1 weight 0.10000E+01 volume 0.15888E-02 ppm1 1.693 ppm2 8.726 CV 1 ASSI { 2196} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 75 and name HN )) 2.400 0.700 0.700 peak 2196 spectrum 1 weight 0.10000E+01 volume 0.42126E-02 ppm1 1.546 ppm2 8.720 CV 1 ASSI { 2197} (( segid " " and resid 5 and name HB1 )) (( segid " " and resid 6 and name HN )) 3.000 1.100 1.100 peak 2197 spectrum 1 weight 0.10000E+01 volume 0.10640E-02 ppm1 1.579 ppm2 9.029 CV 1 ASSI { 2198} (( segid " " and resid 5 and name HB2 )) (( segid " " and resid 6 and name HN )) 4.400 2.400 1.600 peak 2198 spectrum 1 weight 0.10000E+01 volume 0.50438E-03 ppm1 1.352 ppm2 9.028 CV 1 ASSI { 2201} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 52 and name HN )) 2.700 0.900 0.900 peak 2201 spectrum 1 weight 0.10000E+01 volume 0.16894E-02 ppm1 1.445 ppm2 8.416 CV 1 ASSI { 2203} (( segid " " and resid 82 and name HB2 )) (( segid " " and resid 82 and name HN )) 2.600 0.800 0.800 peak 2203 spectrum 1 weight 0.10000E+01 volume 0.26844E-02 ppm1 1.556 ppm2 8.276 CV 1 ASSI { 2206} (( segid " " and resid 82 and name HB2 )) (( segid " " and resid 83 and name HN )) 2.900 1.100 1.100 peak 2206 spectrum 1 weight 0.10000E+01 volume 0.13334E-02 ppm1 1.554 ppm2 7.953 CV 1 ASSI { 2208} (( segid " " and resid 33 and name HB1 )) (( segid " " and resid 33 and name HN )) 3.400 1.400 1.400 peak 2208 spectrum 1 weight 0.10000E+01 volume 0.22402E-02 ppm1 1.774 ppm2 7.208 CV 1 ASSI { 2211} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 77 and name HN )) 2.400 0.700 0.700 peak 2211 spectrum 1 weight 0.10000E+01 volume 0.38520E-02 ppm1 1.909 ppm2 8.002 CV 1 ASSI { 2214} (( segid " " and resid 52 and name HB1 )) ( segid " " and resid 56 and name HD% ) 3.200 1.300 1.300 peak 2214 spectrum 1 weight 0.10000E+01 volume 0.48425E-03 ppm1 2.214 ppm2 7.435 CV 1 ASSI { 2215} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 35 and name HZ )) 3.900 1.900 1.900 peak 2215 spectrum 1 weight 0.10000E+01 volume 0.72745E-03 ppm1 2.422 ppm2 6.898 CV 1 OR { 2215} (( segid " " and resid 74 and name HB1 )) ( segid " " and resid 35 and name HE% ) ASSI { 2216} (( segid " " and resid 72 and name HD1 )) (( segid " " and resid 72 and name HH11)) 2.800 1.000 1.000 peak 2216 spectrum 1 weight 0.10000E+01 volume 0.26431E-02 ppm1 3.488 ppm2 6.891 CV 1 OR { 2216} (( segid " " and resid 72 and name HD1 )) (( segid " " and resid 72 and name HH12)) OR { 2216} (( segid " " and resid 72 and name HD1 )) (( segid " " and resid 72 and name HH22)) ASSI { 2217} (( segid " " and resid 72 and name HD2 )) (( segid " " and resid 72 and name HH11)) 2.900 1.100 1.100 peak 2217 spectrum 1 weight 0.10000E+01 volume 0.22292E-02 ppm1 3.018 ppm2 6.894 CV 1 OR { 2217} (( segid " " and resid 72 and name HD2 )) (( segid " " and resid 72 and name HH12)) OR { 2217} (( segid " " and resid 72 and name HD2 )) (( segid " " and resid 72 and name HH22)) ASSI { 2218} (( segid " " and resid 82 and name HB1 )) (( segid " " and resid 79 and name HA )) 3.700 1.700 1.700 peak 2218 spectrum 1 weight 0.10000E+01 volume 0.26136E-02 ppm1 2.007 ppm2 4.905 CV 1 ASSI { 2219} (( segid " " and resid 82 and name HB2 )) (( segid " " and resid 79 and name HA )) 2.900 1.000 1.000 peak 2219 spectrum 1 weight 0.10000E+01 volume 0.15444E-02 ppm1 1.554 ppm2 4.904 CV 1 ASSI { 2220} (( segid " " and resid 5 and name HB1 )) (( segid " " and resid 5 and name HA )) 2.500 0.800 0.800 peak 2220 spectrum 1 weight 0.10000E+01 volume 0.24619E-02 ppm1 1.581 ppm2 4.524 CV 1 ASSI { 2222} (( segid " " and resid 4 and name HB2 )) (( segid " " and resid 4 and name HA )) 3.100 1.200 1.200 peak 2222 spectrum 1 weight 0.10000E+01 volume 0.23655E-02 ppm1 1.477 ppm2 4.356 CV 1 ASSI { 2226} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 49 and name HA )) 3.000 1.100 1.100 peak 2226 spectrum 1 weight 0.10000E+01 volume 0.99076E-03 ppm1 1.443 ppm2 3.950 CV 1 ASSI { 2227} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 75 and name HA )) 2.500 0.800 0.800 peak 2227 spectrum 1 weight 0.10000E+01 volume 0.27433E-02 ppm1 1.549 ppm2 3.885 CV 1 ASSI { 2228} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 72 and name HA )) 3.300 1.400 1.400 peak 2228 spectrum 1 weight 0.10000E+01 volume 0.12187E-02 ppm1 1.547 ppm2 3.605 CV 1 ASSI { 2229} (( segid " " and resid 33 and name HB1 )) (( segid " " and resid 33 and name HA )) 2.700 0.900 0.900 peak 2229 spectrum 1 weight 0.10000E+01 volume 0.20226E-02 ppm1 1.772 ppm2 4.314 CV 1 ASSI { 2230} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 74 and name HA )) 2.500 0.800 0.800 peak 2230 spectrum 1 weight 0.10000E+01 volume 0.22197E-02 ppm1 1.694 ppm2 4.304 CV 1 ASSI { 2231} (( segid " " and resid 5 and name HB1 )) (( segid " " and resid 9 and name HB1 )) 3.400 1.400 1.400 peak 2231 spectrum 1 weight 0.10000E+01 volume 0.76633E-03 ppm1 1.576 ppm2 3.042 CV 1 ASSI { 2232} (( segid " " and resid 5 and name HB1 )) (( segid " " and resid 9 and name HB2 )) 2.800 1.000 1.000 peak 2232 spectrum 1 weight 0.10000E+01 volume 0.47808E-03 ppm1 1.585 ppm2 2.701 CV 1 ASSI { 2234} (( segid " " and resid 82 and name HB2 )) (( segid " " and resid 82 and name HB1 )) 1.700 0.300 0.500 peak 2234 spectrum 1 weight 0.10000E+01 volume 0.14116E-01 ppm1 1.555 ppm2 2.007 CV 1 ASSI { 2235} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 75 and name HB1 )) 1.800 0.400 0.400 peak 2235 spectrum 1 weight 0.10000E+01 volume 0.81327E-02 ppm1 1.546 ppm2 2.190 CV 1 ASSI { 2236} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 52 and name HB1 )) 1.600 0.300 0.600 peak 2236 spectrum 1 weight 0.10000E+01 volume 0.10494E-01 ppm1 1.445 ppm2 2.212 CV 1 ASSI { 2238} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 52 and name HG )) 2.600 0.900 0.900 peak 2238 spectrum 1 weight 0.10000E+01 volume 0.19572E-02 ppm1 1.444 ppm2 2.038 CV 1 ASSI { 2239} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 49 and name HA )) 3.900 1.900 1.900 peak 2239 spectrum 1 weight 0.10000E+01 volume 0.18077E-02 ppm1 2.212 ppm2 3.949 CV 1 ASSI { 2242} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 52 and name HA )) 2.500 0.800 0.800 peak 2242 spectrum 1 weight 0.10000E+01 volume 0.23630E-02 ppm1 2.211 ppm2 4.306 CV 1 ASSI { 2245} (( segid " " and resid 72 and name HD1 )) (( segid " " and resid 72 and name HA )) 4.400 2.400 1.600 peak 2245 spectrum 1 weight 0.10000E+01 volume 0.94733E-03 ppm1 3.487 ppm2 3.608 CV 1 ASSI { 2247} (( segid " " and resid 33 and name HB1 )) (( segid " " and resid 33 and name HB2 )) 1.700 0.400 0.500 peak 2247 spectrum 1 weight 0.10000E+01 volume 0.11281E-01 ppm1 1.774 ppm2 1.407 CV 1 ASSI { 2248} (( segid " " and resid 5 and name HB1 )) (( segid " " and resid 5 and name HB2 )) 1.500 0.300 0.700 peak 2248 spectrum 1 weight 0.10000E+01 volume 0.13189E-01 ppm1 1.579 ppm2 1.356 CV 1 ASSI { 2252} (( segid " " and resid 33 and name HB2 )) (( segid " " and resid 33 and name HB1 )) 1.700 0.400 0.500 peak 2252 spectrum 1 weight 0.10000E+01 volume 0.13524E-01 ppm1 1.408 ppm2 1.774 CV 1 OR { 2252} (( segid " " and resid 33 and name HB2 )) (( segid " " and resid 33 and name HG )) ASSI { 2253} (( segid " " and resid 5 and name HB2 )) (( segid " " and resid 5 and name HB1 )) 1.600 0.300 0.600 peak 2253 spectrum 1 weight 0.10000E+01 volume 0.12312E-01 ppm1 1.355 ppm2 1.571 CV 1 OR { 2253} (( segid " " and resid 5 and name HB2 )) (( segid " " and resid 5 and name HG )) ASSI { 2264} (( segid " " and resid 75 and name HB1 )) ( segid " " and resid 10 and name HD2%) 3.900 1.900 1.900 peak 2264 spectrum 1 weight 0.10000E+01 volume 0.18884E-02 ppm1 2.189 ppm2 1.123 CV 1 ASSI { 2268} (( segid " " and resid 75 and name HB1 )) (( segid " " and resid 75 and name HG )) 2.500 0.800 0.800 peak 2268 spectrum 1 weight 0.10000E+01 volume 0.32805E-02 ppm1 2.191 ppm2 1.684 CV 1 ASSI { 2270} (( segid " " and resid 72 and name HD2 )) (( segid " " and resid 72 and name HB1 )) 3.100 1.200 1.200 peak 2270 spectrum 1 weight 0.10000E+01 volume 0.12055E-02 ppm1 3.015 ppm2 1.861 CV 1 ASSI { 2271} (( segid " " and resid 72 and name HD2 )) (( segid " " and resid 72 and name HG1 )) 2.700 0.900 0.900 peak 2271 spectrum 1 weight 0.10000E+01 volume 0.39502E-02 ppm1 3.018 ppm2 1.635 CV 1 OR { 2271} (( segid " " and resid 72 and name HD2 )) (( segid " " and resid 72 and name HB2 )) ASSI { 2272} (( segid " " and resid 72 and name HD2 )) (( segid " " and resid 72 and name HG2 )) 2.700 0.900 0.900 peak 2272 spectrum 1 weight 0.10000E+01 volume 0.22727E-02 ppm1 3.018 ppm2 1.517 CV 1 ASSI { 2273} (( segid " " and resid 72 and name HD1 )) (( segid " " and resid 72 and name HB1 )) 3.500 1.500 1.500 peak 2273 spectrum 1 weight 0.10000E+01 volume 0.12068E-02 ppm1 3.492 ppm2 1.861 CV 1 ASSI { 2274} (( segid " " and resid 72 and name HD1 )) (( segid " " and resid 72 and name HG1 )) 2.600 0.900 0.900 peak 2274 spectrum 1 weight 0.10000E+01 volume 0.30511E-02 ppm1 3.492 ppm2 1.643 CV 1 ASSI { 2275} (( segid " " and resid 72 and name HD1 )) (( segid " " and resid 72 and name HG2 )) 2.700 0.900 0.900 peak 2275 spectrum 1 weight 0.10000E+01 volume 0.27259E-02 ppm1 3.490 ppm2 1.512 CV 1 ASSI { 2276} (( segid " " and resid 82 and name HB2 )) ( segid " " and resid 82 and name HD2%) 2.400 0.700 0.700 peak 2276 spectrum 1 weight 0.10000E+01 volume 0.89047E-02 ppm1 1.558 ppm2 0.981 CV 1 OR { 2276} (( segid " " and resid 82 and name HB2 )) ( segid " " and resid 82 and name HD1%) ASSI { 2283} (( segid " " and resid 72 and name HD1 )) ( segid " " and resid 31 and name HD2%) 4.700 2.800 1.300 peak 2283 spectrum 1 weight 0.10000E+01 volume 0.32591E-03 ppm1 3.492 ppm2 0.770 CV 1 ASSI { 2286} (( segid " " and resid 72 and name HD1 )) (( segid " " and resid 31 and name HB2 )) 5.100 3.200 0.900 peak 2286 spectrum 1 weight 0.10000E+01 volume 0.29071E-03 ppm1 3.495 ppm2 1.039 CV 1 ASSI { 2287} (( segid " " and resid 72 and name HD2 )) ( segid " " and resid 31 and name HD2%) 5.100 3.200 0.900 peak 2287 spectrum 1 weight 0.10000E+01 volume 0.21880E-03 ppm1 3.020 ppm2 0.772 CV 1 ASSI { 2290} (( segid " " and resid 75 and name HB1 )) ( segid " " and resid 31 and name HD1%) 3.400 3.400 2.600 peak 2290 spectrum 1 weight 0.10000E+01 volume 0.34621E-03 ppm1 2.182 ppm2 0.458 CV 1 ASSI { 2295} (( segid " " and resid 33 and name HB1 )) ( segid " " and resid 38 and name HD1%) 3.700 1.700 1.700 peak 2295 spectrum 1 weight 0.10000E+01 volume 0.10824E-02 ppm1 1.773 ppm2 0.872 CV 1 ASSI { 2308} (( segid " " and resid 52 and name HB2 )) ( segid " " and resid 56 and name HD% ) 4.800 2.800 1.200 peak 2308 spectrum 1 weight 0.10000E+01 volume 0.59504E-03 ppm1 1.442 ppm2 7.441 CV 1 ASSI { 2311} (( segid " " and resid 75 and name HB1 )) (( segid " " and resid 74 and name HN )) 4.500 2.500 1.500 peak 2311 spectrum 1 weight 0.10000E+01 volume 0.46657E-03 ppm1 2.192 ppm2 7.704 CV 1 ASSI { 2320} (( segid " " and resid 69 and name HB1 )) (( segid " " and resid 69 and name HN )) 3.500 1.500 1.500 peak 2320 spectrum 1 weight 0.10000E+01 volume 0.31199E-02 ppm1 3.007 ppm2 9.098 CV 1 ASSI { 2321} (( segid " " and resid 69 and name HB2 )) (( segid " " and resid 69 and name HN )) 2.600 0.900 0.900 peak 2321 spectrum 1 weight 0.10000E+01 volume 0.25632E-02 ppm1 2.877 ppm2 9.098 CV 1 ASSI { 2327} (( segid " " and resid 55 and name HD1 )) ( segid " " and resid 56 and name HE% ) 3.200 1.300 1.300 peak 2327 spectrum 1 weight 0.10000E+01 volume 0.11040E-02 ppm1 3.091 ppm2 6.809 CV 1 ASSI { 2328} (( segid " " and resid 55 and name HD2 )) ( segid " " and resid 56 and name HE% ) 3.300 1.400 1.400 peak 2328 spectrum 1 weight 0.10000E+01 volume 0.10002E-02 ppm1 3.012 ppm2 6.810 CV 1 ASSI { 2329} (( segid " " and resid 69 and name HB1 )) (( segid " " and resid 70 and name HN )) 4.000 2.000 2.000 peak 2329 spectrum 1 weight 0.10000E+01 volume 0.11161E-02 ppm1 3.007 ppm2 7.473 CV 1 ASSI { 2331} (( segid " " and resid 55 and name HD1 )) ( segid " " and resid 56 and name HD% ) 4.200 2.300 1.800 peak 2331 spectrum 1 weight 0.10000E+01 volume 0.32330E-03 ppm1 3.092 ppm2 7.438 CV 1 ASSI { 2333} (( segid " " and resid 55 and name HD2 )) (( segid " " and resid 55 and name HE )) 3.900 1.900 1.900 peak 2333 spectrum 1 weight 0.10000E+01 volume 0.35542E-03 ppm1 3.015 ppm2 7.184 CV 1 ASSI { 2339} (( segid " " and resid 51 and name HD2 )) (( segid " " and resid 51 and name HE )) 3.200 1.300 1.300 peak 2339 spectrum 1 weight 0.10000E+01 volume 0.11279E-02 ppm1 3.301 ppm2 7.541 CV 1 ASSI { 2340} (( segid " " and resid 51 and name HD1 )) (( segid " " and resid 51 and name HE )) 3.000 1.200 1.200 peak 2340 spectrum 1 weight 0.10000E+01 volume 0.13456E-02 ppm1 3.440 ppm2 7.554 CV 1 ASSI { 2341} (( segid " " and resid 34 and name HD1 )) (( segid " " and resid 34 and name HE )) 3.000 1.100 1.100 peak 2341 spectrum 1 weight 0.10000E+01 volume 0.17865E-02 ppm1 3.444 ppm2 7.990 CV 1 ASSI { 2350} (( segid " " and resid 67 and name HD1 )) (( segid " " and resid 67 and name HE )) 3.000 1.100 1.100 peak 2350 spectrum 1 weight 0.10000E+01 volume 0.17951E-02 ppm1 3.266 ppm2 7.396 CV 1 OR { 2350} (( segid " " and resid 67 and name HD2 )) (( segid " " and resid 67 and name HE )) ASSI { 2358} (( segid " " and resid 34 and name HD1 )) (( segid " " and resid 34 and name HA )) 5.500 3.800 0.500 peak 2358 spectrum 1 weight 0.10000E+01 volume 0.25718E-03 ppm1 3.446 ppm2 4.734 CV 1 ASSI { 2359} (( segid " " and resid 34 and name HD2 )) (( segid " " and resid 34 and name HA )) 5.700 4.000 0.300 peak 2359 spectrum 1 weight 0.10000E+01 volume 0.19572E-03 ppm1 3.342 ppm2 4.734 CV 1 ASSI { 2360} (( segid " " and resid 67 and name HD1 )) (( segid " " and resid 67 and name HA )) 4.400 2.400 1.600 peak 2360 spectrum 1 weight 0.10000E+01 volume 0.75022E-03 ppm1 3.268 ppm2 4.618 CV 1 OR { 2360} (( segid " " and resid 67 and name HD2 )) (( segid " " and resid 67 and name HA )) ASSI { 2363} (( segid " " and resid 12 and name HD1 )) (( segid " " and resid 9 and name HA )) 3.800 1.800 1.800 peak 2363 spectrum 1 weight 0.10000E+01 volume 0.43397E-03 ppm1 3.368 ppm2 4.539 CV 1 ASSI { 2365} (( segid " " and resid 51 and name HD1 )) (( segid " " and resid 13 and name HA )) 3.300 1.300 1.300 peak 2365 spectrum 1 weight 0.10000E+01 volume 0.60976E-03 ppm1 3.439 ppm2 4.399 CV 1 ASSI { 2369} (( segid " " and resid 51 and name HD2 )) (( segid " " and resid 51 and name HA )) 4.300 2.300 1.700 peak 2369 spectrum 1 weight 0.10000E+01 volume 0.66021E-03 ppm1 3.295 ppm2 4.233 CV 1 ASSI { 2375} (( segid " " and resid 69 and name HB2 )) (( segid " " and resid 68 and name HA )) 5.000 3.100 1.000 peak 2375 spectrum 1 weight 0.10000E+01 volume 0.57521E-03 ppm1 2.880 ppm2 4.437 CV 1 ASSI { 2377} (( segid " " and resid 12 and name HD2 )) (( segid " " and resid 12 and name HA )) 4.700 2.800 1.300 peak 2377 spectrum 1 weight 0.10000E+01 volume 0.51040E-03 ppm1 3.307 ppm2 4.034 CV 1 ASSI { 2380} (( segid " " and resid 67 and name HD2 )) (( segid " " and resid 64 and name HA )) 3.900 1.900 1.900 peak 2380 spectrum 1 weight 0.10000E+01 volume 0.67679E-03 ppm1 3.277 ppm2 3.829 CV 1 OR { 2380} (( segid " " and resid 67 and name HD1 )) (( segid " " and resid 64 and name HA )) ASSI { 2385} (( segid " " and resid 55 and name HD1 )) (( segid " " and resid 55 and name HB1 )) 3.300 1.400 1.400 peak 2385 spectrum 1 weight 0.10000E+01 volume 0.13881E-02 ppm1 3.092 ppm2 1.897 CV 1 ASSI { 2387} (( segid " " and resid 55 and name HD1 )) (( segid " " and resid 55 and name HB2 )) 3.500 1.500 1.500 peak 2387 spectrum 1 weight 0.10000E+01 volume 0.11584E-02 ppm1 3.093 ppm2 1.617 CV 1 ASSI { 2388} (( segid " " and resid 55 and name HD2 )) (( segid " " and resid 55 and name HB2 )) 3.000 1.200 1.200 peak 2388 spectrum 1 weight 0.10000E+01 volume 0.13437E-02 ppm1 3.015 ppm2 1.615 CV 1 ASSI { 2389} (( segid " " and resid 69 and name HB2 )) (( segid " " and resid 34 and name HG2 )) 4.700 2.700 1.300 peak 2389 spectrum 1 weight 0.10000E+01 volume 0.20529E-03 ppm1 2.872 ppm2 1.618 CV 1 ASSI { 2397} (( segid " " and resid 51 and name HD1 )) (( segid " " and resid 51 and name HG2 )) 2.500 0.800 0.800 peak 2397 spectrum 1 weight 0.10000E+01 volume 0.31957E-02 ppm1 3.441 ppm2 1.732 CV 1 ASSI { 2398} (( segid " " and resid 34 and name HD1 )) (( segid " " and resid 34 and name HG2 )) 2.800 1.000 1.000 peak 2398 spectrum 1 weight 0.10000E+01 volume 0.33006E-02 ppm1 3.444 ppm2 1.627 CV 1 ASSI { 2406} (( segid " " and resid 12 and name HD1 )) (( segid " " and resid 12 and name HB1 )) 2.700 0.900 0.900 peak 2406 spectrum 1 weight 0.10000E+01 volume 0.24372E-02 ppm1 3.368 ppm2 2.021 CV 1 OR { 2406} (( segid " " and resid 12 and name HD1 )) (( segid " " and resid 12 and name HB2 )) ASSI { 2410} (( segid " " and resid 55 and name HD1 )) (( segid " " and resid 55 and name HG1 )) 2.800 1.000 1.000 peak 2410 spectrum 1 weight 0.10000E+01 volume 0.20942E-02 ppm1 3.092 ppm2 1.361 CV 1 ASSI { 2411} (( segid " " and resid 55 and name HD2 )) (( segid " " and resid 55 and name HG1 )) 2.900 1.100 1.100 peak 2411 spectrum 1 weight 0.10000E+01 volume 0.21592E-02 ppm1 3.012 ppm2 1.363 CV 1 ASSI { 2414} (( segid " " and resid 55 and name HD2 )) (( segid " " and resid 55 and name HG2 )) 2.600 0.900 0.900 peak 2414 spectrum 1 weight 0.10000E+01 volume 0.30798E-02 ppm1 3.012 ppm2 0.986 CV 1 ASSI { 2418} (( segid " " and resid 11 and name HD2 )) (( segid " " and resid 11 and name HG1 )) 2.500 0.800 0.800 peak 2418 spectrum 1 weight 0.10000E+01 volume 0.37379E-02 ppm1 3.191 ppm2 1.401 CV 1 ASSI { 2419} (( segid " " and resid 11 and name HD2 )) (( segid " " and resid 11 and name HG2 )) 2.800 1.000 1.000 peak 2419 spectrum 1 weight 0.10000E+01 volume 0.30675E-02 ppm1 3.195 ppm2 1.161 CV 1 ASSI { 2421} (( segid " " and resid 34 and name HD2 )) ( segid " " and resid 70 and name HG2%) 4.400 2.400 1.600 peak 2421 spectrum 1 weight 0.10000E+01 volume 0.45219E-03 ppm1 3.352 ppm2 1.072 CV 1 ASSI { 2426} (( segid " " and resid 28 and name HA1 )) (( segid " " and resid 28 and name HN )) 2.900 1.000 1.000 peak 2426 spectrum 1 weight 0.10000E+01 volume 0.39864E-02 ppm1 4.254 ppm2 8.557 CV 1 ASSI { 2429} (( segid " " and resid 28 and name HA2 )) (( segid " " and resid 29 and name HN )) 2.700 0.900 0.900 peak 2429 spectrum 1 weight 0.10000E+01 volume 0.52993E-02 ppm1 3.870 ppm2 8.666 CV 1 ASSI { 2430} (( segid " " and resid 28 and name HA2 )) (( segid " " and resid 28 and name HN )) 2.500 0.800 0.800 peak 2430 spectrum 1 weight 0.10000E+01 volume 0.42125E-02 ppm1 3.870 ppm2 8.558 CV 1 ASSI { 2431} (( segid " " and resid 66 and name HA1 )) (( segid " " and resid 66 and name HN )) 2.400 0.700 0.700 peak 2431 spectrum 1 weight 0.10000E+01 volume 0.46116E-02 ppm1 4.112 ppm2 8.035 CV 1 ASSI { 2433} (( segid " " and resid 66 and name HA1 )) (( segid " " and resid 67 and name HN )) 3.300 1.300 1.300 peak 2433 spectrum 1 weight 0.10000E+01 volume 0.13001E-02 ppm1 4.113 ppm2 7.495 CV 1 ASSI { 2434} (( segid " " and resid 66 and name HA1 )) (( segid " " and resid 68 and name HN )) 5.200 3.400 0.800 peak 2434 spectrum 1 weight 0.10000E+01 volume 0.26885E-03 ppm1 4.104 ppm2 7.325 CV 1 ASSI { 2435} (( segid " " and resid 66 and name HA2 )) (( segid " " and resid 66 and name HN )) 2.800 1.000 1.000 peak 2435 spectrum 1 weight 0.10000E+01 volume 0.56798E-02 ppm1 3.884 ppm2 8.036 CV 1 ASSI { 2436} (( segid " " and resid 23 and name HA2 )) (( segid " " and resid 24 and name HN )) 2.700 0.900 0.900 peak 2436 spectrum 1 weight 0.10000E+01 volume 0.51063E-02 ppm1 4.072 ppm2 8.132 CV 1 OR { 2436} (( segid " " and resid 23 and name HA1 )) (( segid " " and resid 24 and name HN )) ASSI { 2437} (( segid " " and resid 19 and name HA1 )) (( segid " " and resid 19 and name HN )) 2.500 0.800 0.800 peak 2437 spectrum 1 weight 0.10000E+01 volume 0.65293E-02 ppm1 4.057 ppm2 8.243 CV 1 OR { 2437} (( segid " " and resid 19 and name HA1 )) (( segid " " and resid 19 and name HN )) OR { 2437} (( segid " " and resid 19 and name HA2 )) (( segid " " and resid 19 and name HN )) OR { 2437} (( segid " " and resid 19 and name HA2 )) (( segid " " and resid 19 and name HN )) ASSI { 2439} (( segid " " and resid 66 and name HA2 )) (( segid " " and resid 67 and name HN )) 3.500 1.500 1.500 peak 2439 spectrum 1 weight 0.10000E+01 volume 0.13266E-02 ppm1 3.885 ppm2 7.495 CV 1 ASSI { 2444} (( segid " " and resid 66 and name HA2 )) (( segid " " and resid 46 and name HG2 )) 4.100 2.100 1.900 peak 2444 spectrum 1 weight 0.10000E+01 volume 0.20483E-03 ppm1 3.894 ppm2 2.752 CV 1 ASSI { 2446} (( segid " " and resid 28 and name HA2 )) (( segid " " and resid 29 and name HB1 )) 5.000 3.100 1.000 peak 2446 spectrum 1 weight 0.10000E+01 volume 0.30033E-03 ppm1 3.870 ppm2 2.887 CV 1 ASSI { 2447} (( segid " " and resid 23 and name HA2 )) (( segid " " and resid 22 and name HB1 )) 4.200 2.200 1.800 peak 2447 spectrum 1 weight 0.10000E+01 volume 0.80408E-03 ppm1 4.075 ppm2 2.839 CV 1 OR { 2447} (( segid " " and resid 23 and name HA2 )) (( segid " " and resid 22 and name HB2 )) OR { 2447} (( segid " " and resid 23 and name HA1 )) (( segid " " and resid 22 and name HB1 )) OR { 2447} (( segid " " and resid 23 and name HA1 )) (( segid " " and resid 22 and name HB2 )) ASSI { 2461} (( segid " " and resid 66 and name HA1 )) ( segid " " and resid 45 and name HD2%) 5.400 3.600 0.600 peak 2461 spectrum 1 weight 0.10000E+01 volume 0.24859E-03 ppm1 4.109 ppm2 0.344 CV 1 ASSI { 2462} (( segid " " and resid 66 and name HA1 )) ( segid " " and resid 45 and name HD1%) 5.400 3.700 0.600 peak 2462 spectrum 1 weight 0.10000E+01 volume 0.26976E-03 ppm1 4.117 ppm2 0.233 CV 1 ASSI { 2463} (( segid " " and resid 66 and name HA2 )) ( segid " " and resid 45 and name HD2%) 5.100 3.300 0.900 peak 2463 spectrum 1 weight 0.10000E+01 volume 0.12063E-03 ppm1 3.888 ppm2 0.344 CV 1 ASSI { 2464} (( segid " " and resid 66 and name HA2 )) ( segid " " and resid 45 and name HD1%) 4.400 2.400 1.600 peak 2464 spectrum 1 weight 0.10000E+01 volume 0.12825E-03 ppm1 3.891 ppm2 0.226 CV 1 ASSI { 2475} (( segid " " and resid 80 and name HA1 )) (( segid " " and resid 81 and name HN )) 2.800 1.000 1.000 peak 2475 spectrum 1 weight 0.10000E+01 volume 0.35655E-02 ppm1 4.019 ppm2 7.585 CV 1 OR { 2475} (( segid " " and resid 80 and name HA2 )) (( segid " " and resid 81 and name HN )) ASSI { 2476} (( segid " " and resid 39 and name HA1 )) (( segid " " and resid 39 and name HN )) 2.900 1.000 1.000 peak 2476 spectrum 1 weight 0.10000E+01 volume 0.54258E-02 ppm1 4.257 ppm2 7.714 CV 1 ASSI { 2477} (( segid " " and resid 39 and name HA2 )) (( segid " " and resid 39 and name HN )) 2.300 0.700 0.700 peak 2477 spectrum 1 weight 0.10000E+01 volume 0.67906E-02 ppm1 3.876 ppm2 7.713 CV 1 ASSI { 2478} (( segid " " and resid 39 and name HA1 )) (( segid " " and resid 40 and name HN )) 3.300 1.400 1.400 peak 2478 spectrum 1 weight 0.10000E+01 volume 0.15399E-02 ppm1 4.257 ppm2 8.060 CV 1 ASSI { 2479} (( segid " " and resid 80 and name HA1 )) (( segid " " and resid 80 and name HN )) 2.200 0.600 0.600 peak 2479 spectrum 1 weight 0.10000E+01 volume 0.10581E-01 ppm1 4.020 ppm2 8.417 CV 1 OR { 2479} (( segid " " and resid 80 and name HA2 )) (( segid " " and resid 80 and name HN )) ASSI { 2481} (( segid " " and resid 80 and name HA2 )) (( segid " " and resid 83 and name HN )) 3.500 1.600 1.600 peak 2481 spectrum 1 weight 0.10000E+01 volume 0.87638E-03 ppm1 4.020 ppm2 7.954 CV 1 OR { 2481} (( segid " " and resid 80 and name HA1 )) (( segid " " and resid 83 and name HN )) ASSI { 2485} (( segid " " and resid 80 and name HA2 )) (( segid " " and resid 79 and name HA )) 4.800 2.800 1.200 peak 2485 spectrum 1 weight 0.10000E+01 volume 0.29403E-03 ppm1 4.018 ppm2 4.901 CV 1 OR { 2485} (( segid " " and resid 80 and name HA1 )) (( segid " " and resid 79 and name HA )) ASSI { 2490} (( segid " " and resid 80 and name HA1 )) (( segid " " and resid 81 and name HA )) 3.700 1.700 1.700 peak 2490 spectrum 1 weight 0.10000E+01 volume 0.86657E-03 ppm1 4.019 ppm2 4.463 CV 1 OR { 2490} (( segid " " and resid 80 and name HA2 )) (( segid " " and resid 81 and name HA )) ASSI { 2492} (( segid " " and resid 80 and name HA2 )) (( segid " " and resid 79 and name HB1 )) 4.700 2.800 1.300 peak 2492 spectrum 1 weight 0.10000E+01 volume 0.39035E-03 ppm1 4.019 ppm2 3.099 CV 1 OR { 2492} (( segid " " and resid 80 and name HA1 )) (( segid " " and resid 79 and name HB1 )) ASSI { 2497} (( segid " " and resid 80 and name HA1 )) (( segid " " and resid 78 and name HA )) 4.400 2.500 1.600 peak 2497 spectrum 1 weight 0.10000E+01 volume 0.42483E-03 ppm1 4.018 ppm2 3.746 CV 1 OR { 2497} (( segid " " and resid 80 and name HA2 )) (( segid " " and resid 78 and name HA )) ASSI { 2501} (( segid " " and resid 57 and name HA1 )) (( segid " " and resid 58 and name HN )) 2.700 0.900 0.900 peak 2501 spectrum 1 weight 0.10000E+01 volume 0.35878E-02 ppm1 4.088 ppm2 7.525 CV 1 OR { 2501} (( segid " " and resid 57 and name HA2 )) (( segid " " and resid 58 and name HN )) ASSI { 2502} (( segid " " and resid 57 and name HA1 )) (( segid " " and resid 56 and name HN )) 4.400 2.400 1.600 peak 2502 spectrum 1 weight 0.10000E+01 volume 0.13962E-02 ppm1 4.087 ppm2 8.116 CV 1 OR { 2502} (( segid " " and resid 57 and name HA2 )) (( segid " " and resid 56 and name HN )) ASSI { 2503} (( segid " " and resid 57 and name HA1 )) (( segid " " and resid 57 and name HN )) 2.200 0.600 0.600 peak 2503 spectrum 1 weight 0.10000E+01 volume 0.11413E-01 ppm1 4.088 ppm2 7.963 CV 1 OR { 2503} (( segid " " and resid 57 and name HA2 )) (( segid " " and resid 57 and name HN )) ASSI { 2505} (( segid " " and resid 57 and name HA2 )) (( segid " " and resid 56 and name HB1 )) 5.300 3.500 0.700 peak 2505 spectrum 1 weight 0.10000E+01 volume 0.17533E-03 ppm1 4.089 ppm2 3.456 CV 1 OR { 2505} (( segid " " and resid 57 and name HA1 )) (( segid " " and resid 56 and name HB1 )) ASSI { 2510} (( segid " " and resid 61 and name HD1 )) (( segid " " and resid 60 and name HB )) 4.000 2.000 2.000 peak 2510 spectrum 1 weight 0.10000E+01 volume 0.13150E-02 ppm1 4.009 ppm2 1.787 CV 1 ASSI { 2511} (( segid " " and resid 61 and name HD2 )) (( segid " " and resid 60 and name HB )) 3.900 1.900 1.900 peak 2511 spectrum 1 weight 0.10000E+01 volume 0.13005E-02 ppm1 3.572 ppm2 1.787 CV 1 ASSI { 2513} (( segid " " and resid 71 and name HD1 )) (( segid " " and resid 71 and name HG2 )) 3.000 1.100 1.100 peak 2513 spectrum 1 weight 0.10000E+01 volume 0.15226E-02 ppm1 4.026 ppm2 1.311 CV 1 ASSI { 2514} (( segid " " and resid 71 and name HD2 )) ( segid " " and resid 70 and name HG2%) 4.000 2.000 2.000 peak 2514 spectrum 1 weight 0.10000E+01 volume 0.10657E-02 ppm1 2.809 ppm2 1.071 CV 1 ASSI { 2518} (( segid " " and resid 61 and name HD2 )) ( segid " " and resid 60 and name HD1%) 4.800 2.800 1.200 peak 2518 spectrum 1 weight 0.10000E+01 volume 0.39873E-03 ppm1 3.571 ppm2 0.836 CV 1 ASSI { 2519} (( segid " " and resid 71 and name HD1 )) ( segid " " and resid 70 and name HG2%) 3.800 1.800 1.800 peak 2519 spectrum 1 weight 0.10000E+01 volume 0.19030E-02 ppm1 4.027 ppm2 1.064 CV 1 ASSI { 2521} (( segid " " and resid 71 and name HD1 )) (( segid " " and resid 71 and name HB2 )) 3.800 1.800 1.800 peak 2521 spectrum 1 weight 0.10000E+01 volume 0.12782E-02 ppm1 4.023 ppm2 2.024 CV 1 ASSI { 2523} (( segid " " and resid 61 and name HD2 )) (( segid " " and resid 61 and name HG1 )) 2.400 0.700 0.700 peak 2523 spectrum 1 weight 0.10000E+01 volume 0.54609E-02 ppm1 3.572 ppm2 2.134 CV 1 OR { 2523} (( segid " " and resid 61 and name HD2 )) (( segid " " and resid 61 and name HG2 )) ASSI { 2527} (( segid " " and resid 71 and name HD2 )) (( segid " " and resid 71 and name HG1 )) 3.400 1.400 1.400 peak 2527 spectrum 1 weight 0.10000E+01 volume 0.15539E-02 ppm1 2.810 ppm2 2.179 CV 1 ASSI { 2530} (( segid " " and resid 71 and name HD2 )) (( segid " " and resid 70 and name HA )) 2.800 1.000 1.000 peak 2530 spectrum 1 weight 0.10000E+01 volume 0.36174E-02 ppm1 2.811 ppm2 4.953 CV 1 ASSI { 2532} (( segid " " and resid 61 and name HD1 )) (( segid " " and resid 60 and name HA )) 2.000 0.500 0.500 peak 2532 spectrum 1 weight 0.10000E+01 volume 0.95420E-02 ppm1 4.009 ppm2 4.655 CV 1 ASSI { 2533} (( segid " " and resid 61 and name HD2 )) (( segid " " and resid 60 and name HA )) 2.200 0.600 0.600 peak 2533 spectrum 1 weight 0.10000E+01 volume 0.62123E-02 ppm1 3.571 ppm2 4.655 CV 1 ASSI { 2534} (( segid " " and resid 61 and name HD1 )) (( segid " " and resid 61 and name HA )) 3.800 1.800 1.800 peak 2534 spectrum 1 weight 0.10000E+01 volume 0.65479E-03 ppm1 4.010 ppm2 4.532 CV 1 ASSI { 2535} (( segid " " and resid 61 and name HD2 )) (( segid " " and resid 61 and name HA )) 4.300 2.300 1.700 peak 2535 spectrum 1 weight 0.10000E+01 volume 0.43493E-03 ppm1 3.570 ppm2 4.531 CV 1 ASSI { 2537} (( segid " " and resid 61 and name HD2 )) (( segid " " and resid 64 and name HN )) 5.000 3.100 1.000 peak 2537 spectrum 1 weight 0.10000E+01 volume 0.30985E-03 ppm1 3.573 ppm2 7.400 CV 1 ASSI { 2538} (( segid " " and resid 71 and name HD2 )) ( segid " " and resid 35 and name HE% ) 4.700 2.800 1.300 peak 2538 spectrum 1 weight 0.10000E+01 volume 0.38195E-03 ppm1 2.812 ppm2 6.921 CV 1 ASSI { 2547} (( segid " " and resid 71 and name HD1 )) (( segid " " and resid 72 and name HN )) 4.100 2.100 1.900 peak 2547 spectrum 1 weight 0.10000E+01 volume 0.86553E-03 ppm1 4.027 ppm2 9.000 CV 1 ASSI { 2548} (( segid " " and resid 71 and name HD2 )) (( segid " " and resid 72 and name HN )) 3.400 1.500 1.500 peak 2548 spectrum 1 weight 0.10000E+01 volume 0.41237E-03 ppm1 2.810 ppm2 8.999 CV 1 ASSI { 2555} (( segid " " and resid 71 and name HD1 )) (( segid " " and resid 31 and name HA )) 4.600 2.700 1.400 peak 2555 spectrum 1 weight 0.10000E+01 volume 0.67472E-03 ppm1 4.023 ppm2 3.305 CV 1 ASSI { 2557} (( segid " " and resid 71 and name HD2 )) (( segid " " and resid 71 and name HB2 )) 3.400 1.500 1.500 peak 2557 spectrum 1 weight 0.10000E+01 volume 0.61720E-03 ppm1 2.809 ppm2 2.014 CV 1 ASSI { 2567} (( segid " " and resid 85 and name HA )) (( segid " " and resid 85 and name HN )) 2.900 1.000 1.000 peak 2567 spectrum 1 weight 0.10000E+01 volume 0.32189E-02 ppm1 4.472 ppm2 7.828 CV 1 ASSI { 2568} (( segid " " and resid 85 and name HA )) (( segid " " and resid 86 and name HN )) 3.100 1.200 1.200 peak 2568 spectrum 1 weight 0.10000E+01 volume 0.21289E-02 ppm1 4.472 ppm2 7.968 CV 1 ASSI { 2575} (( segid " " and resid 41 and name HA )) (( segid " " and resid 42 and name HN )) 2.800 1.000 1.000 peak 2575 spectrum 1 weight 0.10000E+01 volume 0.51996E-02 ppm1 4.745 ppm2 8.921 CV 1 ASSI { 2576} (( segid " " and resid 41 and name HA )) (( segid " " and resid 41 and name HN )) 3.000 1.100 1.100 peak 2576 spectrum 1 weight 0.10000E+01 volume 0.20731E-02 ppm1 4.743 ppm2 7.971 CV 1 ASSI { 2577} (( segid " " and resid 41 and name HA )) (( segid " " and resid 41 and name HB1 )) 2.600 0.800 0.800 peak 2577 spectrum 1 weight 0.10000E+01 volume 0.60646E-02 ppm1 4.745 ppm2 3.291 CV 1 ASSI { 2578} (( segid " " and resid 41 and name HA )) (( segid " " and resid 41 and name HB2 )) 2.700 0.900 0.900 peak 2578 spectrum 1 weight 0.10000E+01 volume 0.43301E-02 ppm1 4.745 ppm2 2.857 CV 1 ASSI { 2581} (( segid " " and resid 33 and name HA )) (( segid " " and resid 34 and name HN )) 2.300 0.600 0.600 peak 2581 spectrum 1 weight 0.10000E+01 volume 0.74594E-02 ppm1 4.313 ppm2 8.458 CV 1 ASSI { 2582} (( segid " " and resid 26 and name HA )) (( segid " " and resid 26 and name HN )) 2.700 0.900 0.900 peak 2582 spectrum 1 weight 0.10000E+01 volume 0.32021E-02 ppm1 4.357 ppm2 8.462 CV 1 ASSI { 2583} (( segid " " and resid 86 and name HA )) (( segid " " and resid 86 and name HN )) 3.300 1.400 1.400 peak 2583 spectrum 1 weight 0.10000E+01 volume 0.13954E-02 ppm1 4.221 ppm2 7.968 CV 1 ASSI { 2584} (( segid " " and resid 83 and name HA )) (( segid " " and resid 83 and name HN )) 2.600 0.800 0.800 peak 2584 spectrum 1 weight 0.10000E+01 volume 0.54067E-02 ppm1 4.280 ppm2 7.956 CV 1 ASSI { 2585} (( segid " " and resid 81 and name HA )) (( segid " " and resid 82 and name HN )) 3.300 1.400 1.400 peak 2585 spectrum 1 weight 0.10000E+01 volume 0.13713E-02 ppm1 4.458 ppm2 8.275 CV 1 ASSI { 2588} (( segid " " and resid 83 and name HA )) (( segid " " and resid 84 and name HN )) 2.900 1.100 1.100 peak 2588 spectrum 1 weight 0.10000E+01 volume 0.37478E-02 ppm1 4.279 ppm2 7.747 CV 1 ASSI { 2590} (( segid " " and resid 81 and name HA )) (( segid " " and resid 84 and name HN )) 3.400 1.500 1.500 peak 2590 spectrum 1 weight 0.10000E+01 volume 0.91196E-03 ppm1 4.456 ppm2 7.751 CV 1 ASSI { 2591} (( segid " " and resid 81 and name HA )) (( segid " " and resid 81 and name HN )) 2.700 0.900 0.900 peak 2591 spectrum 1 weight 0.10000E+01 volume 0.41976E-02 ppm1 4.456 ppm2 7.585 CV 1 ASSI { 2593} (( segid " " and resid 25 and name HA )) (( segid " " and resid 25 and name HN )) 3.000 1.100 1.100 peak 2593 spectrum 1 weight 0.10000E+01 volume 0.21283E-02 ppm1 4.707 ppm2 8.602 CV 1 ASSI { 2595} (( segid " " and resid 26 and name HA )) ( segid " " and resid 30 and name HD% ) 3.500 1.600 1.600 peak 2595 spectrum 1 weight 0.10000E+01 volume 0.99386E-03 ppm1 4.363 ppm2 7.314 CV 1 OR { 2595} (( segid " " and resid 26 and name HA )) (( segid " " and resid 30 and name HZ )) ASSI { 2596} (( segid " " and resid 32 and name HA )) (( segid " " and resid 32 and name HB1 )) 2.800 0.900 0.900 peak 2596 spectrum 1 weight 0.10000E+01 volume 0.40872E-02 ppm1 5.046 ppm2 3.031 CV 1 ASSI { 2598} (( segid " " and resid 25 and name HA )) (( segid " " and resid 25 and name HB2 )) 2.700 0.900 0.900 peak 2598 spectrum 1 weight 0.10000E+01 volume 0.36193E-02 ppm1 4.711 ppm2 2.754 CV 1 ASSI { 2600} (( segid " " and resid 26 and name HA )) (( segid " " and resid 30 and name HB1 )) 3.100 1.200 1.200 peak 2600 spectrum 1 weight 0.10000E+01 volume 0.10093E-02 ppm1 4.362 ppm2 3.291 CV 1 ASSI { 2601} (( segid " " and resid 26 and name HA )) (( segid " " and resid 30 and name HB2 )) 3.300 1.400 1.400 peak 2601 spectrum 1 weight 0.10000E+01 volume 0.14871E-02 ppm1 4.361 ppm2 3.014 CV 1 ASSI { 2608} (( segid " " and resid 26 and name HA )) (( segid " " and resid 26 and name HG )) 3.200 1.300 1.300 peak 2608 spectrum 1 weight 0.10000E+01 volume 0.16724E-02 ppm1 4.360 ppm2 1.573 CV 1 ASSI { 2610} (( segid " " and resid 33 and name HA )) (( segid " " and resid 33 and name HB2 )) 2.800 1.000 1.000 peak 2610 spectrum 1 weight 0.10000E+01 volume 0.44394E-02 ppm1 4.312 ppm2 1.409 CV 1 ASSI { 2614} (( segid " " and resid 33 and name HA )) (( segid " " and resid 33 and name HB1 )) 2.500 0.800 0.800 peak 2614 spectrum 1 weight 0.10000E+01 volume 0.40694E-02 ppm1 4.313 ppm2 1.774 CV 1 OR { 2614} (( segid " " and resid 33 and name HA )) (( segid " " and resid 33 and name HG )) ASSI { 2615} (( segid " " and resid 26 and name HA )) (( segid " " and resid 26 and name HB2 )) 2.500 0.800 0.800 peak 2615 spectrum 1 weight 0.10000E+01 volume 0.49598E-02 ppm1 4.361 ppm2 1.232 CV 1 ASSI { 2621} (( segid " " and resid 33 and name HA )) ( segid " " and resid 33 and name HD2%) 2.800 1.000 1.000 peak 2621 spectrum 1 weight 0.10000E+01 volume 0.25000E-02 ppm1 4.313 ppm2 1.065 CV 1 ASSI { 2639} (( segid " " and resid 69 and name HA )) (( segid " " and resid 70 and name HN )) 3.300 1.300 1.300 peak 2639 spectrum 1 weight 0.10000E+01 volume 0.12762E-02 ppm1 5.271 ppm2 7.472 CV 1 ASSI { 2640} (( segid " " and resid 69 and name HA )) ( segid " " and resid 35 and name HD% ) 2.700 0.900 0.900 peak 2640 spectrum 1 weight 0.10000E+01 volume 0.18355E-02 ppm1 5.267 ppm2 7.114 CV 1 ASSI { 2641} (( segid " " and resid 63 and name HA )) (( segid " " and resid 64 and name HN )) 3.000 1.100 1.100 peak 2641 spectrum 1 weight 0.10000E+01 volume 0.24058E-02 ppm1 4.519 ppm2 7.401 CV 1 ASSI { 2643} (( segid " " and resid 13 and name HA )) (( segid " " and resid 13 and name HN )) 2.700 0.900 0.900 peak 2643 spectrum 1 weight 0.10000E+01 volume 0.36778E-02 ppm1 4.399 ppm2 7.705 CV 1 ASSI { 2644} (( segid " " and resid 50 and name HA )) (( segid " " and resid 50 and name HN )) 2.600 0.900 0.900 peak 2644 spectrum 1 weight 0.10000E+01 volume 0.41339E-02 ppm1 4.257 ppm2 8.226 CV 1 ASSI { 2645} (( segid " " and resid 50 and name HA )) (( segid " " and resid 51 and name HN )) 3.400 1.500 1.500 peak 2645 spectrum 1 weight 0.10000E+01 volume 0.11616E-02 ppm1 4.257 ppm2 8.111 CV 1 ASSI { 2646} (( segid " " and resid 44 and name HA )) (( segid " " and resid 44 and name HN )) 2.700 0.900 0.900 peak 2646 spectrum 1 weight 0.10000E+01 volume 0.36323E-02 ppm1 4.308 ppm2 8.157 CV 1 ASSI { 2647} (( segid " " and resid 4 and name HA )) (( segid " " and resid 4 and name HN )) 2.700 0.900 0.900 peak 2647 spectrum 1 weight 0.10000E+01 volume 0.27504E-02 ppm1 4.358 ppm2 8.147 CV 1 ASSI { 2648} (( segid " " and resid 49 and name HA )) (( segid " " and resid 50 and name HN )) 3.300 1.400 1.400 peak 2648 spectrum 1 weight 0.10000E+01 volume 0.12525E-02 ppm1 3.952 ppm2 8.228 CV 1 ASSI { 2649} (( segid " " and resid 65 and name HA )) (( segid " " and resid 65 and name HN )) 2.700 0.900 0.900 peak 2649 spectrum 1 weight 0.10000E+01 volume 0.29220E-02 ppm1 3.986 ppm2 8.219 CV 1 ASSI { 2651} (( segid " " and resid 49 and name HA )) (( segid " " and resid 49 and name HN )) 2.600 0.900 0.900 peak 2651 spectrum 1 weight 0.10000E+01 volume 0.33016E-02 ppm1 3.950 ppm2 8.757 CV 1 ASSI { 2652} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HB1 )) 2.900 1.000 1.000 peak 2652 spectrum 1 weight 0.10000E+01 volume 0.43897E-02 ppm1 4.619 ppm2 2.072 CV 1 ASSI { 2653} (( segid " " and resid 63 and name HA )) (( segid " " and resid 63 and name HB1 )) 2.500 0.800 0.800 peak 2653 spectrum 1 weight 0.10000E+01 volume 0.83734E-02 ppm1 4.519 ppm2 2.824 CV 1 ASSI { 2654} (( segid " " and resid 63 and name HA )) (( segid " " and resid 63 and name HB2 )) 2.400 0.700 0.700 peak 2654 spectrum 1 weight 0.10000E+01 volume 0.89414E-02 ppm1 4.519 ppm2 2.739 CV 1 ASSI { 2655} (( segid " " and resid 49 and name HA )) (( segid " " and resid 52 and name HN )) 3.000 1.100 1.100 peak 2655 spectrum 1 weight 0.10000E+01 volume 0.14457E-02 ppm1 3.950 ppm2 8.415 CV 1 ASSI { 2656} (( segid " " and resid 50 and name HA )) (( segid " " and resid 53 and name HN )) 3.200 1.300 1.300 peak 2656 spectrum 1 weight 0.10000E+01 volume 0.14376E-02 ppm1 4.257 ppm2 8.960 CV 1 ASSI { 2657} (( segid " " and resid 44 and name HA )) (( segid " " and resid 47 and name HN )) 3.200 1.300 1.300 peak 2657 spectrum 1 weight 0.10000E+01 volume 0.18360E-02 ppm1 4.308 ppm2 8.492 CV 1 ASSI { 2658} (( segid " " and resid 4 and name HA )) (( segid " " and resid 5 and name HN )) 1.900 0.500 0.500 peak 2658 spectrum 1 weight 0.10000E+01 volume 0.10989E-01 ppm1 4.358 ppm2 9.429 CV 1 ASSI { 2659} (( segid " " and resid 5 and name HA )) (( segid " " and resid 5 and name HN )) 2.700 0.900 0.900 peak 2659 spectrum 1 weight 0.10000E+01 volume 0.21603E-02 ppm1 4.523 ppm2 9.426 CV 1 ASSI { 2660} (( segid " " and resid 5 and name HA )) (( segid " " and resid 6 and name HN )) 2.000 0.500 0.500 peak 2660 spectrum 1 weight 0.10000E+01 volume 0.10582E-01 ppm1 4.524 ppm2 9.030 CV 1 ASSI { 2661} (( segid " " and resid 63 and name HA )) (( segid " " and resid 63 and name HN )) 2.700 0.900 0.900 peak 2661 spectrum 1 weight 0.10000E+01 volume 0.43951E-02 ppm1 4.519 ppm2 8.620 CV 1 ASSI { 2662} (( segid " " and resid 63 and name HA )) (( segid " " and resid 65 and name HN )) 4.200 2.200 1.800 peak 2662 spectrum 1 weight 0.10000E+01 volume 0.50342E-03 ppm1 4.521 ppm2 8.223 CV 1 ASSI { 2664} (( segid " " and resid 13 and name HA )) (( segid " " and resid 14 and name HN )) 3.500 1.500 1.500 peak 2664 spectrum 1 weight 0.10000E+01 volume 0.97553E-03 ppm1 4.400 ppm2 8.408 CV 1 ASSI { 2666} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HN )) 2.800 1.000 1.000 peak 2666 spectrum 1 weight 0.10000E+01 volume 0.27963E-02 ppm1 4.615 ppm2 7.492 CV 1 ASSI { 2667} (( segid " " and resid 69 and name HA )) (( segid " " and resid 69 and name HN )) 2.900 1.100 1.100 peak 2667 spectrum 1 weight 0.10000E+01 volume 0.20973E-02 ppm1 5.266 ppm2 9.098 CV 1 ASSI { 2669} (( segid " " and resid 50 and name HA )) (( segid " " and resid 54 and name HN )) 4.000 2.000 2.000 peak 2669 spectrum 1 weight 0.10000E+01 volume 0.75110E-03 ppm1 4.255 ppm2 8.037 CV 1 ASSI { 2670} (( segid " " and resid 34 and name HA )) (( segid " " and resid 70 and name HA )) 3.200 1.300 1.300 peak 2670 spectrum 1 weight 0.10000E+01 volume 0.68355E-03 ppm1 4.733 ppm2 4.955 CV 1 ASSI { 2673} (( segid " " and resid 13 and name HA )) (( segid " " and resid 51 and name HD2 )) 4.100 2.100 1.900 peak 2673 spectrum 1 weight 0.10000E+01 volume 0.65381E-03 ppm1 4.399 ppm2 3.302 CV 1 ASSI { 2674} (( segid " " and resid 69 and name HA )) (( segid " " and resid 69 and name HB1 )) 2.500 0.800 0.800 peak 2674 spectrum 1 weight 0.10000E+01 volume 0.42445E-02 ppm1 5.267 ppm2 3.011 CV 1 ASSI { 2675} (( segid " " and resid 69 and name HA )) (( segid " " and resid 69 and name HB2 )) 2.900 1.100 1.100 peak 2675 spectrum 1 weight 0.10000E+01 volume 0.43328E-02 ppm1 5.267 ppm2 2.878 CV 1 ASSI { 2676} (( segid " " and resid 50 and name HA )) (( segid " " and resid 53 and name HB2 )) 2.500 0.800 0.800 peak 2676 spectrum 1 weight 0.10000E+01 volume 0.36567E-02 ppm1 4.257 ppm2 2.349 CV 1 ASSI { 2677} (( segid " " and resid 44 and name HA )) (( segid " " and resid 47 and name HB1 )) 2.700 0.900 0.900 peak 2677 spectrum 1 weight 0.10000E+01 volume 0.29624E-02 ppm1 4.307 ppm2 2.337 CV 1 ASSI { 2678} (( segid " " and resid 13 and name HA )) (( segid " " and resid 16 and name HG2 )) 3.900 3.900 2.100 peak 2678 spectrum 1 weight 0.10000E+01 volume 0.62815E-03 ppm1 4.394 ppm2 2.389 CV 1 ASSI { 2680} (( segid " " and resid 13 and name HA )) (( segid " " and resid 16 and name HB2 )) 3.200 1.300 1.300 peak 2680 spectrum 1 weight 0.10000E+01 volume 0.88082E-03 ppm1 4.396 ppm2 2.149 CV 1 ASSI { 2681} (( segid " " and resid 50 and name HA )) (( segid " " and resid 53 and name HB1 )) 3.800 1.800 1.800 peak 2681 spectrum 1 weight 0.10000E+01 volume 0.24206E-02 ppm1 4.256 ppm2 2.501 CV 1 ASSI { 2683} (( segid " " and resid 50 and name HA )) (( segid " " and resid 53 and name HG1 )) 3.100 1.200 1.200 peak 2683 spectrum 1 weight 0.10000E+01 volume 0.10970E-02 ppm1 4.257 ppm2 2.758 CV 1 ASSI { 2684} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HB2 )) 2.600 0.800 0.800 peak 2684 spectrum 1 weight 0.10000E+01 volume 0.33363E-02 ppm1 4.620 ppm2 1.849 CV 1 ASSI { 2685} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HG1 )) 2.800 1.000 1.000 peak 2685 spectrum 1 weight 0.10000E+01 volume 0.31049E-02 ppm1 4.616 ppm2 1.742 CV 1 OR { 2685} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HG2 )) ASSI { 2688} (( segid " " and resid 34 and name HA )) (( segid " " and resid 34 and name HG2 )) 2.700 0.900 0.900 peak 2688 spectrum 1 weight 0.10000E+01 volume 0.19536E-02 ppm1 4.734 ppm2 1.628 CV 1 ASSI { 2689} (( segid " " and resid 34 and name HA )) (( segid " " and resid 34 and name HB1 )) 2.700 0.900 0.900 peak 2689 spectrum 1 weight 0.10000E+01 volume 0.20495E-02 ppm1 4.735 ppm2 2.175 CV 1 ASSI { 2694} (( segid " " and resid 65 and name HA )) ( segid " " and resid 68 and name HG1%) 3.500 1.500 1.500 peak 2694 spectrum 1 weight 0.10000E+01 volume 0.18028E-02 ppm1 3.985 ppm2 1.128 CV 1 ASSI { 2699} (( segid " " and resid 4 and name HA )) (( segid " " and resid 5 and name HB2 )) 4.300 2.300 1.700 peak 2699 spectrum 1 weight 0.10000E+01 volume 0.68851E-03 ppm1 4.358 ppm2 1.367 CV 1 ASSI { 2701} (( segid " " and resid 50 and name HA )) ( segid " " and resid 50 and name HB% ) 2.200 0.600 0.600 peak 2701 spectrum 1 weight 0.10000E+01 volume 0.11669E-01 ppm1 4.257 ppm2 1.647 CV 1 ASSI { 2702} (( segid " " and resid 13 and name HA )) ( segid " " and resid 13 and name HB% ) 2.100 0.500 0.500 peak 2702 spectrum 1 weight 0.10000E+01 volume 0.11856E-01 ppm1 4.397 ppm2 1.669 CV 1 ASSI { 2703} (( segid " " and resid 5 and name HA )) (( segid " " and resid 5 and name HB1 )) 2.300 0.700 0.700 peak 2703 spectrum 1 weight 0.10000E+01 volume 0.53716E-02 ppm1 4.524 ppm2 1.571 CV 1 OR { 2703} (( segid " " and resid 5 and name HA )) (( segid " " and resid 5 and name HG )) ASSI { 2704} (( segid " " and resid 5 and name HA )) (( segid " " and resid 5 and name HB2 )) 2.800 0.900 0.900 peak 2704 spectrum 1 weight 0.10000E+01 volume 0.35133E-02 ppm1 4.523 ppm2 1.368 CV 1 ASSI { 2705} (( segid " " and resid 5 and name HA )) ( segid " " and resid 5 and name HD2%) 2.500 0.800 0.800 peak 2705 spectrum 1 weight 0.10000E+01 volume 0.37199E-02 ppm1 4.523 ppm2 0.625 CV 1 OR { 2705} (( segid " " and resid 5 and name HA )) ( segid " " and resid 5 and name HD1%) ASSI { 2725} (( segid " " and resid 65 and name HA )) (( segid " " and resid 67 and name HN )) 3.800 1.800 1.800 peak 2725 spectrum 1 weight 0.10000E+01 volume 0.67348E-03 ppm1 3.981 ppm2 7.489 CV 1 ASSI { 2726} (( segid " " and resid 65 and name HA )) (( segid " " and resid 68 and name HN )) 4.300 2.300 1.700 peak 2726 spectrum 1 weight 0.10000E+01 volume 0.58208E-03 ppm1 3.987 ppm2 7.318 CV 1 ASSI { 2730} (( segid " " and resid 13 and name HA )) (( segid " " and resid 16 and name HG1 )) 4.200 2.200 1.800 peak 2730 spectrum 1 weight 0.10000E+01 volume 0.44057E-03 ppm1 4.401 ppm2 2.616 CV 1 ASSI { 2731} (( segid " " and resid 44 and name HA )) (( segid " " and resid 47 and name HG1 )) 4.700 2.800 1.300 peak 2731 spectrum 1 weight 0.10000E+01 volume 0.55058E-03 ppm1 4.312 ppm2 2.609 CV 1 ASSI { 2735} (( segid " " and resid 4 and name HA )) ( segid " " and resid 5 and name HD2%) 4.500 2.600 1.500 peak 2735 spectrum 1 weight 0.10000E+01 volume 0.61549E-03 ppm1 4.364 ppm2 0.621 CV 1 OR { 2735} (( segid " " and resid 4 and name HA )) ( segid " " and resid 5 and name HD1%) ASSI { 2738} (( segid " " and resid 62 and name HA )) (( segid " " and resid 62 and name HN )) 2.700 0.900 0.900 peak 2738 spectrum 1 weight 0.10000E+01 volume 0.39630E-02 ppm1 4.451 ppm2 8.823 CV 1 ASSI { 2740} (( segid " " and resid 62 and name HA )) (( segid " " and resid 63 and name HN )) 3.100 1.200 1.200 peak 2740 spectrum 1 weight 0.10000E+01 volume 0.21732E-02 ppm1 4.451 ppm2 8.618 CV 1 ASSI { 2741} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HN )) 2.700 0.900 0.900 peak 2741 spectrum 1 weight 0.10000E+01 volume 0.35476E-02 ppm1 4.471 ppm2 8.478 CV 1 ASSI { 2743} (( segid " " and resid 82 and name HA )) (( segid " " and resid 82 and name HN )) 2.700 0.900 0.900 peak 2743 spectrum 1 weight 0.10000E+01 volume 0.28839E-02 ppm1 4.212 ppm2 8.275 CV 1 ASSI { 2744} (( segid " " and resid 82 and name HA )) (( segid " " and resid 83 and name HN )) 3.200 1.300 1.300 peak 2744 spectrum 1 weight 0.10000E+01 volume 0.15578E-02 ppm1 4.212 ppm2 7.956 CV 1 ASSI { 2746} (( segid " " and resid 84 and name HA )) (( segid " " and resid 85 and name HN )) 3.200 1.300 1.300 peak 2746 spectrum 1 weight 0.10000E+01 volume 0.17935E-02 ppm1 4.387 ppm2 7.836 CV 1 ASSI { 2747} (( segid " " and resid 84 and name HA )) (( segid " " and resid 84 and name HN )) 2.700 0.900 0.900 peak 2747 spectrum 1 weight 0.10000E+01 volume 0.37875E-02 ppm1 4.389 ppm2 7.747 CV 1 ASSI { 2751} (( segid " " and resid 62 and name HA )) (( segid " " and resid 62 and name HB1 )) 2.400 0.700 0.700 peak 2751 spectrum 1 weight 0.10000E+01 volume 0.65985E-02 ppm1 4.451 ppm2 2.824 CV 1 ASSI { 2753} (( segid " " and resid 84 and name HA )) (( segid " " and resid 84 and name HG2 )) 3.100 1.200 1.200 peak 2753 spectrum 1 weight 0.10000E+01 volume 0.16113E-02 ppm1 4.388 ppm2 2.459 CV 1 ASSI { 2754} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HG1 )) 3.000 1.100 1.100 peak 2754 spectrum 1 weight 0.10000E+01 volume 0.28705E-02 ppm1 4.473 ppm2 2.404 CV 1 OR { 2754} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HG2 )) ASSI { 2755} (( segid " " and resid 84 and name HA )) (( segid " " and resid 84 and name HB1 )) 2.600 0.800 0.800 peak 2755 spectrum 1 weight 0.10000E+01 volume 0.40944E-02 ppm1 4.388 ppm2 2.275 CV 1 ASSI { 2756} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HB1 )) 2.700 0.900 0.900 peak 2756 spectrum 1 weight 0.10000E+01 volume 0.45894E-02 ppm1 4.471 ppm2 2.230 CV 1 ASSI { 2758} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HB2 )) 2.900 1.000 1.000 peak 2758 spectrum 1 weight 0.10000E+01 volume 0.25983E-02 ppm1 4.471 ppm2 2.069 CV 1 ASSI { 2759} (( segid " " and resid 62 and name HA )) ( segid " " and resid 65 and name HB% ) 2.700 0.900 0.900 peak 2759 spectrum 1 weight 0.10000E+01 volume 0.30084E-02 ppm1 4.451 ppm2 1.390 CV 1 ASSI { 2762} (( segid " " and resid 82 and name HA )) (( segid " " and resid 82 and name HB1 )) 2.600 0.900 0.900 peak 2762 spectrum 1 weight 0.10000E+01 volume 0.29171E-02 ppm1 4.213 ppm2 2.009 CV 1 ASSI { 2763} (( segid " " and resid 82 and name HA )) (( segid " " and resid 82 and name HG )) 3.000 1.200 1.200 peak 2763 spectrum 1 weight 0.10000E+01 volume 0.22559E-02 ppm1 4.211 ppm2 1.838 CV 1 ASSI { 2765} (( segid " " and resid 82 and name HA )) ( segid " " and resid 82 and name HD1%) 2.200 0.600 0.600 peak 2765 spectrum 1 weight 0.10000E+01 volume 0.12892E-01 ppm1 4.212 ppm2 0.981 CV 1 OR { 2765} (( segid " " and resid 82 and name HA )) ( segid " " and resid 82 and name HD2%) ASSI { 2766} (( segid " " and resid 82 and name HA )) ( segid " " and resid 78 and name HG2%) 4.300 2.300 1.700 peak 2766 spectrum 1 weight 0.10000E+01 volume 0.61549E-03 ppm1 4.209 ppm2 0.873 CV 1 ASSI { 2769} (( segid " " and resid 20 and name HA )) ( segid " " and resid 21 and name HG2%) 4.400 2.400 1.600 peak 2769 spectrum 1 weight 0.10000E+01 volume 0.45365E-03 ppm1 4.472 ppm2 1.242 CV 1 ASSI { 2777} (( segid " " and resid 49 and name HA )) (( segid " " and resid 52 and name HG )) 3.400 1.400 1.400 peak 2777 spectrum 1 weight 0.10000E+01 volume 0.71805E-03 ppm1 3.948 ppm2 2.029 CV 1 ASSI { 2787} (( segid " " and resid 31 and name HA )) (( segid " " and resid 31 and name HN )) 2.600 0.900 0.900 peak 2787 spectrum 1 weight 0.10000E+01 volume 0.24957E-02 ppm1 3.305 ppm2 7.509 CV 1 ASSI { 2788} (( segid " " and resid 75 and name HA )) (( segid " " and resid 75 and name HN )) 2.500 0.800 0.800 peak 2788 spectrum 1 weight 0.10000E+01 volume 0.41749E-02 ppm1 3.887 ppm2 8.723 CV 1 ASSI { 2789} (( segid " " and resid 45 and name HA )) (( segid " " and resid 45 and name HN )) 2.500 0.800 0.800 peak 2789 spectrum 1 weight 0.10000E+01 volume 0.33447E-02 ppm1 3.889 ppm2 8.461 CV 1 ASSI { 2790} (( segid " " and resid 45 and name HA )) (( segid " " and resid 48 and name HN )) 3.400 1.400 1.400 peak 2790 spectrum 1 weight 0.10000E+01 volume 0.11466E-02 ppm1 3.889 ppm2 8.318 CV 1 ASSI { 2792} (( segid " " and resid 31 and name HA )) (( segid " " and resid 72 and name HN )) 3.100 1.200 1.200 peak 2792 spectrum 1 weight 0.10000E+01 volume 0.13426E-02 ppm1 3.305 ppm2 8.999 CV 1 ASSI { 2795} (( segid " " and resid 31 and name HA )) ( segid " " and resid 30 and name HD% ) 3.700 1.700 1.700 peak 2795 spectrum 1 weight 0.10000E+01 volume 0.93008E-03 ppm1 3.302 ppm2 7.310 CV 1 ASSI { 2796} (( segid " " and resid 45 and name HA )) ( segid " " and resid 40 and name HD% ) 2.800 1.000 1.000 peak 2796 spectrum 1 weight 0.10000E+01 volume 0.86321E-03 ppm1 3.891 ppm2 6.967 CV 1 ASSI { 2797} (( segid " " and resid 45 and name HA )) ( segid " " and resid 40 and name HE% ) 3.300 1.400 1.400 peak 2797 spectrum 1 weight 0.10000E+01 volume 0.14958E-02 ppm1 3.890 ppm2 6.751 CV 1 ASSI { 2799} (( segid " " and resid 43 and name HA )) (( segid " " and resid 43 and name HN )) 2.600 0.800 0.800 peak 2799 spectrum 1 weight 0.10000E+01 volume 0.36575E-02 ppm1 4.267 ppm2 7.786 CV 1 ASSI { 2800} (( segid " " and resid 77 and name HA )) (( segid " " and resid 78 and name HN )) 3.000 1.100 1.100 peak 2800 spectrum 1 weight 0.10000E+01 volume 0.18262E-02 ppm1 4.273 ppm2 8.264 CV 1 ASSI { 2802} (( segid " " and resid 77 and name HA )) (( segid " " and resid 77 and name HN )) 2.500 0.800 0.800 peak 2802 spectrum 1 weight 0.10000E+01 volume 0.46434E-02 ppm1 4.272 ppm2 8.003 CV 1 ASSI { 2803} (( segid " " and resid 74 and name HA )) (( segid " " and resid 74 and name HN )) 2.600 0.900 0.900 peak 2803 spectrum 1 weight 0.10000E+01 volume 0.26248E-02 ppm1 4.305 ppm2 7.710 CV 1 ASSI { 2804} (( segid " " and resid 52 and name HA )) ( segid " " and resid 56 and name HD% ) 2.500 0.800 0.800 peak 2804 spectrum 1 weight 0.10000E+01 volume 0.28978E-02 ppm1 4.308 ppm2 7.439 CV 1 ASSI { 2805} (( segid " " and resid 10 and name HA )) (( segid " " and resid 10 and name HN )) 2.700 0.900 0.900 peak 2805 spectrum 1 weight 0.10000E+01 volume 0.26532E-02 ppm1 4.209 ppm2 8.068 CV 1 ASSI { 2806} (( segid " " and resid 10 and name HA )) (( segid " " and resid 13 and name HN )) 3.200 1.200 1.200 peak 2806 spectrum 1 weight 0.10000E+01 volume 0.12737E-02 ppm1 4.207 ppm2 7.702 CV 1 ASSI { 2807} (( segid " " and resid 43 and name HA )) (( segid " " and resid 47 and name HN )) 3.100 1.200 1.200 peak 2807 spectrum 1 weight 0.10000E+01 volume 0.14195E-02 ppm1 4.261 ppm2 8.496 CV 1 ASSI { 2808} (( segid " " and resid 14 and name HA )) (( segid " " and resid 14 and name HN )) 2.700 0.900 0.900 peak 2808 spectrum 1 weight 0.10000E+01 volume 0.24427E-02 ppm1 4.395 ppm2 8.399 CV 1 ASSI { 2811} (( segid " " and resid 40 and name HA )) ( segid " " and resid 40 and name HD% ) 2.700 0.900 0.900 peak 2811 spectrum 1 weight 0.10000E+01 volume 0.22895E-02 ppm1 4.582 ppm2 6.969 CV 1 ASSI { 2812} (( segid " " and resid 9 and name HA )) (( segid " " and resid 9 and name HN )) 2.900 1.000 1.000 peak 2812 spectrum 1 weight 0.10000E+01 volume 0.24566E-02 ppm1 4.549 ppm2 7.886 CV 1 ASSI { 2820} (( segid " " and resid 10 and name HA )) (( segid " " and resid 11 and name HN )) 3.400 1.400 1.400 peak 2820 spectrum 1 weight 0.10000E+01 volume 0.10090E-02 ppm1 4.212 ppm2 8.835 CV 1 ASSI { 2822} (( segid " " and resid 46 and name HA )) (( segid " " and resid 49 and name HN )) 3.100 1.200 1.200 peak 2822 spectrum 1 weight 0.10000E+01 volume 0.12269E-02 ppm1 4.256 ppm2 8.758 CV 1 ASSI { 2823} (( segid " " and resid 52 and name HA )) (( segid " " and resid 53 and name HN )) 3.500 1.500 1.500 peak 2823 spectrum 1 weight 0.10000E+01 volume 0.61797E-03 ppm1 4.312 ppm2 8.961 CV 1 ASSI { 2824} (( segid " " and resid 74 and name HA )) (( segid " " and resid 75 and name HN )) 3.600 1.600 1.600 peak 2824 spectrum 1 weight 0.10000E+01 volume 0.64142E-03 ppm1 4.303 ppm2 8.733 CV 1 ASSI { 2825} (( segid " " and resid 52 and name HA )) (( segid " " and resid 52 and name HN )) 2.500 0.800 0.800 peak 2825 spectrum 1 weight 0.10000E+01 volume 0.28933E-02 ppm1 4.304 ppm2 8.413 CV 1 ASSI { 2829} (( segid " " and resid 40 and name HA )) (( segid " " and resid 41 and name HN )) 2.100 0.500 0.500 peak 2829 spectrum 1 weight 0.10000E+01 volume 0.99055E-02 ppm1 4.582 ppm2 7.974 CV 1 ASSI { 2831} (( segid " " and resid 40 and name HA )) (( segid " " and resid 40 and name HN )) 2.800 1.000 1.000 peak 2831 spectrum 1 weight 0.10000E+01 volume 0.19475E-02 ppm1 4.580 ppm2 8.070 CV 1 ASSI { 2833} (( segid " " and resid 8 and name HA )) (( segid " " and resid 8 and name HN )) 2.900 1.100 1.100 peak 2833 spectrum 1 weight 0.10000E+01 volume 0.19558E-02 ppm1 4.620 ppm2 8.234 CV 1 ASSI { 2835} (( segid " " and resid 14 and name HA )) ( segid " " and resid 40 and name HE% ) 3.500 1.500 1.500 peak 2835 spectrum 1 weight 0.10000E+01 volume 0.59670E-03 ppm1 4.394 ppm2 6.744 CV 1 ASSI { 2839} (( segid " " and resid 30 and name HA )) (( segid " " and resid 30 and name HB2 )) 2.600 0.800 0.800 peak 2839 spectrum 1 weight 0.10000E+01 volume 0.34298E-02 ppm1 4.739 ppm2 3.012 CV 1 ASSI { 2840} (( segid " " and resid 30 and name HA )) (( segid " " and resid 30 and name HB1 )) 2.400 0.700 0.700 peak 2840 spectrum 1 weight 0.10000E+01 volume 0.58580E-02 ppm1 4.737 ppm2 3.294 CV 1 ASSI { 2841} (( segid " " and resid 70 and name HA )) (( segid " " and resid 71 and name HD1 )) 2.200 0.600 0.600 peak 2841 spectrum 1 weight 0.10000E+01 volume 0.30982E-02 ppm1 4.961 ppm2 4.033 CV 1 ASSI { 2843} (( segid " " and resid 40 and name HA )) (( segid " " and resid 40 and name HB1 )) 2.400 0.700 0.700 peak 2843 spectrum 1 weight 0.10000E+01 volume 0.32600E-02 ppm1 4.580 ppm2 3.013 CV 1 ASSI { 2844} (( segid " " and resid 9 and name HA )) (( segid " " and resid 9 and name HB1 )) 2.800 0.900 0.900 peak 2844 spectrum 1 weight 0.10000E+01 volume 0.21183E-02 ppm1 4.547 ppm2 3.038 CV 1 ASSI { 2847} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HG1 )) 3.300 1.300 1.300 peak 2847 spectrum 1 weight 0.10000E+01 volume 0.19270E-02 ppm1 4.260 ppm2 2.835 CV 1 ASSI { 2849} (( segid " " and resid 75 and name HA )) (( segid " " and resid 75 and name HB1 )) 3.000 1.100 1.100 peak 2849 spectrum 1 weight 0.10000E+01 volume 0.28651E-02 ppm1 3.886 ppm2 2.188 CV 1 ASSI { 2851} (( segid " " and resid 31 and name HA )) (( segid " " and resid 71 and name HB1 )) 3.600 1.600 1.600 peak 2851 spectrum 1 weight 0.10000E+01 volume 0.32320E-02 ppm1 3.304 ppm2 2.238 CV 1 ASSI { 2852} (( segid " " and resid 31 and name HA )) (( segid " " and resid 71 and name HB2 )) 2.200 0.600 0.600 peak 2852 spectrum 1 weight 0.10000E+01 volume 0.54108E-02 ppm1 3.305 ppm2 2.010 CV 1 ASSI { 2853} (( segid " " and resid 31 and name HA )) (( segid " " and resid 72 and name HB1 )) 4.300 2.300 1.700 peak 2853 spectrum 1 weight 0.10000E+01 volume 0.76246E-03 ppm1 3.306 ppm2 1.865 CV 1 ASSI { 2860} (( segid " " and resid 30 and name HA )) (( segid " " and resid 33 and name HG )) 2.400 0.700 0.700 peak 2860 spectrum 1 weight 0.10000E+01 volume 0.38636E-02 ppm1 4.735 ppm2 1.775 CV 1 OR { 2860} (( segid " " and resid 30 and name HA )) (( segid " " and resid 33 and name HB1 )) ASSI { 2861} (( segid " " and resid 8 and name HA )) (( segid " " and resid 11 and name HB2 )) 2.500 0.800 0.800 peak 2861 spectrum 1 weight 0.10000E+01 volume 0.41761E-02 ppm1 4.618 ppm2 2.047 CV 1 OR { 2861} (( segid " " and resid 8 and name HA )) (( segid " " and resid 11 and name HB1 )) ASSI { 2866} (( segid " " and resid 14 and name HA )) (( segid " " and resid 14 and name HB1 )) 2.500 0.800 0.800 peak 2866 spectrum 1 weight 0.10000E+01 volume 0.30194E-02 ppm1 4.395 ppm2 1.981 CV 1 ASSI { 2867} (( segid " " and resid 14 and name HA )) (( segid " " and resid 14 and name HG )) 2.800 1.000 1.000 peak 2867 spectrum 1 weight 0.10000E+01 volume 0.20588E-02 ppm1 4.396 ppm2 1.882 CV 1 ASSI { 2869} (( segid " " and resid 14 and name HA )) (( segid " " and resid 14 and name HB2 )) 2.900 1.000 1.000 peak 2869 spectrum 1 weight 0.10000E+01 volume 0.30487E-02 ppm1 4.395 ppm2 1.441 CV 1 ASSI { 2870} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HB1 )) 2.300 0.700 0.700 peak 2870 spectrum 1 weight 0.10000E+01 volume 0.84173E-02 ppm1 4.260 ppm2 2.319 CV 1 OR { 2870} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HB2 )) ASSI { 2879} (( segid " " and resid 77 and name HA )) (( segid " " and resid 77 and name HB1 )) 2.300 0.700 0.700 peak 2879 spectrum 1 weight 0.10000E+01 volume 0.47696E-02 ppm1 4.277 ppm2 2.032 CV 1 ASSI { 2883} (( segid " " and resid 52 and name HA )) (( segid " " and resid 52 and name HB2 )) 2.700 0.900 0.900 peak 2883 spectrum 1 weight 0.10000E+01 volume 0.38915E-02 ppm1 4.306 ppm2 1.441 CV 1 ASSI { 2884} (( segid " " and resid 10 and name HA )) (( segid " " and resid 10 and name HG )) 3.100 1.200 1.200 peak 2884 spectrum 1 weight 0.10000E+01 volume 0.18244E-02 ppm1 4.208 ppm2 1.885 CV 1 ASSI { 2887} (( segid " " and resid 45 and name HA )) (( segid " " and resid 45 and name HB1 )) 2.500 0.800 0.800 peak 2887 spectrum 1 weight 0.10000E+01 volume 0.40550E-02 ppm1 3.888 ppm2 1.633 CV 1 ASSI { 2891} (( segid " " and resid 31 and name HA )) (( segid " " and resid 31 and name HG )) 2.800 1.000 1.000 peak 2891 spectrum 1 weight 0.10000E+01 volume 0.20055E-02 ppm1 3.305 ppm2 1.193 CV 1 ASSI { 2892} (( segid " " and resid 31 and name HA )) (( segid " " and resid 31 and name HB2 )) 2.900 1.000 1.000 peak 2892 spectrum 1 weight 0.10000E+01 volume 0.28491E-02 ppm1 3.306 ppm2 1.030 CV 1 ASSI { 2899} (( segid " " and resid 40 and name HA )) (( segid " " and resid 40 and name HB2 )) 2.600 0.800 0.800 peak 2899 spectrum 1 weight 0.10000E+01 volume 0.40518E-02 ppm1 4.582 ppm2 2.785 CV 1 ASSI { 2904} (( segid " " and resid 77 and name HA )) ( segid " " and resid 77 and name HD1%) 2.200 0.600 0.600 peak 2904 spectrum 1 weight 0.10000E+01 volume 0.10350E-01 ppm1 4.272 ppm2 0.964 CV 1 OR { 2904} (( segid " " and resid 77 and name HA )) ( segid " " and resid 77 and name HD2%) ASSI { 2907} (( segid " " and resid 30 and name HA )) ( segid " " and resid 33 and name HD2%) 3.100 1.200 1.200 peak 2907 spectrum 1 weight 0.10000E+01 volume 0.61400E-02 ppm1 4.738 ppm2 1.062 CV 1 ASSI { 2912} (( segid " " and resid 14 and name HA )) ( segid " " and resid 14 and name HD2%) 3.600 1.600 1.600 peak 2912 spectrum 1 weight 0.10000E+01 volume 0.12907E-02 ppm1 4.394 ppm2 0.884 CV 1 ASSI { 2913} (( segid " " and resid 14 and name HA )) ( segid " " and resid 14 and name HD1%) 2.500 0.800 0.800 peak 2913 spectrum 1 weight 0.10000E+01 volume 0.78575E-02 ppm1 4.395 ppm2 0.758 CV 1 ASSI { 2918} (( segid " " and resid 10 and name HA )) ( segid " " and resid 5 and name HD1%) 3.500 1.600 1.600 peak 2918 spectrum 1 weight 0.10000E+01 volume 0.12279E-02 ppm1 4.208 ppm2 0.626 CV 1 OR { 2918} (( segid " " and resid 10 and name HA )) ( segid " " and resid 5 and name HD2%) ASSI { 2919} (( segid " " and resid 75 and name HA )) ( segid " " and resid 5 and name HD1%) 3.400 1.400 1.400 peak 2919 spectrum 1 weight 0.10000E+01 volume 0.20921E-02 ppm1 3.886 ppm2 0.607 CV 1 ASSI { 2921} (( segid " " and resid 45 and name HA )) ( segid " " and resid 45 and name HD1%) 3.500 1.500 1.500 peak 2921 spectrum 1 weight 0.10000E+01 volume 0.31073E-02 ppm1 3.889 ppm2 0.231 CV 1 ASSI { 2923} (( segid " " and resid 31 and name HA )) ( segid " " and resid 31 and name HD2%) 3.500 1.600 1.600 peak 2923 spectrum 1 weight 0.10000E+01 volume 0.14960E-02 ppm1 3.305 ppm2 0.777 CV 1 ASSI { 2924} (( segid " " and resid 31 and name HA )) ( segid " " and resid 31 and name HD1%) 2.500 0.800 0.800 peak 2924 spectrum 1 weight 0.10000E+01 volume 0.71366E-02 ppm1 3.304 ppm2 0.456 CV 1 ASSI { 2928} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HN )) 2.600 0.800 0.800 peak 2928 spectrum 1 weight 0.10000E+01 volume 0.42545E-02 ppm1 4.361 ppm2 9.558 CV 1 ASSI { 2929} (( segid " " and resid 27 and name HA )) (( segid " " and resid 27 and name HN )) 2.800 0.900 0.900 peak 2929 spectrum 1 weight 0.10000E+01 volume 0.30868E-02 ppm1 4.300 ppm2 8.230 CV 1 ASSI { 2933} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HN )) 2.500 0.800 0.800 peak 2933 spectrum 1 weight 0.10000E+01 volume 0.38682E-02 ppm1 4.030 ppm2 7.974 CV 1 ASSI { 2935} (( segid " " and resid 58 and name HA )) (( segid " " and resid 59 and name HN )) 2.200 0.600 0.600 peak 2935 spectrum 1 weight 0.10000E+01 volume 0.11902E-01 ppm1 4.681 ppm2 8.484 CV 1 ASSI { 2937} (( segid " " and resid 6 and name HA )) (( segid " " and resid 7 and name HN )) 2.600 0.900 0.900 peak 2937 spectrum 1 weight 0.10000E+01 volume 0.36244E-02 ppm1 4.766 ppm2 8.845 CV 1 ASSI { 2939} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HN )) 2.700 0.900 0.900 peak 2939 spectrum 1 weight 0.10000E+01 volume 0.34410E-02 ppm1 4.226 ppm2 8.506 CV 1 ASSI { 2940} (( segid " " and resid 51 and name HA )) (( segid " " and resid 52 and name HN )) 3.300 1.400 1.400 peak 2940 spectrum 1 weight 0.10000E+01 volume 0.13394E-02 ppm1 4.238 ppm2 8.409 CV 1 ASSI { 2941} (( segid " " and resid 42 and name HA )) (( segid " " and resid 45 and name HN )) 3.200 1.300 1.300 peak 2941 spectrum 1 weight 0.10000E+01 volume 0.15472E-02 ppm1 4.260 ppm2 8.459 CV 1 ASSI { 2954} (( segid " " and resid 12 and name HA )) (( segid " " and resid 15 and name HN )) 3.300 1.400 1.400 peak 2954 spectrum 1 weight 0.10000E+01 volume 0.13271E-02 ppm1 4.028 ppm2 8.450 CV 1 ASSI { 2957} (( segid " " and resid 12 and name HA )) (( segid " " and resid 13 and name HN )) 3.300 1.400 1.400 peak 2957 spectrum 1 weight 0.10000E+01 volume 0.11548E-02 ppm1 4.028 ppm2 7.707 CV 1 ASSI { 2962} (( segid " " and resid 36 and name HA )) (( segid " " and resid 37 and name HN )) 3.300 1.400 1.400 peak 2962 spectrum 1 weight 0.10000E+01 volume 0.11481E-02 ppm1 4.361 ppm2 7.555 CV 1 ASSI { 2963} (( segid " " and resid 56 and name HA )) ( segid " " and resid 56 and name HD% ) 2.600 0.900 0.900 peak 2963 spectrum 1 weight 0.10000E+01 volume 0.41502E-02 ppm1 4.675 ppm2 7.436 CV 1 ASSI { 2966} (( segid " " and resid 17 and name HA )) (( segid " " and resid 17 and name HB1 )) 2.800 0.900 0.900 peak 2966 spectrum 1 weight 0.10000E+01 volume 0.35581E-02 ppm1 4.564 ppm2 4.141 CV 1 ASSI { 2967} (( segid " " and resid 17 and name HA )) (( segid " " and resid 17 and name HB2 )) 2.500 0.800 0.800 peak 2967 spectrum 1 weight 0.10000E+01 volume 0.53416E-02 ppm1 4.563 ppm2 4.050 CV 1 ASSI { 2971} (( segid " " and resid 51 and name HA )) (( segid " " and resid 51 and name HD1 )) 4.300 2.300 1.700 peak 2971 spectrum 1 weight 0.10000E+01 volume 0.93519E-03 ppm1 4.233 ppm2 3.441 CV 1 ASSI { 2974} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HD1 )) 5.100 3.200 0.900 peak 2974 spectrum 1 weight 0.10000E+01 volume 0.37703E-03 ppm1 4.024 ppm2 3.360 CV 1 ASSI { 2975} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HD1 )) 3.900 1.900 1.900 peak 2975 spectrum 1 weight 0.10000E+01 volume 0.75089E-03 ppm1 4.090 ppm2 3.090 CV 1 ASSI { 2976} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HD2 )) 3.900 1.900 1.900 peak 2976 spectrum 1 weight 0.10000E+01 volume 0.10090E-02 ppm1 4.090 ppm2 3.016 CV 1 ASSI { 2977} (( segid " " and resid 27 and name HA )) (( segid " " and resid 11 and name HD1 )) 3.100 1.200 1.200 peak 2977 spectrum 1 weight 0.10000E+01 volume 0.15942E-02 ppm1 4.297 ppm2 3.195 CV 1 OR { 2977} (( segid " " and resid 27 and name HA )) (( segid " " and resid 11 and name HD2 )) ASSI { 2981} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HB1 )) 2.400 0.700 0.700 peak 2981 spectrum 1 weight 0.10000E+01 volume 0.55626E-02 ppm1 4.360 ppm2 2.254 CV 1 ASSI { 2982} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HB2 )) 2.700 0.900 0.900 peak 2982 spectrum 1 weight 0.10000E+01 volume 0.53297E-02 ppm1 4.361 ppm2 2.133 CV 1 ASSI { 2983} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HG1 )) 2.800 1.000 1.000 peak 2983 spectrum 1 weight 0.10000E+01 volume 0.22475E-02 ppm1 4.228 ppm2 2.604 CV 1 ASSI { 2986} (( segid " " and resid 51 and name HA )) (( segid " " and resid 51 and name HB2 )) 2.400 0.700 0.700 peak 2986 spectrum 1 weight 0.10000E+01 volume 0.50654E-02 ppm1 4.235 ppm2 2.015 CV 1 ASSI { 2987} (( segid " " and resid 73 and name HA )) (( segid " " and resid 73 and name HB1 )) 2.400 0.700 0.700 peak 2987 spectrum 1 weight 0.10000E+01 volume 0.71635E-02 ppm1 4.236 ppm2 2.484 CV 1 OR { 2987} (( segid " " and resid 73 and name HA )) (( segid " " and resid 73 and name HG2 )) ASSI { 2994} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HG1 )) 3.100 1.200 1.200 peak 2994 spectrum 1 weight 0.10000E+01 volume 0.21352E-02 ppm1 4.028 ppm2 1.918 CV 1 ASSI { 2995} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HB1 )) 2.700 0.900 0.900 peak 2995 spectrum 1 weight 0.10000E+01 volume 0.60258E-02 ppm1 4.089 ppm2 1.896 CV 1 ASSI { 2996} (( segid " " and resid 58 and name HA )) (( segid " " and resid 58 and name HB )) 2.300 0.600 0.600 peak 2996 spectrum 1 weight 0.10000E+01 volume 0.68794E-02 ppm1 4.681 ppm2 2.133 CV 1 ASSI { 2997} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HB2 )) 2.500 0.800 0.800 peak 2997 spectrum 1 weight 0.10000E+01 volume 0.40578E-02 ppm1 4.089 ppm2 1.614 CV 1 ASSI { 2998} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HG1 )) 2.700 0.900 0.900 peak 2998 spectrum 1 weight 0.10000E+01 volume 0.34919E-02 ppm1 4.090 ppm2 1.361 CV 1 ASSI { 2999} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HG2 )) 2.600 0.800 0.800 peak 2999 spectrum 1 weight 0.10000E+01 volume 0.34674E-02 ppm1 4.029 ppm2 1.688 CV 1 ASSI { 3001} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HG2 )) 3.400 1.400 1.400 peak 3001 spectrum 1 weight 0.10000E+01 volume 0.20331E-02 ppm1 4.089 ppm2 0.986 CV 1 ASSI { 3004} (( segid " " and resid 51 and name HA )) (( segid " " and resid 51 and name HG2 )) 3.000 1.100 1.100 peak 3004 spectrum 1 weight 0.10000E+01 volume 0.28197E-02 ppm1 4.236 ppm2 1.737 CV 1 ASSI { 3012} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HN )) 2.600 0.900 0.900 peak 3012 spectrum 1 weight 0.10000E+01 volume 0.31780E-02 ppm1 3.521 ppm2 8.834 CV 1 ASSI { 3013} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HN )) 2.800 1.000 1.000 peak 3013 spectrum 1 weight 0.10000E+01 volume 0.24101E-02 ppm1 3.607 ppm2 8.998 CV 1 ASSI { 3015} (( segid " " and resid 53 and name HA )) (( segid " " and resid 53 and name HN )) 2.500 0.800 0.800 peak 3015 spectrum 1 weight 0.10000E+01 volume 0.31792E-02 ppm1 4.088 ppm2 8.962 CV 1 ASSI { 3016} (( segid " " and resid 42 and name HA )) (( segid " " and resid 42 and name HN )) 2.500 0.800 0.800 peak 3016 spectrum 1 weight 0.10000E+01 volume 0.38845E-02 ppm1 4.259 ppm2 8.922 CV 1 ASSI { 3017} (( segid " " and resid 54 and name HA )) (( segid " " and resid 54 and name HN )) 2.700 0.900 0.900 peak 3017 spectrum 1 weight 0.10000E+01 volume 0.41858E-02 ppm1 4.381 ppm2 8.039 CV 1 ASSI { 3018} (( segid " " and resid 11 and name HA )) (( segid " " and resid 12 and name HN )) 3.600 1.600 1.600 peak 3018 spectrum 1 weight 0.10000E+01 volume 0.89760E-03 ppm1 3.520 ppm2 7.976 CV 1 ASSI { 3021} (( segid " " and resid 11 and name HA )) ( segid " " and resid 30 and name HE% ) 3.700 1.700 1.700 peak 3021 spectrum 1 weight 0.10000E+01 volume 0.94557E-03 ppm1 3.517 ppm2 7.210 CV 1 ASSI { 3022} (( segid " " and resid 72 and name HA )) (( segid " " and resid 73 and name HN )) 3.600 1.700 1.700 peak 3022 spectrum 1 weight 0.10000E+01 volume 0.69641E-03 ppm1 3.605 ppm2 7.835 CV 1 ASSI { 3023} (( segid " " and resid 53 and name HA )) (( segid " " and resid 52 and name HN )) 4.800 2.900 1.200 peak 3023 spectrum 1 weight 0.10000E+01 volume 0.28793E-03 ppm1 4.085 ppm2 8.419 CV 1 ASSI { 3024} (( segid " " and resid 53 and name HA )) (( segid " " and resid 56 and name HN )) 3.900 1.900 1.900 peak 3024 spectrum 1 weight 0.10000E+01 volume 0.53540E-03 ppm1 4.087 ppm2 8.123 CV 1 ASSI { 3025} (( segid " " and resid 53 and name HA )) (( segid " " and resid 54 and name HN )) 3.300 1.400 1.400 peak 3025 spectrum 1 weight 0.10000E+01 volume 0.98053E-03 ppm1 4.086 ppm2 8.030 CV 1 ASSI { 3026} (( segid " " and resid 53 and name HA )) (( segid " " and resid 58 and name HN )) 2.300 0.600 0.600 peak 3026 spectrum 1 weight 0.10000E+01 volume 0.28878E-02 ppm1 4.088 ppm2 7.528 CV 1 ASSI { 3027} (( segid " " and resid 42 and name HA )) (( segid " " and resid 46 and name HN )) 3.500 1.500 1.500 peak 3027 spectrum 1 weight 0.10000E+01 volume 0.70948E-03 ppm1 4.259 ppm2 8.225 CV 1 ASSI { 3028} (( segid " " and resid 42 and name HA )) (( segid " " and resid 43 and name HN )) 3.200 1.300 1.300 peak 3028 spectrum 1 weight 0.10000E+01 volume 0.13816E-02 ppm1 4.258 ppm2 7.784 CV 1 ASSI { 3031} (( segid " " and resid 53 and name HA )) (( segid " " and resid 53 and name HB1 )) 2.300 0.600 0.600 peak 3031 spectrum 1 weight 0.10000E+01 volume 0.43390E-02 ppm1 4.088 ppm2 2.504 CV 1 ASSI { 3032} (( segid " " and resid 53 and name HA )) (( segid " " and resid 53 and name HG2 )) 2.300 0.700 0.700 peak 3032 spectrum 1 weight 0.10000E+01 volume 0.58709E-02 ppm1 4.088 ppm2 2.330 CV 1 OR { 3032} (( segid " " and resid 53 and name HA )) (( segid " " and resid 53 and name HB2 )) ASSI { 3033} (( segid " " and resid 42 and name HA )) (( segid " " and resid 41 and name HB1 )) 4.600 2.600 1.400 peak 3033 spectrum 1 weight 0.10000E+01 volume 0.37073E-03 ppm1 4.257 ppm2 3.295 CV 1 ASSI { 3035} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HD2 )) 4.700 2.700 1.300 peak 3035 spectrum 1 weight 0.10000E+01 volume 0.60770E-03 ppm1 3.608 ppm2 3.016 CV 1 ASSI { 3039} (( segid " " and resid 42 and name HA )) (( segid " " and resid 45 and name HB1 )) 2.600 0.800 0.800 peak 3039 spectrum 1 weight 0.10000E+01 volume 0.22138E-02 ppm1 4.262 ppm2 1.622 CV 1 ASSI { 3040} (( segid " " and resid 42 and name HA )) (( segid " " and resid 45 and name HB2 )) 3.000 1.100 1.100 peak 3040 spectrum 1 weight 0.10000E+01 volume 0.30107E-02 ppm1 4.256 ppm2 1.503 CV 1 ASSI { 3046} (( segid " " and resid 72 and name HA )) (( segid " " and resid 75 and name HB1 )) 2.500 0.800 0.800 peak 3046 spectrum 1 weight 0.10000E+01 volume 0.30009E-02 ppm1 3.606 ppm2 2.190 CV 1 ASSI { 3048} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HB1 )) 3.000 1.100 1.100 peak 3048 spectrum 1 weight 0.10000E+01 volume 0.25218E-02 ppm1 3.605 ppm2 1.861 CV 1 ASSI { 3051} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HB1 )) 2.300 0.700 0.700 peak 3051 spectrum 1 weight 0.10000E+01 volume 0.64679E-02 ppm1 3.519 ppm2 2.035 CV 1 OR { 3051} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HB2 )) ASSI { 3056} (( segid " " and resid 11 and name HA )) ( segid " " and resid 26 and name HD2%) 3.600 1.600 1.600 peak 3056 spectrum 1 weight 0.10000E+01 volume 0.97847E-03 ppm1 3.521 ppm2 0.794 CV 1 ASSI { 3057} (( segid " " and resid 72 and name HA )) (( segid " " and resid 31 and name HG )) 3.600 1.600 1.600 peak 3057 spectrum 1 weight 0.10000E+01 volume 0.56618E-03 ppm1 3.607 ppm2 1.198 CV 1 ASSI { 3059} (( segid " " and resid 72 and name HA )) (( segid " " and resid 31 and name HB2 )) 4.400 2.400 1.600 peak 3059 spectrum 1 weight 0.10000E+01 volume 0.11481E-02 ppm1 3.605 ppm2 1.031 CV 1 ASSI { 3061} (( segid " " and resid 72 and name HA )) ( segid " " and resid 31 and name HD2%) 3.100 1.200 1.200 peak 3061 spectrum 1 weight 0.10000E+01 volume 0.15485E-02 ppm1 3.604 ppm2 0.783 CV 1 ASSI { 3063} (( segid " " and resid 53 and name HA )) ( segid " " and resid 78 and name HD1%) 4.900 3.000 1.100 peak 3063 spectrum 1 weight 0.10000E+01 volume 0.94888E-03 ppm1 4.089 ppm2 0.809 CV 1 ASSI { 3064} (( segid " " and resid 42 and name HA )) ( segid " " and resid 45 and name HD2%) 3.800 1.800 1.800 peak 3064 spectrum 1 weight 0.10000E+01 volume 0.15339E-02 ppm1 4.260 ppm2 0.353 CV 1 ASSI { 3065} (( segid " " and resid 42 and name HA )) ( segid " " and resid 45 and name HD1%) 3.600 1.600 1.600 peak 3065 spectrum 1 weight 0.10000E+01 volume 0.10786E-02 ppm1 4.259 ppm2 0.229 CV 1 ASSI { 3070} (( segid " " and resid 11 and name HA )) (( segid " " and resid 13 and name HN )) 4.300 2.300 1.700 peak 3070 spectrum 1 weight 0.10000E+01 volume 0.26260E-03 ppm1 3.522 ppm2 7.712 CV 1 ASSI { 3071} (( segid " " and resid 72 and name HA )) (( segid " " and resid 74 and name HN )) 4.000 2.000 2.000 peak 3071 spectrum 1 weight 0.10000E+01 volume 0.40653E-03 ppm1 3.610 ppm2 7.709 CV 1 ASSI { 3088} (( segid " " and resid 21 and name HA )) (( segid " " and resid 21 and name HN )) 2.900 1.000 1.000 peak 3088 spectrum 1 weight 0.10000E+01 volume 0.26745E-02 ppm1 4.511 ppm2 8.243 CV 1 ASSI { 3091} (( segid " " and resid 68 and name HA )) (( segid " " and resid 68 and name HN )) 2.600 0.900 0.900 peak 3091 spectrum 1 weight 0.10000E+01 volume 0.25752E-02 ppm1 4.438 ppm2 7.326 CV 1 ASSI { 3093} (( segid " " and resid 3 and name HA )) (( segid " " and resid 4 and name HN )) 2.000 0.500 0.500 peak 3093 spectrum 1 weight 0.10000E+01 volume 0.14584E-01 ppm1 4.386 ppm2 8.145 CV 1 ASSI { 3095} (( segid " " and resid 21 and name HA )) (( segid " " and resid 22 and name HN )) 2.300 0.700 0.700 peak 3095 spectrum 1 weight 0.10000E+01 volume 0.93664E-02 ppm1 4.511 ppm2 8.489 CV 1 ASSI { 3096} (( segid " " and resid 68 and name HA )) (( segid " " and resid 69 and name HN )) 2.100 0.500 0.500 peak 3096 spectrum 1 weight 0.10000E+01 volume 0.10764E-01 ppm1 4.438 ppm2 9.097 CV 1 ASSI { 3098} (( segid " " and resid 21 and name HA )) (( segid " " and resid 21 and name HB )) 2.400 0.700 0.700 peak 3098 spectrum 1 weight 0.10000E+01 volume 0.72838E-02 ppm1 4.511 ppm2 4.381 CV 1 ASSI { 3099} (( segid " " and resid 68 and name HA )) (( segid " " and resid 69 and name HB1 )) 5.000 3.100 1.000 peak 3099 spectrum 1 weight 0.10000E+01 volume 0.11729E-02 ppm1 4.438 ppm2 3.013 CV 1 ASSI { 3105} (( segid " " and resid 68 and name HA )) (( segid " " and resid 73 and name HB2 )) 3.400 1.500 1.500 peak 3105 spectrum 1 weight 0.10000E+01 volume 0.12300E-02 ppm1 4.439 ppm2 2.277 CV 1 ASSI { 3108} (( segid " " and resid 21 and name HA )) ( segid " " and resid 21 and name HG2%) 2.700 0.900 0.900 peak 3108 spectrum 1 weight 0.10000E+01 volume 0.64741E-02 ppm1 4.511 ppm2 1.241 CV 1 ASSI { 3114} (( segid " " and resid 61 and name HA )) (( segid " " and resid 62 and name HN )) 2.100 0.600 0.600 peak 3114 spectrum 1 weight 0.10000E+01 volume 0.12198E-01 ppm1 4.527 ppm2 8.823 CV 1 ASSI { 3115} (( segid " " and resid 35 and name HA )) (( segid " " and resid 35 and name HN )) 2.800 1.000 1.000 peak 3115 spectrum 1 weight 0.10000E+01 volume 0.16171E-02 ppm1 4.370 ppm2 8.457 CV 1 ASSI { 3116} (( segid " " and resid 24 and name HA )) (( segid " " and resid 25 and name HN )) 2.300 0.600 0.600 peak 3116 spectrum 1 weight 0.10000E+01 volume 0.10837E-01 ppm1 4.327 ppm2 8.604 CV 1 ASSI { 3117} (( segid " " and resid 54 and name HB1 )) (( segid " " and resid 54 and name HN )) 2.500 0.800 0.800 peak 3117 spectrum 1 weight 0.10000E+01 volume 0.57010E-02 ppm1 4.106 ppm2 8.042 CV 1 OR { 3117} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 54 and name HN )) ASSI { 3120} (( segid " " and resid 54 and name HB1 )) (( segid " " and resid 53 and name HN )) 4.900 3.000 1.100 peak 3120 spectrum 1 weight 0.10000E+01 volume 0.38585E-03 ppm1 4.111 ppm2 8.972 CV 1 OR { 3120} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 53 and name HN )) ASSI { 3123} (( segid " " and resid 24 and name HA )) (( segid " " and resid 24 and name HN )) 2.800 1.000 1.000 peak 3123 spectrum 1 weight 0.10000E+01 volume 0.28467E-02 ppm1 4.326 ppm2 8.131 CV 1 ASSI { 3124} (( segid " " and resid 35 and name HA )) ( segid " " and resid 35 and name HD% ) 2.300 0.700 0.700 peak 3124 spectrum 1 weight 0.10000E+01 volume 0.52259E-02 ppm1 4.369 ppm2 7.114 CV 1 ASSI { 3126} (( segid " " and resid 54 and name HB1 )) (( segid " " and resid 54 and name HA )) 2.200 0.600 0.600 peak 3126 spectrum 1 weight 0.10000E+01 volume 0.15506E-01 ppm1 4.102 ppm2 4.380 CV 1 OR { 3126} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 54 and name HA )) ASSI { 3127} (( segid " " and resid 35 and name HA )) (( segid " " and resid 35 and name HB1 )) 2.400 0.700 0.700 peak 3127 spectrum 1 weight 0.10000E+01 volume 0.30153E-02 ppm1 4.372 ppm2 3.581 CV 1 ASSI { 3130} (( segid " " and resid 35 and name HA )) (( segid " " and resid 35 and name HB2 )) 2.900 1.100 1.100 peak 3130 spectrum 1 weight 0.10000E+01 volume 0.24367E-02 ppm1 4.368 ppm2 3.087 CV 1 ASSI { 3131} (( segid " " and resid 24 and name HA )) (( segid " " and resid 25 and name HB1 )) 4.700 2.700 1.300 peak 3131 spectrum 1 weight 0.10000E+01 volume 0.46559E-03 ppm1 4.332 ppm2 2.881 CV 1 ASSI { 3133} (( segid " " and resid 24 and name HA )) (( segid " " and resid 25 and name HB2 )) 5.000 3.100 1.000 peak 3133 spectrum 1 weight 0.10000E+01 volume 0.34743E-03 ppm1 4.330 ppm2 2.761 CV 1 ASSI { 3136} (( segid " " and resid 61 and name HA )) (( segid " " and resid 61 and name HB2 )) 2.800 1.000 1.000 peak 3136 spectrum 1 weight 0.10000E+01 volume 0.43976E-02 ppm1 4.527 ppm2 2.079 CV 1 ASSI { 3138} (( segid " " and resid 54 and name HB1 )) (( segid " " and resid 53 and name HB2 )) 4.700 2.700 1.300 peak 3138 spectrum 1 weight 0.10000E+01 volume 0.35854E-03 ppm1 4.112 ppm2 2.363 CV 1 OR { 3138} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 53 and name HB2 )) ASSI { 3142} (( segid " " and resid 35 and name HA )) (( segid " " and resid 38 and name HG12)) 2.100 0.500 0.500 peak 3142 spectrum 1 weight 0.10000E+01 volume 0.38989E-02 ppm1 4.369 ppm2 1.538 CV 1 ASSI { 3143} (( segid " " and resid 3 and name HA )) (( segid " " and resid 4 and name HG )) 3.900 1.900 1.900 peak 3143 spectrum 1 weight 0.10000E+01 volume 0.13954E-02 ppm1 4.387 ppm2 1.708 CV 1 ASSI { 3144} (( segid " " and resid 3 and name HA )) (( segid " " and resid 4 and name HB1 )) 4.800 2.900 1.200 peak 3144 spectrum 1 weight 0.10000E+01 volume 0.12513E-02 ppm1 4.389 ppm2 1.608 CV 1 ASSI { 3145} (( segid " " and resid 35 and name HA )) (( segid " " and resid 38 and name HG11)) 3.000 1.100 1.100 peak 3145 spectrum 1 weight 0.10000E+01 volume 0.27267E-02 ppm1 4.372 ppm2 1.825 CV 1 ASSI { 3146} (( segid " " and resid 3 and name HA )) ( segid " " and resid 3 and name HG2%) 2.600 0.800 0.800 peak 3146 spectrum 1 weight 0.10000E+01 volume 0.51526E-02 ppm1 4.386 ppm2 1.378 CV 1 ASSI { 3150} (( segid " " and resid 35 and name HA )) ( segid " " and resid 38 and name HG2%) 4.200 2.200 1.800 peak 3150 spectrum 1 weight 0.10000E+01 volume 0.10893E-02 ppm1 4.372 ppm2 1.060 CV 1 ASSI { 3156} (( segid " " and resid 27 and name HB1 )) (( segid " " and resid 27 and name HN )) 2.800 1.000 1.000 peak 3156 spectrum 1 weight 0.10000E+01 volume 0.27486E-02 ppm1 4.032 ppm2 8.231 CV 1 ASSI { 3157} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 27 and name HN )) 3.000 1.100 1.100 peak 3157 spectrum 1 weight 0.10000E+01 volume 0.24997E-02 ppm1 3.972 ppm2 8.231 CV 1 ASSI { 3158} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 59 and name HN )) 2.600 0.900 0.900 peak 3158 spectrum 1 weight 0.10000E+01 volume 0.33675E-02 ppm1 3.796 ppm2 8.482 CV 1 ASSI { 3159} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 59 and name HN )) 2.800 1.000 1.000 peak 3159 spectrum 1 weight 0.10000E+01 volume 0.33618E-02 ppm1 3.750 ppm2 8.484 CV 1 ASSI { 3160} (( segid " " and resid 64 and name HA )) (( segid " " and resid 65 and name HN )) 3.300 1.300 1.300 peak 3160 spectrum 1 weight 0.10000E+01 volume 0.15799E-02 ppm1 3.828 ppm2 8.218 CV 1 ASSI { 3163} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 28 and name HN )) 3.300 1.400 1.400 peak 3163 spectrum 1 weight 0.10000E+01 volume 0.12589E-02 ppm1 3.972 ppm2 8.559 CV 1 ASSI { 3164} (( segid " " and resid 78 and name HA )) (( segid " " and resid 78 and name HN )) 2.500 0.800 0.800 peak 3164 spectrum 1 weight 0.10000E+01 volume 0.37639E-02 ppm1 3.740 ppm2 8.272 CV 1 ASSI { 3165} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 60 and name HN )) 4.300 2.300 1.700 peak 3165 spectrum 1 weight 0.10000E+01 volume 0.87787E-03 ppm1 3.799 ppm2 8.174 CV 1 ASSI { 3166} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 60 and name HN )) 4.200 2.200 1.800 peak 3166 spectrum 1 weight 0.10000E+01 volume 0.92399E-03 ppm1 3.750 ppm2 8.171 CV 1 ASSI { 3167} (( segid " " and resid 64 and name HA )) (( segid " " and resid 66 and name HN )) 4.000 2.000 2.000 peak 3167 spectrum 1 weight 0.10000E+01 volume 0.45934E-03 ppm1 3.830 ppm2 8.038 CV 1 ASSI { 3169} (( segid " " and resid 64 and name HA )) (( segid " " and resid 64 and name HN )) 2.600 0.800 0.800 peak 3169 spectrum 1 weight 0.10000E+01 volume 0.36818E-02 ppm1 3.827 ppm2 7.400 CV 1 ASSI { 3170} (( segid " " and resid 78 and name HA )) (( segid " " and resid 81 and name HN )) 3.100 1.200 1.200 peak 3170 spectrum 1 weight 0.10000E+01 volume 0.12007E-02 ppm1 3.738 ppm2 7.582 CV 1 ASSI { 3171} (( segid " " and resid 17 and name HB2 )) ( segid " " and resid 40 and name HE% ) 4.400 2.400 1.600 peak 3171 spectrum 1 weight 0.10000E+01 volume 0.36598E-03 ppm1 4.054 ppm2 6.751 CV 1 ASSI { 3174} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 59 and name HA )) 2.700 0.900 0.900 peak 3174 spectrum 1 weight 0.10000E+01 volume 0.37343E-02 ppm1 3.796 ppm2 4.835 CV 1 ASSI { 3175} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 59 and name HA )) 2.500 0.800 0.800 peak 3175 spectrum 1 weight 0.10000E+01 volume 0.38304E-02 ppm1 3.749 ppm2 4.835 CV 1 ASSI { 3179} (( segid " " and resid 27 and name HB1 )) (( segid " " and resid 27 and name HA )) 2.300 0.700 0.700 peak 3179 spectrum 1 weight 0.10000E+01 volume 0.86295E-02 ppm1 4.031 ppm2 4.301 CV 1 ASSI { 3180} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 27 and name HA )) 2.300 0.700 0.700 peak 3180 spectrum 1 weight 0.10000E+01 volume 0.91759E-02 ppm1 3.973 ppm2 4.301 CV 1 ASSI { 3183} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 47 and name HB2 )) 5.000 3.100 1.000 peak 3183 spectrum 1 weight 0.10000E+01 volume 0.46052E-03 ppm1 4.138 ppm2 2.214 CV 1 ASSI { 3185} (( segid " " and resid 64 and name HA )) (( segid " " and resid 64 and name HB )) 2.700 0.900 0.900 peak 3185 spectrum 1 weight 0.10000E+01 volume 0.35183E-02 ppm1 3.828 ppm2 2.208 CV 1 ASSI { 3187} (( segid " " and resid 64 and name HA )) (( segid " " and resid 67 and name HB2 )) 3.400 1.400 1.400 peak 3187 spectrum 1 weight 0.10000E+01 volume 0.14676E-02 ppm1 3.827 ppm2 1.856 CV 1 ASSI { 3188} (( segid " " and resid 64 and name HA )) (( segid " " and resid 67 and name HG2 )) 3.900 1.900 1.900 peak 3188 spectrum 1 weight 0.10000E+01 volume 0.17305E-02 ppm1 3.827 ppm2 1.750 CV 1 OR { 3188} (( segid " " and resid 64 and name HA )) (( segid " " and resid 67 and name HG1 )) ASSI { 3191} (( segid " " and resid 78 and name HA )) (( segid " " and resid 78 and name HG11)) 3.300 1.300 1.300 peak 3191 spectrum 1 weight 0.10000E+01 volume 0.28676E-02 ppm1 3.739 ppm2 1.728 CV 1 ASSI { 3193} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 47 and name HB1 )) 4.100 2.100 1.900 peak 3193 spectrum 1 weight 0.10000E+01 volume 0.27394E-03 ppm1 4.137 ppm2 2.348 CV 1 ASSI { 3194} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 47 and name HB1 )) 4.100 2.100 1.900 peak 3194 spectrum 1 weight 0.10000E+01 volume 0.46975E-03 ppm1 4.058 ppm2 2.341 CV 1 ASSI { 3203} (( segid " " and resid 78 and name HA )) (( segid " " and resid 78 and name HG12)) 2.800 1.000 1.000 peak 3203 spectrum 1 weight 0.10000E+01 volume 0.36356E-02 ppm1 3.739 ppm2 1.283 CV 1 ASSI { 3206} (( segid " " and resid 17 and name HB2 )) ( segid " " and resid 14 and name HD1%) 5.200 3.400 0.800 peak 3206 spectrum 1 weight 0.10000E+01 volume 0.19118E-03 ppm1 4.051 ppm2 0.755 CV 1 ASSI { 3219} (( segid " " and resid 17 and name HB1 )) ( segid " " and resid 40 and name HE% ) 4.000 2.000 2.000 peak 3219 spectrum 1 weight 0.10000E+01 volume 0.31656E-03 ppm1 4.142 ppm2 6.747 CV 1 ASSI { 3224} (( segid " " and resid 71 and name HA )) (( segid " " and resid 72 and name HN )) 3.400 1.400 1.400 peak 3224 spectrum 1 weight 0.10000E+01 volume 0.71309E-03 ppm1 4.227 ppm2 9.000 CV 1 ASSI { 3226} (( segid " " and resid 15 and name HA )) (( segid " " and resid 15 and name HN )) 2.600 0.900 0.900 peak 3226 spectrum 1 weight 0.10000E+01 volume 0.37803E-02 ppm1 3.937 ppm2 8.452 CV 1 ASSI { 3230} (( segid " " and resid 42 and name HB1 )) (( segid " " and resid 43 and name HN )) 3.700 1.700 1.700 peak 3230 spectrum 1 weight 0.10000E+01 volume 0.69507E-03 ppm1 4.186 ppm2 7.785 CV 1 ASSI { 3231} (( segid " " and resid 71 and name HA )) (( segid " " and resid 74 and name HN )) 3.100 1.200 1.200 peak 3231 spectrum 1 weight 0.10000E+01 volume 0.15354E-02 ppm1 4.225 ppm2 7.714 CV 1 ASSI { 3233} (( segid " " and resid 71 and name HA )) (( segid " " and resid 75 and name HN )) 4.100 2.100 1.900 peak 3233 spectrum 1 weight 0.10000E+01 volume 0.52497E-03 ppm1 4.226 ppm2 8.729 CV 1 ASSI { 3234} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 43 and name HN )) 3.400 1.500 1.500 peak 3234 spectrum 1 weight 0.10000E+01 volume 0.68490E-03 ppm1 4.342 ppm2 7.780 CV 1 ASSI { 3238} (( segid " " and resid 71 and name HA )) (( segid " " and resid 35 and name HZ )) 2.000 0.500 0.500 peak 3238 spectrum 1 weight 0.10000E+01 volume 0.61400E-02 ppm1 4.226 ppm2 6.886 CV 1 ASSI { 3244} (( segid " " and resid 71 and name HA )) (( segid " " and resid 31 and name HA )) 4.600 2.600 1.400 peak 3244 spectrum 1 weight 0.10000E+01 volume 0.62510E-03 ppm1 4.221 ppm2 3.307 CV 1 ASSI { 3245} (( segid " " and resid 71 and name HA )) (( segid " " and resid 71 and name HD2 )) 3.600 1.600 1.600 peak 3245 spectrum 1 weight 0.10000E+01 volume 0.86564E-03 ppm1 4.224 ppm2 2.807 CV 1 ASSI { 3247} (( segid " " and resid 71 and name HA )) (( segid " " and resid 71 and name HB1 )) 2.100 0.600 0.600 peak 3247 spectrum 1 weight 0.10000E+01 volume 0.51142E-02 ppm1 4.226 ppm2 2.248 CV 1 ASSI { 3248} (( segid " " and resid 71 and name HA )) (( segid " " and resid 71 and name HB2 )) 2.900 1.100 1.100 peak 3248 spectrum 1 weight 0.10000E+01 volume 0.25474E-02 ppm1 4.225 ppm2 2.008 CV 1 ASSI { 3255} (( segid " " and resid 71 and name HA )) (( segid " " and resid 74 and name HB2 )) 2.900 1.000 1.000 peak 3255 spectrum 1 weight 0.10000E+01 volume 0.23052E-02 ppm1 4.226 ppm2 1.693 CV 1 ASSI { 3257} (( segid " " and resid 71 and name HA )) (( segid " " and resid 71 and name HG2 )) 3.500 1.600 1.600 peak 3257 spectrum 1 weight 0.10000E+01 volume 0.19640E-02 ppm1 4.225 ppm2 1.316 CV 1 ASSI { 3265} (( segid " " and resid 71 and name HA )) ( segid " " and resid 31 and name HD1%) 4.600 2.600 1.400 peak 3265 spectrum 1 weight 0.10000E+01 volume 0.52218E-03 ppm1 4.227 ppm2 0.455 CV 1 ASSI { 3266} (( segid " " and resid 15 and name HA )) ( segid " " and resid 26 and name HD2%) 3.500 1.500 1.500 peak 3266 spectrum 1 weight 0.10000E+01 volume 0.88495E-03 ppm1 3.938 ppm2 0.794 CV 1 ASSI { 3268} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 41 and name HB1 )) 4.600 2.700 1.400 peak 3268 spectrum 1 weight 0.10000E+01 volume 0.38237E-03 ppm1 4.345 ppm2 3.290 CV 1 ASSI { 3270} (( segid " " and resid 42 and name HB2 )) ( segid " " and resid 65 and name HB% ) 4.900 3.100 1.100 peak 3270 spectrum 1 weight 0.10000E+01 volume 0.31031E-03 ppm1 4.347 ppm2 1.383 CV 1 ASSI { 3276} (( segid " " and resid 7 and name HA )) (( segid " " and resid 8 and name HN )) 3.600 1.600 1.600 peak 3276 spectrum 1 weight 0.10000E+01 volume 0.71635E-03 ppm1 3.864 ppm2 8.248 CV 1 ASSI { 3277} (( segid " " and resid 7 and name HA )) (( segid " " and resid 10 and name HN )) 3.400 1.500 1.500 peak 3277 spectrum 1 weight 0.10000E+01 volume 0.93907E-03 ppm1 3.863 ppm2 8.070 CV 1 ASSI { 3279} (( segid " " and resid 7 and name HA )) (( segid " " and resid 30 and name HZ )) 3.800 1.800 1.800 peak 3279 spectrum 1 weight 0.10000E+01 volume 0.72559E-03 ppm1 3.863 ppm2 7.331 CV 1 ASSI { 3280} (( segid " " and resid 7 and name HA )) ( segid " " and resid 30 and name HE% ) 4.700 2.800 1.300 peak 3280 spectrum 1 weight 0.10000E+01 volume 0.36804E-03 ppm1 3.863 ppm2 7.210 CV 1 ASSI { 3286} (( segid " " and resid 7 and name HA )) (( segid " " and resid 10 and name HB1 )) 2.600 0.900 0.900 peak 3286 spectrum 1 weight 0.10000E+01 volume 0.24580E-02 ppm1 3.864 ppm2 2.332 CV 1 ASSI { 3288} (( segid " " and resid 7 and name HA )) (( segid " " and resid 10 and name HG )) 5.000 3.100 1.000 peak 3288 spectrum 1 weight 0.10000E+01 volume 0.26903E-03 ppm1 3.858 ppm2 1.895 CV 1 ASSI { 3292} (( segid " " and resid 7 and name HA )) ( segid " " and resid 10 and name HD2%) 3.600 1.600 1.600 peak 3292 spectrum 1 weight 0.10000E+01 volume 0.99231E-03 ppm1 3.862 ppm2 1.124 CV 1 ASSI { 3293} (( segid " " and resid 7 and name HA )) ( segid " " and resid 75 and name HD2%) 3.000 1.100 1.100 peak 3293 spectrum 1 weight 0.10000E+01 volume 0.17977E-02 ppm1 3.864 ppm2 0.872 CV 1 ASSI { 3296} (( segid " " and resid 7 and name HA )) ( segid " " and resid 31 and name HD1%) 3.400 1.400 1.400 peak 3296 spectrum 1 weight 0.10000E+01 volume 0.11967E-02 ppm1 3.862 ppm2 0.453 CV 1 ASSI { 3298} (( segid " " and resid 48 and name HB )) (( segid " " and resid 49 and name HN )) 2.500 0.800 0.800 peak 3298 spectrum 1 weight 0.10000E+01 volume 0.28787E-02 ppm1 4.411 ppm2 8.758 CV 1 ASSI { 3299} (( segid " " and resid 48 and name HA )) (( segid " " and resid 49 and name HN )) 3.700 1.800 1.800 peak 3299 spectrum 1 weight 0.10000E+01 volume 0.70054E-03 ppm1 3.955 ppm2 8.754 CV 1 ASSI { 3303} (( segid " " and resid 48 and name HA )) (( segid " " and resid 51 and name HN )) 3.200 1.300 1.300 peak 3303 spectrum 1 weight 0.10000E+01 volume 0.11836E-02 ppm1 3.955 ppm2 8.118 CV 1 ASSI { 3305} (( segid " " and resid 7 and name HB )) (( segid " " and resid 8 and name HN )) 2.700 0.900 0.900 peak 3305 spectrum 1 weight 0.10000E+01 volume 0.26809E-02 ppm1 4.315 ppm2 8.247 CV 1 ASSI { 3313} (( segid " " and resid 48 and name HB )) (( segid " " and resid 45 and name HA )) 3.600 1.600 1.600 peak 3313 spectrum 1 weight 0.10000E+01 volume 0.13574E-02 ppm1 4.412 ppm2 3.884 CV 1 ASSI { 3316} (( segid " " and resid 48 and name HA )) (( segid " " and resid 51 and name HD1 )) 4.500 2.500 1.500 peak 3316 spectrum 1 weight 0.10000E+01 volume 0.25448E-03 ppm1 3.961 ppm2 3.442 CV 1 ASSI { 3317} (( segid " " and resid 48 and name HA )) (( segid " " and resid 51 and name HD2 )) 4.100 2.100 1.900 peak 3317 spectrum 1 weight 0.10000E+01 volume 0.40709E-03 ppm1 3.959 ppm2 3.294 CV 1 ASSI { 3325} (( segid " " and resid 48 and name HB )) ( segid " " and resid 48 and name HG2%) 2.300 0.700 0.700 peak 3325 spectrum 1 weight 0.10000E+01 volume 0.47266E-02 ppm1 4.411 ppm2 1.124 CV 1 ASSI { 3326} (( segid " " and resid 48 and name HB )) ( segid " " and resid 49 and name HB% ) 4.600 2.700 1.400 peak 3326 spectrum 1 weight 0.10000E+01 volume 0.43923E-03 ppm1 4.411 ppm2 1.521 CV 1 ASSI { 3329} (( segid " " and resid 48 and name HA )) ( segid " " and resid 48 and name HG2%) 2.500 0.800 0.800 peak 3329 spectrum 1 weight 0.10000E+01 volume 0.48271E-02 ppm1 3.955 ppm2 1.123 CV 1 ASSI { 3344} (( segid " " and resid 24 and name HB )) (( segid " " and resid 25 and name HN )) 3.600 1.600 1.600 peak 3344 spectrum 1 weight 0.10000E+01 volume 0.18367E-02 ppm1 4.223 ppm2 8.606 CV 1 ASSI { 3345} (( segid " " and resid 24 and name HB )) (( segid " " and resid 24 and name HN )) 2.800 1.000 1.000 peak 3345 spectrum 1 weight 0.10000E+01 volume 0.33924E-02 ppm1 4.223 ppm2 8.131 CV 1 ASSI { 3348} (( segid " " and resid 3 and name HB )) ( segid " " and resid 3 and name HG2%) 2.400 0.700 0.700 peak 3348 spectrum 1 weight 0.10000E+01 volume 0.69486E-02 ppm1 4.181 ppm2 1.378 CV 1 ASSI { 3349} (( segid " " and resid 24 and name HB )) ( segid " " and resid 24 and name HG2%) 2.300 0.600 0.600 peak 3349 spectrum 1 weight 0.10000E+01 volume 0.92843E-02 ppm1 4.223 ppm2 1.275 CV 1 ASSI { 3351} (( segid " " and resid 24 and name HB )) ( segid " " and resid 38 and name HG2%) 4.100 2.100 1.900 peak 3351 spectrum 1 weight 0.10000E+01 volume 0.67116E-03 ppm1 4.225 ppm2 1.067 CV 1 ASSI { 3354} (( segid " " and resid 24 and name HB )) ( segid " " and resid 26 and name HD1%) 4.600 2.600 1.400 peak 3354 spectrum 1 weight 0.10000E+01 volume 0.51086E-03 ppm1 4.222 ppm2 0.688 CV 1 ASSI { 3356} (( segid " " and resid 21 and name HB )) (( segid " " and resid 22 and name HN )) 3.200 1.300 1.300 peak 3356 spectrum 1 weight 0.10000E+01 volume 0.39196E-02 ppm1 4.369 ppm2 8.489 CV 1 ASSI { 3366} (( segid " " and resid 70 and name HB )) (( segid " " and resid 72 and name HN )) 2.700 0.900 0.900 peak 3366 spectrum 1 weight 0.10000E+01 volume 0.21774E-02 ppm1 4.621 ppm2 9.000 CV 1 ASSI { 3369} (( segid " " and resid 70 and name HB )) (( segid " " and resid 71 and name HD1 )) 3.200 1.300 1.300 peak 3369 spectrum 1 weight 0.10000E+01 volume 0.33458E-02 ppm1 4.623 ppm2 4.031 CV 1 ASSI { 3370} (( segid " " and resid 70 and name HB )) (( segid " " and resid 71 and name HD2 )) 2.700 0.900 0.900 peak 3370 spectrum 1 weight 0.10000E+01 volume 0.21526E-02 ppm1 4.624 ppm2 2.817 CV 1 ASSI { 3373} (( segid " " and resid 30 and name HZ )) (( segid " " and resid 11 and name HA )) 3.700 1.700 1.700 peak 3373 spectrum 1 weight 0.10000E+01 volume 0.36965E-03 ppm1 7.344 ppm2 3.521 CV 1 ASSI { 3388} (( segid " " and resid 35 and name HZ )) (( segid " " and resid 71 and name HG2 )) 5.900 4.300 0.100 peak 3388 spectrum 1 weight 0.10000E+01 volume 0.21150E-03 ppm1 6.884 ppm2 1.307 CV 1 ASSI { 3389} (( segid " " and resid 35 and name HZ )) (( segid " " and resid 74 and name HB2 )) 3.400 1.400 1.400 peak 3389 spectrum 1 weight 0.10000E+01 volume 0.25120E-03 ppm1 6.884 ppm2 1.691 CV 1 ASSI { 3396} (( segid " " and resid 35 and name HZ )) ( segid " " and resid 68 and name HG2%) 6.000 4.500 0.000 peak 3396 spectrum 1 weight 0.10000E+01 volume 0.30335E-04 ppm1 6.884 ppm2 1.196 CV 1 ASSI { 3398} (( segid " " and resid 35 and name HZ )) ( segid " " and resid 45 and name HD2%) 6.000 4.700 0.000 peak 3398 spectrum 1 weight 0.10000E+01 volume 0.19751E-04 ppm1 6.878 ppm2 0.353 CV 1 ASSI { 3399} (( segid " " and resid 30 and name HZ )) ( segid " " and resid 31 and name HD1%) 4.600 2.700 1.400 peak 3399 spectrum 1 weight 0.10000E+01 volume 0.20253E-03 ppm1 7.333 ppm2 0.463 CV 1 ASSI { 3409} (( segid " " and resid 30 and name HZ )) (( segid " " and resid 11 and name HN )) 3.800 1.800 1.800 peak 3409 spectrum 1 weight 0.10000E+01 volume 0.54278E-03 ppm1 7.339 ppm2 8.833 CV 1 ASSI { 3410} ( segid " " and resid 30 and name HE% ) ( segid " " and resid 31 and name HD1%) 3.700 1.700 1.700 peak 3410 spectrum 1 weight 0.10000E+01 volume 0.95513E-03 ppm1 7.208 ppm2 0.457 CV 1 ASSI { 3423} ( segid " " and resid 30 and name HE% ) (( segid " " and resid 30 and name HB2 )) 5.400 3.600 0.600 peak 3423 spectrum 1 weight 0.10000E+01 volume 0.20161E-03 ppm1 7.211 ppm2 3.013 CV 1 ASSI { 3428} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 45 and name HD2%) 4.600 2.600 1.400 peak 3428 spectrum 1 weight 0.10000E+01 volume 0.41089E-03 ppm1 6.967 ppm2 0.355 CV 1 ASSI { 3431} ( segid " " and resid 35 and name HE% ) ( segid " " and resid 45 and name HD2%) 3.600 1.600 1.600 peak 3431 spectrum 1 weight 0.10000E+01 volume 0.57196E-03 ppm1 6.924 ppm2 0.353 CV 1 ASSI { 3432} ( segid " " and resid 35 and name HD% ) ( segid " " and resid 45 and name HD1%) 3.700 1.700 1.700 peak 3432 spectrum 1 weight 0.10000E+01 volume 0.63460E-03 ppm1 7.113 ppm2 0.234 CV 1 OR { 3432} ( segid " " and resid 35 and name HD% ) ( segid " " and resid 45 and name HD1%) ASSI { 3436} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 14 and name HD1%) 3.700 1.700 1.700 peak 3436 spectrum 1 weight 0.10000E+01 volume 0.10497E-02 ppm1 6.967 ppm2 0.766 CV 1 ASSI { 3443} ( segid " " and resid 35 and name HD% ) ( segid " " and resid 14 and name HD1%) 4.400 2.400 1.600 peak 3443 spectrum 1 weight 0.10000E+01 volume 0.32071E-03 ppm1 7.115 ppm2 0.761 CV 1 ASSI { 3447} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 71 and name HG2 )) 4.400 2.400 1.600 peak 3447 spectrum 1 weight 0.10000E+01 volume 0.68376E-03 ppm1 6.924 ppm2 1.318 CV 1 ASSI { 3448} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 45 and name HG )) 3.400 1.500 1.500 peak 3448 spectrum 1 weight 0.10000E+01 volume 0.31813E-03 ppm1 7.113 ppm2 1.324 CV 1 ASSI { 3452} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 38 and name HG11)) 2.300 0.600 0.600 peak 3452 spectrum 1 weight 0.10000E+01 volume 0.22890E-02 ppm1 6.967 ppm2 1.826 CV 1 ASSI { 3457} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 74 and name HB2 )) 3.900 1.900 1.900 peak 3457 spectrum 1 weight 0.10000E+01 volume 0.64250E-03 ppm1 6.926 ppm2 1.697 CV 1 ASSI { 3465} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 40 and name HB2 )) 2.600 0.800 0.800 peak 3465 spectrum 1 weight 0.10000E+01 volume 0.35502E-02 ppm1 6.967 ppm2 2.786 CV 1 ASSI { 3468} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 35 and name HB2 )) 4.800 2.800 1.200 peak 3468 spectrum 1 weight 0.10000E+01 volume 0.40006E-03 ppm1 6.926 ppm2 3.087 CV 1 ASSI { 3470} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 35 and name HB1 )) 4.700 2.700 1.300 peak 3470 spectrum 1 weight 0.10000E+01 volume 0.41347E-03 ppm1 6.964 ppm2 3.582 CV 1 ASSI { 3472} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 35 and name HB1 )) 4.700 2.800 1.300 peak 3472 spectrum 1 weight 0.10000E+01 volume 0.38401E-03 ppm1 6.922 ppm2 3.585 CV 1 ASSI { 3476} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 71 and name HA )) 4.700 2.800 1.300 peak 3476 spectrum 1 weight 0.10000E+01 volume 0.37952E-03 ppm1 7.113 ppm2 4.227 CV 1 ASSI { 3480} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 71 and name HA )) 3.400 1.500 1.500 peak 3480 spectrum 1 weight 0.10000E+01 volume 0.14157E-02 ppm1 6.922 ppm2 4.228 CV 1 ASSI { 3484} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 70 and name HN )) 4.900 3.000 1.100 peak 3484 spectrum 1 weight 0.10000E+01 volume 0.12794E-03 ppm1 7.120 ppm2 7.475 CV 1 ASSI { 3486} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 70 and name HN )) 4.000 2.000 2.000 peak 3486 spectrum 1 weight 0.10000E+01 volume 0.23341E-03 ppm1 6.925 ppm2 7.485 CV 1 ASSI { 3490} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 41 and name HN )) 4.600 2.600 1.400 peak 3490 spectrum 1 weight 0.10000E+01 volume 0.50362E-03 ppm1 6.965 ppm2 7.963 CV 1 ASSI { 3498} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 71 and name HG1 )) 3.300 1.400 1.400 peak 3498 spectrum 1 weight 0.10000E+01 volume 0.24086E-02 ppm1 7.303 ppm2 2.182 CV 1 ASSI { 3499} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 71 and name HB2 )) 3.800 1.800 1.800 peak 3499 spectrum 1 weight 0.10000E+01 volume 0.11030E-02 ppm1 7.302 ppm2 2.014 CV 1 ASSI { 3512} ( segid " " and resid 56 and name HD% ) (( segid " " and resid 55 and name HB1 )) 3.200 1.200 1.200 peak 3512 spectrum 1 weight 0.10000E+01 volume 0.82469E-03 ppm1 7.439 ppm2 1.898 CV 1 ASSI { 3518} ( segid " " and resid 56 and name HD% ) ( segid " " and resid 5 and name HD1%) 3.200 1.300 1.300 peak 3518 spectrum 1 weight 0.10000E+01 volume 0.11015E-02 ppm1 7.439 ppm2 0.630 CV 1 OR { 3518} ( segid " " and resid 56 and name HD% ) ( segid " " and resid 5 and name HD1%) OR { 3518} ( segid " " and resid 56 and name HD% ) ( segid " " and resid 5 and name HD2%) OR { 3518} ( segid " " and resid 56 and name HD% ) ( segid " " and resid 5 and name HD2%) ASSI { 3526} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 26 and name HA )) 4.000 2.000 2.000 peak 3526 spectrum 1 weight 0.10000E+01 volume 0.44770E-03 ppm1 7.305 ppm2 4.350 CV 1 ASSI { 3527} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 29 and name HA )) 3.900 1.900 1.900 peak 3527 spectrum 1 weight 0.10000E+01 volume 0.53158E-03 ppm1 7.302 ppm2 4.851 CV 1 ASSI { 3528} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 30 and name HA )) 4.300 2.300 1.700 peak 3528 spectrum 1 weight 0.10000E+01 volume 0.63765E-03 ppm1 7.303 ppm2 4.733 CV 1 ASSI { 3531} ( segid " " and resid 56 and name HD% ) (( segid " " and resid 56 and name HN )) 2.800 1.000 1.000 peak 3531 spectrum 1 weight 0.10000E+01 volume 0.24557E-02 ppm1 7.438 ppm2 8.118 CV 1 ASSI { 3537} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 14 and name HD1%) 3.100 1.200 1.200 peak 3537 spectrum 1 weight 0.10000E+01 volume 0.29989E-02 ppm1 6.750 ppm2 0.767 CV 1 OR { 3537} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 14 and name HD1%) ASSI { 3538} ( segid " " and resid 56 and name HE% ) ( segid " " and resid 5 and name HD2%) 2.600 0.800 0.800 peak 3538 spectrum 1 weight 0.10000E+01 volume 0.33360E-02 ppm1 6.807 ppm2 0.628 CV 1 OR { 3538} ( segid " " and resid 56 and name HE% ) ( segid " " and resid 5 and name HD2%) OR { 3538} ( segid " " and resid 56 and name HE% ) ( segid " " and resid 5 and name HD1%) OR { 3538} ( segid " " and resid 56 and name HE% ) ( segid " " and resid 5 and name HD1%) ASSI { 3539} ( segid " " and resid 56 and name HE% ) ( segid " " and resid 52 and name HD2%) 2.100 0.500 0.500 peak 3539 spectrum 1 weight 0.10000E+01 volume 0.82701E-02 ppm1 6.808 ppm2 1.028 CV 1 ASSI { 3546} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 55 and name HG1 )) 3.300 1.300 1.300 peak 3546 spectrum 1 weight 0.10000E+01 volume 0.16666E-02 ppm1 6.807 ppm2 1.372 CV 1 ASSI { 3548} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 14 and name HB1 )) 3.400 1.500 1.500 peak 3548 spectrum 1 weight 0.10000E+01 volume 0.70752E-03 ppm1 6.749 ppm2 1.982 CV 1 ASSI { 3549} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 55 and name HB1 )) 3.700 1.700 1.700 peak 3549 spectrum 1 weight 0.10000E+01 volume 0.56654E-03 ppm1 6.808 ppm2 1.896 CV 1 ASSI { 3550} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 38 and name HG11)) 3.600 1.600 1.600 peak 3550 spectrum 1 weight 0.10000E+01 volume 0.81085E-03 ppm1 6.749 ppm2 1.826 CV 1 ASSI { 3554} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 40 and name HB1 )) 4.100 2.100 1.900 peak 3554 spectrum 1 weight 0.10000E+01 volume 0.82174E-03 ppm1 6.748 ppm2 3.013 CV 1 ASSI { 3555} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 56 and name HB2 )) 4.100 2.100 1.900 peak 3555 spectrum 1 weight 0.10000E+01 volume 0.96432E-03 ppm1 6.807 ppm2 2.781 CV 1 ASSI { 3556} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 40 and name HB2 )) 4.100 2.100 1.900 peak 3556 spectrum 1 weight 0.10000E+01 volume 0.81446E-03 ppm1 6.750 ppm2 2.787 CV 1 ASSI { 3561} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 52 and name HA )) 3.500 1.500 1.500 peak 3561 spectrum 1 weight 0.10000E+01 volume 0.14140E-02 ppm1 6.808 ppm2 4.306 CV 1 ASSI { 3567} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 56 and name HA )) 3.000 3.000 3.000 peak 3567 spectrum 1 weight 0.10000E+01 volume 0.64617E-03 ppm1 6.806 ppm2 4.676 CV 1 ASSI { 3576} (( segid " " and resid 47 and name HB2 )) (( segid " " and resid 17 and name HB2 )) 5.400 3.700 0.600 peak 3576 spectrum 1 weight 0.10000E+01 volume 0.36089E-03 ppm1 2.204 ppm2 4.054 CV 1 ASSI { 3577} ( segid " " and resid 78 and name HD1%) ( segid " " and resid 74 and name HD2%) 2.300 0.700 0.700 peak 3577 spectrum 1 weight 0.10000E+01 volume 0.64606E-02 ppm1 0.794 ppm2 1.056 CV 1 OR { 3577} ( segid " " and resid 78 and name HD1%) ( segid " " and resid 74 and name HD1%) ASSI { 3578} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 52 and name HB2 )) 2.600 0.900 0.900 peak 3578 spectrum 1 weight 0.10000E+01 volume 0.22413E-02 ppm1 0.793 ppm2 1.452 CV 1 ASSI { 3579} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 82 and name HG )) 2.600 0.800 0.800 peak 3579 spectrum 1 weight 0.10000E+01 volume 0.34180E-02 ppm1 0.979 ppm2 1.845 CV 1 ASSI { 2} (( segid " " and resid 46 and name HN )) (( segid " " and resid 47 and name HN )) 2.300 0.600 0.600 peak 2 spectrum 1 weight 0.10000E+01 volume 0.62339E-02 ppm1 8.227 ppm2 8.490 CV 1 ASSI { 6} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HB2 )) 2.400 0.700 0.700 peak 6 spectrum 1 weight 0.10000E+01 volume 0.64596E-02 ppm1 8.227 ppm2 2.327 CV 1 OR { 6} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HB1 )) ASSI { 11} (( segid " " and resid 50 and name HN )) (( segid " " and resid 49 and name HN )) 2.600 0.800 0.800 peak 11 spectrum 1 weight 0.10000E+01 volume 0.33693E-02 ppm1 8.225 ppm2 8.756 CV 1 ASSI { 14} (( segid " " and resid 78 and name HN )) (( segid " " and resid 78 and name HG11)) 3.300 1.400 1.400 peak 14 spectrum 1 weight 0.10000E+01 volume 0.46852E-02 ppm1 8.272 ppm2 1.726 CV 1 ASSI { 16} (( segid " " and resid 72 and name HH22)) ( segid " " and resid 31 and name HD2%) 2.800 2.800 3.200 peak 16 spectrum 1 weight 0.10000E+01 volume 0.99489E-03 ppm1 6.890 ppm2 0.776 CV 1 OR { 16} (( segid " " and resid 72 and name HH11)) ( segid " " and resid 31 and name HD2%) OR { 16} (( segid " " and resid 72 and name HH21)) ( segid " " and resid 31 and name HD2%) OR { 16} (( segid " " and resid 72 and name HH12)) ( segid " " and resid 31 and name HD2%) ASSI { 20} (( segid " " and resid 72 and name HH22)) (( segid " " and resid 31 and name HB1 )) 2.900 2.900 3.100 peak 20 spectrum 1 weight 0.10000E+01 volume 0.79215E-03 ppm1 6.888 ppm2 1.633 CV 1 OR { 20} (( segid " " and resid 72 and name HH11)) (( segid " " and resid 31 and name HB1 )) OR { 20} (( segid " " and resid 72 and name HH21)) (( segid " " and resid 31 and name HB1 )) OR { 20} (( segid " " and resid 72 and name HH12)) (( segid " " and resid 31 and name HB1 )) ASSI { 21} (( segid " " and resid 72 and name HH11)) (( segid " " and resid 72 and name HG2 )) 4.300 2.300 1.700 peak 21 spectrum 1 weight 0.10000E+01 volume 0.73628E-03 ppm1 6.893 ppm2 1.508 CV 1 ASSI { 27} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HB2 )) 3.400 1.400 1.400 peak 27 spectrum 1 weight 0.10000E+01 volume 0.99592E-03 ppm1 7.472 ppm2 2.872 CV 1 ASSI { 31} (( segid " " and resid 70 and name HN )) (( segid " " and resid 68 and name HA )) 3.600 1.600 1.600 peak 31 spectrum 1 weight 0.10000E+01 volume 0.12592E-02 ppm1 7.474 ppm2 4.439 CV 1 ASSI { 34} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HA )) 3.200 1.300 1.300 peak 34 spectrum 1 weight 0.10000E+01 volume 0.81033E-03 ppm1 7.476 ppm2 4.951 CV 1 ASSI { 35} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HN )) 2.400 0.700 0.700 peak 35 spectrum 1 weight 0.10000E+01 volume 0.56731E-02 ppm1 7.474 ppm2 9.095 CV 1 ASSI { 46} (( segid " " and resid 11 and name HE )) (( segid " " and resid 8 and name HA )) 4.300 2.300 1.700 peak 46 spectrum 1 weight 0.10000E+01 volume 0.45779E-03 ppm1 7.323 ppm2 4.618 CV 1 ASSI { 47} (( segid " " and resid 72 and name HE )) ( segid " " and resid 31 and name HD2%) 4.400 2.400 1.600 peak 47 spectrum 1 weight 0.10000E+01 volume 0.32293E-03 ppm1 9.070 ppm2 0.780 CV 1 ASSI { 48} (( segid " " and resid 72 and name HE )) (( segid " " and resid 31 and name HB2 )) 4.500 2.500 1.500 peak 48 spectrum 1 weight 0.10000E+01 volume 0.47470E-03 ppm1 9.072 ppm2 1.027 CV 1 ASSI { 76} (( segid " " and resid 66 and name HN )) ( segid " " and resid 65 and name HB% ) 2.700 0.900 0.900 peak 76 spectrum 1 weight 0.10000E+01 volume 0.30859E-02 ppm1 8.035 ppm2 1.390 CV 1 ASSI { 78} (( segid " " and resid 66 and name HN )) (( segid " " and resid 67 and name HG2 )) 5.400 3.700 0.600 peak 78 spectrum 1 weight 0.10000E+01 volume 0.40141E-03 ppm1 8.033 ppm2 1.748 CV 1 OR { 78} (( segid " " and resid 66 and name HN )) (( segid " " and resid 67 and name HG1 )) ASSI { 89} (( segid " " and resid 66 and name HN )) (( segid " " and resid 65 and name HA )) 3.000 1.100 1.100 peak 89 spectrum 1 weight 0.10000E+01 volume 0.20369E-02 ppm1 8.035 ppm2 3.986 CV 1 ASSI { 92} (( segid " " and resid 66 and name HN )) (( segid " " and resid 63 and name HA )) 3.500 1.600 1.600 peak 92 spectrum 1 weight 0.10000E+01 volume 0.72208E-03 ppm1 8.036 ppm2 4.523 CV 1 ASSI { 94} (( segid " " and resid 66 and name HN )) (( segid " " and resid 67 and name HN )) 2.500 0.800 0.800 peak 94 spectrum 1 weight 0.10000E+01 volume 0.36573E-02 ppm1 8.035 ppm2 7.494 CV 1 ASSI { 95} (( segid " " and resid 66 and name HN )) (( segid " " and resid 64 and name HN )) 3.500 1.500 1.500 peak 95 spectrum 1 weight 0.10000E+01 volume 0.68898E-03 ppm1 8.035 ppm2 7.397 CV 1 ASSI { 96} (( segid " " and resid 66 and name HN )) (( segid " " and resid 68 and name HN )) 4.400 2.400 1.600 peak 96 spectrum 1 weight 0.10000E+01 volume 0.59711E-03 ppm1 8.036 ppm2 7.317 CV 1 ASSI { 97} (( segid " " and resid 66 and name HN )) (( segid " " and resid 65 and name HN )) 2.500 0.800 0.800 peak 97 spectrum 1 weight 0.10000E+01 volume 0.34684E-02 ppm1 8.035 ppm2 8.217 CV 1 ASSI { 99} (( segid " " and resid 39 and name HN )) (( segid " " and resid 40 and name HB1 )) 4.600 2.600 1.400 peak 99 spectrum 1 weight 0.10000E+01 volume 0.52032E-03 ppm1 7.713 ppm2 3.004 CV 1 ASSI { 101} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HB )) 4.000 2.000 2.000 peak 101 spectrum 1 weight 0.10000E+01 volume 0.72812E-03 ppm1 7.713 ppm2 2.456 CV 1 ASSI { 102} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HG11)) 3.800 1.800 1.800 peak 102 spectrum 1 weight 0.10000E+01 volume 0.69233E-03 ppm1 7.714 ppm2 1.826 CV 1 ASSI { 103} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HG12)) 4.200 2.200 1.800 peak 103 spectrum 1 weight 0.10000E+01 volume 0.64772E-03 ppm1 7.714 ppm2 1.541 CV 1 ASSI { 104} (( segid " " and resid 39 and name HN )) ( segid " " and resid 38 and name HG2%) 3.100 1.200 1.200 peak 104 spectrum 1 weight 0.10000E+01 volume 0.65314E-03 ppm1 7.713 ppm2 1.054 CV 1 ASSI { 105} (( segid " " and resid 39 and name HN )) ( segid " " and resid 38 and name HD1%) 5.500 3.800 0.500 peak 105 spectrum 1 weight 0.10000E+01 volume 0.31359E-03 ppm1 7.714 ppm2 0.874 CV 1 ASSI { 108} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HA )) 3.000 1.100 1.100 peak 108 spectrum 1 weight 0.10000E+01 volume 0.16937E-02 ppm1 7.713 ppm2 4.661 CV 1 ASSI { 112} (( segid " " and resid 39 and name HN )) (( segid " " and resid 40 and name HN )) 2.400 0.700 0.700 peak 112 spectrum 1 weight 0.10000E+01 volume 0.48685E-02 ppm1 7.714 ppm2 8.058 CV 1 ASSI { 114} (( segid " " and resid 19 and name HN )) (( segid " " and resid 20 and name HN )) 3.600 1.600 1.600 peak 114 spectrum 1 weight 0.10000E+01 volume 0.20819E-02 ppm1 8.242 ppm2 8.485 CV 1 ASSI { 117} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HA1 )) 2.300 0.600 0.600 peak 117 spectrum 1 weight 0.10000E+01 volume 0.10514E-01 ppm1 8.243 ppm2 4.057 CV 1 OR { 117} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HA2 )) ASSI { 118} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HA )) 2.800 1.000 1.000 peak 118 spectrum 1 weight 0.10000E+01 volume 0.44638E-02 ppm1 8.242 ppm2 4.366 CV 1 ASSI { 119} (( segid " " and resid 19 and name HN )) (( segid " " and resid 15 and name HA )) 3.600 1.700 1.700 peak 119 spectrum 1 weight 0.10000E+01 volume 0.85639E-03 ppm1 8.242 ppm2 3.949 CV 1 ASSI { 120} (( segid " " and resid 19 and name HN )) (( segid " " and resid 17 and name HA )) 4.100 2.100 1.900 peak 120 spectrum 1 weight 0.10000E+01 volume 0.40065E-03 ppm1 8.242 ppm2 4.560 CV 1 ASSI { 122} (( segid " " and resid 19 and name HN )) ( segid " " and resid 15 and name HG1%) 3.500 1.500 1.500 peak 122 spectrum 1 weight 0.10000E+01 volume 0.27929E-03 ppm1 8.244 ppm2 1.033 CV 1 ASSI { 123} (( segid " " and resid 79 and name HD22)) (( segid " " and resid 5 and name HN )) 3.000 1.100 1.100 peak 123 spectrum 1 weight 0.10000E+01 volume 0.76158E-03 ppm1 7.670 ppm2 9.424 CV 1 ASSI { 127} (( segid " " and resid 79 and name HD22)) ( segid " " and resid 4 and name HD2%) 4.100 2.100 1.900 peak 127 spectrum 1 weight 0.10000E+01 volume 0.55022E-03 ppm1 7.669 ppm2 0.961 CV 1 ASSI { 130} (( segid " " and resid 79 and name HD22)) (( segid " " and resid 75 and name HG )) 2.900 1.000 1.000 peak 130 spectrum 1 weight 0.10000E+01 volume 0.14868E-02 ppm1 7.669 ppm2 1.690 CV 1 ASSI { 132} (( segid " " and resid 79 and name HD22)) (( segid " " and resid 4 and name HB2 )) 4.500 2.600 1.500 peak 132 spectrum 1 weight 0.10000E+01 volume 0.54377E-03 ppm1 7.669 ppm2 1.475 CV 1 ASSI { 133} (( segid " " and resid 79 and name HD22)) (( segid " " and resid 5 and name HB2 )) 2.900 1.100 1.100 peak 133 spectrum 1 weight 0.10000E+01 volume 0.53932E-03 ppm1 7.672 ppm2 1.364 CV 1 ASSI { 137} (( segid " " and resid 79 and name HD21)) (( segid " " and resid 5 and name HB2 )) 3.900 1.900 1.900 peak 137 spectrum 1 weight 0.10000E+01 volume 0.95678E-03 ppm1 7.330 ppm2 1.357 CV 1 ASSI { 139} (( segid " " and resid 79 and name HD22)) (( segid " " and resid 76 and name HA )) 3.400 3.400 2.600 peak 139 spectrum 1 weight 0.10000E+01 volume 0.35664E-03 ppm1 7.671 ppm2 4.493 CV 1 ASSI { 142} (( segid " " and resid 79 and name HD21)) (( segid " " and resid 4 and name HA )) 4.500 2.600 1.500 peak 142 spectrum 1 weight 0.10000E+01 volume 0.26375E-03 ppm1 7.327 ppm2 4.353 CV 1 ASSI { 145} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HB1 )) 3.300 1.300 1.300 peak 145 spectrum 1 weight 0.10000E+01 volume 0.15930E-02 ppm1 8.491 ppm2 2.833 CV 1 OR { 145} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HB2 )) ASSI { 147} (( segid " " and resid 57 and name HN )) (( segid " " and resid 54 and name HA )) 3.700 1.700 1.700 peak 147 spectrum 1 weight 0.10000E+01 volume 0.58492E-03 ppm1 7.963 ppm2 4.379 CV 1 ASSI { 150} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HA2 )) 2.300 0.700 0.700 peak 150 spectrum 1 weight 0.10000E+01 volume 0.10202E-01 ppm1 8.492 ppm2 4.072 CV 1 OR { 150} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HA1 )) ASSI { 151} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HA )) 2.700 0.900 0.900 peak 151 spectrum 1 weight 0.10000E+01 volume 0.38708E-02 ppm1 8.491 ppm2 4.721 CV 1 ASSI { 153} (( segid " " and resid 23 and name HN )) (( segid " " and resid 24 and name HN )) 2.800 1.000 1.000 peak 153 spectrum 1 weight 0.10000E+01 volume 0.27304E-02 ppm1 8.491 ppm2 8.135 CV 1 ASSI { 154} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HN )) 2.300 0.700 0.700 peak 154 spectrum 1 weight 0.10000E+01 volume 0.40595E-02 ppm1 7.963 ppm2 8.119 CV 1 ASSI { 155} (( segid " " and resid 80 and name HN )) (( segid " " and resid 81 and name HN )) 2.600 0.800 0.800 peak 155 spectrum 1 weight 0.10000E+01 volume 0.41417E-02 ppm1 8.417 ppm2 7.584 CV 1 ASSI { 156} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HN )) 2.600 0.900 0.900 peak 156 spectrum 1 weight 0.10000E+01 volume 0.30613E-02 ppm1 8.417 ppm2 8.876 CV 1 ASSI { 157} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HA )) 3.500 1.500 1.500 peak 157 spectrum 1 weight 0.10000E+01 volume 0.86471E-03 ppm1 8.417 ppm2 4.904 CV 1 ASSI { 159} (( segid " " and resid 80 and name HN )) (( segid " " and resid 77 and name HA )) 3.200 1.300 1.300 peak 159 spectrum 1 weight 0.10000E+01 volume 0.11381E-02 ppm1 8.417 ppm2 4.269 CV 1 ASSI { 161} (( segid " " and resid 80 and name HN )) (( segid " " and resid 78 and name HA )) 3.900 1.900 1.900 peak 161 spectrum 1 weight 0.10000E+01 volume 0.40088E-03 ppm1 8.416 ppm2 3.738 CV 1 ASSI { 162} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HB1 )) 3.900 1.900 1.900 peak 162 spectrum 1 weight 0.10000E+01 volume 0.13132E-02 ppm1 8.417 ppm2 3.092 CV 1 ASSI { 163} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HB2 )) 3.000 1.200 1.200 peak 163 spectrum 1 weight 0.10000E+01 volume 0.11115E-02 ppm1 8.417 ppm2 2.766 CV 1 ASSI { 164} (( segid " " and resid 80 and name HN )) (( segid " " and resid 78 and name HB )) 4.600 2.600 1.400 peak 164 spectrum 1 weight 0.10000E+01 volume 0.43167E-03 ppm1 8.416 ppm2 1.930 CV 1 ASSI { 167} (( segid " " and resid 80 and name HN )) ( segid " " and resid 78 and name HG2%) 4.200 2.200 1.800 peak 167 spectrum 1 weight 0.10000E+01 volume 0.46991E-03 ppm1 8.416 ppm2 0.875 CV 1 ASSI { 168} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HA )) 2.400 0.700 0.700 peak 168 spectrum 1 weight 0.10000E+01 volume 0.61064E-02 ppm1 8.560 ppm2 4.285 CV 1 ASSI { 169} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HB1 )) 3.400 1.500 1.500 peak 169 spectrum 1 weight 0.10000E+01 volume 0.13430E-02 ppm1 8.559 ppm2 4.032 CV 1 ASSI { 173} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HA )) 3.100 1.200 1.200 peak 173 spectrum 1 weight 0.10000E+01 volume 0.17445E-02 ppm1 8.049 ppm2 5.044 CV 1 ASSI { 174} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HN )) 2.600 0.900 0.900 peak 174 spectrum 1 weight 0.10000E+01 volume 0.24514E-02 ppm1 8.047 ppm2 7.509 CV 1 ASSI { 176} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HB1 )) 3.200 1.300 1.300 peak 176 spectrum 1 weight 0.10000E+01 volume 0.20373E-02 ppm1 8.048 ppm2 3.030 CV 1 ASSI { 177} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HB2 )) 2.700 0.900 0.900 peak 177 spectrum 1 weight 0.10000E+01 volume 0.34121E-02 ppm1 8.047 ppm2 2.357 CV 1 ASSI { 178} (( segid " " and resid 32 and name HN )) (( segid " " and resid 33 and name HG )) 4.100 2.100 1.900 peak 178 spectrum 1 weight 0.10000E+01 volume 0.94650E-03 ppm1 8.047 ppm2 1.774 CV 1 OR { 178} (( segid " " and resid 32 and name HN )) (( segid " " and resid 33 and name HB1 )) ASSI { 181} (( segid " " and resid 32 and name HN )) ( segid " " and resid 33 and name HD1%) 5.200 3.400 0.800 peak 181 spectrum 1 weight 0.10000E+01 volume 0.42929E-03 ppm1 8.048 ppm2 0.951 CV 1 ASSI { 183} (( segid " " and resid 32 and name HN )) ( segid " " and resid 31 and name HD1%) 4.700 2.800 1.300 peak 183 spectrum 1 weight 0.10000E+01 volume 0.43723E-03 ppm1 8.049 ppm2 0.452 CV 1 ASSI { 186} (( segid " " and resid 58 and name HN )) (( segid " " and resid 58 and name HA )) 2.700 0.900 0.900 peak 186 spectrum 1 weight 0.10000E+01 volume 0.24330E-02 ppm1 7.530 ppm2 4.682 CV 1 ASSI { 190} (( segid " " and resid 58 and name HN )) (( segid " " and resid 53 and name HB1 )) 4.600 2.700 1.400 peak 190 spectrum 1 weight 0.10000E+01 volume 0.34363E-03 ppm1 7.531 ppm2 2.498 CV 1 ASSI { 191} (( segid " " and resid 58 and name HN )) (( segid " " and resid 53 and name HG2 )) 4.700 2.800 1.300 peak 191 spectrum 1 weight 0.10000E+01 volume 0.40160E-03 ppm1 7.527 ppm2 2.314 CV 1 ASSI { 194} (( segid " " and resid 58 and name HN )) (( segid " " and resid 56 and name HN )) 3.800 1.800 1.800 peak 194 spectrum 1 weight 0.10000E+01 volume 0.80785E-03 ppm1 7.530 ppm2 8.128 CV 1 ASSI { 195} (( segid " " and resid 58 and name HN )) (( segid " " and resid 57 and name HN )) 2.500 0.800 0.800 peak 195 spectrum 1 weight 0.10000E+01 volume 0.31366E-02 ppm1 7.529 ppm2 7.960 CV 1 ASSI { 196} (( segid " " and resid 58 and name HN )) (( segid " " and resid 59 and name HN )) 4.400 2.400 1.600 peak 196 spectrum 1 weight 0.10000E+01 volume 0.61126E-03 ppm1 7.532 ppm2 8.483 CV 1 ASSI { 199} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HB )) 3.600 1.600 1.600 peak 199 spectrum 1 weight 0.10000E+01 volume 0.13813E-02 ppm1 7.712 ppm2 2.454 CV 1 ASSI { 200} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HG11)) 3.000 1.100 1.100 peak 200 spectrum 1 weight 0.10000E+01 volume 0.27543E-02 ppm1 7.712 ppm2 1.825 CV 1 ASSI { 201} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HG12)) 2.100 0.500 0.500 peak 201 spectrum 1 weight 0.10000E+01 volume 0.35604E-02 ppm1 7.713 ppm2 1.539 CV 1 ASSI { 202} (( segid " " and resid 38 and name HN )) ( segid " " and resid 38 and name HG2%) 2.800 1.000 1.000 peak 202 spectrum 1 weight 0.10000E+01 volume 0.24514E-02 ppm1 7.712 ppm2 1.054 CV 1 ASSI { 203} (( segid " " and resid 38 and name HN )) ( segid " " and resid 38 and name HD1%) 4.400 2.400 1.600 peak 203 spectrum 1 weight 0.10000E+01 volume 0.11872E-02 ppm1 7.712 ppm2 0.873 CV 1 ASSI { 204} (( segid " " and resid 54 and name HN )) (( segid " " and resid 55 and name HB2 )) 4.300 2.300 1.700 peak 204 spectrum 1 weight 0.10000E+01 volume 0.64705E-03 ppm1 8.036 ppm2 1.637 CV 1 ASSI { 205} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HG1 )) 4.200 2.200 1.800 peak 205 spectrum 1 weight 0.10000E+01 volume 0.95373E-03 ppm1 8.035 ppm2 2.759 CV 1 ASSI { 206} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HB1 )) 3.500 1.500 1.500 peak 206 spectrum 1 weight 0.10000E+01 volume 0.19124E-02 ppm1 8.035 ppm2 2.503 CV 1 ASSI { 207} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HB2 )) 2.500 0.800 0.800 peak 207 spectrum 1 weight 0.10000E+01 volume 0.27156E-02 ppm1 8.035 ppm2 2.350 CV 1 ASSI { 209} (( segid " " and resid 54 and name HN )) (( segid " " and resid 55 and name HB1 )) 5.000 3.100 1.000 peak 209 spectrum 1 weight 0.10000E+01 volume 0.34264E-03 ppm1 8.034 ppm2 1.892 CV 1 ASSI { 213} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HA )) 3.600 1.600 1.600 peak 213 spectrum 1 weight 0.10000E+01 volume 0.72404E-03 ppm1 7.713 ppm2 4.812 CV 1 ASSI { 214} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HA )) 2.800 1.000 1.000 peak 214 spectrum 1 weight 0.10000E+01 volume 0.21980E-02 ppm1 7.713 ppm2 4.660 CV 1 ASSI { 218} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HN )) 2.600 0.800 0.800 peak 218 spectrum 1 weight 0.10000E+01 volume 0.35736E-02 ppm1 8.035 ppm2 8.962 CV 1 ASSI { 219} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HN )) 2.300 0.700 0.700 peak 219 spectrum 1 weight 0.10000E+01 volume 0.48868E-02 ppm1 7.713 ppm2 7.552 CV 1 ASSI { 224} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HB1 )) 3.000 1.100 1.100 peak 224 spectrum 1 weight 0.10000E+01 volume 0.79205E-03 ppm1 8.123 ppm2 1.891 CV 1 ASSI { 225} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HB2 )) 3.900 1.900 1.900 peak 225 spectrum 1 weight 0.10000E+01 volume 0.14554E-02 ppm1 8.122 ppm2 1.615 CV 1 ASSI { 229} (( segid " " and resid 56 and name HN )) (( segid " " and resid 56 and name HA )) 3.000 1.100 1.100 peak 229 spectrum 1 weight 0.10000E+01 volume 0.19057E-02 ppm1 8.124 ppm2 4.677 CV 1 ASSI { 236} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HA )) 2.900 1.000 1.000 peak 236 spectrum 1 weight 0.10000E+01 volume 0.26419E-02 ppm1 7.816 ppm2 4.562 CV 1 ASSI { 238} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HA )) 3.300 1.400 1.400 peak 238 spectrum 1 weight 0.10000E+01 volume 0.14582E-02 ppm1 7.816 ppm2 4.209 CV 1 ASSI { 239} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HB1 )) 3.100 1.200 1.200 peak 239 spectrum 1 weight 0.10000E+01 volume 0.19301E-02 ppm1 7.815 ppm2 4.141 CV 1 ASSI { 240} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HB2 )) 2.900 1.100 1.100 peak 240 spectrum 1 weight 0.10000E+01 volume 0.16097E-02 ppm1 7.816 ppm2 4.050 CV 1 ASSI { 242} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HG1 )) 5.600 4.000 0.400 peak 242 spectrum 1 weight 0.10000E+01 volume 0.26432E-03 ppm1 7.813 ppm2 2.615 CV 1 ASSI { 243} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HG2 )) 4.900 3.000 1.100 peak 243 spectrum 1 weight 0.10000E+01 volume 0.39486E-03 ppm1 7.816 ppm2 2.381 CV 1 ASSI { 245} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HB2 )) 3.200 1.300 1.300 peak 245 spectrum 1 weight 0.10000E+01 volume 0.73478E-03 ppm1 7.815 ppm2 2.139 CV 1 ASSI { 249} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HA )) 2.400 0.700 0.700 peak 249 spectrum 1 weight 0.10000E+01 volume 0.81668E-02 ppm1 8.244 ppm2 4.478 CV 1 ASSI { 250} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HB )) 3.100 1.200 1.200 peak 250 spectrum 1 weight 0.10000E+01 volume 0.19468E-02 ppm1 8.244 ppm2 4.369 CV 1 ASSI { 253} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HB1 )) 3.200 1.300 1.300 peak 253 spectrum 1 weight 0.10000E+01 volume 0.13483E-02 ppm1 8.244 ppm2 2.234 CV 1 ASSI { 254} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HB2 )) 4.000 2.000 2.000 peak 254 spectrum 1 weight 0.10000E+01 volume 0.84963E-03 ppm1 8.245 ppm2 2.069 CV 1 ASSI { 263} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HB2 )) 3.000 1.100 1.100 peak 263 spectrum 1 weight 0.10000E+01 volume 0.39294E-02 ppm1 8.924 ppm2 4.347 CV 1 ASSI { 265} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HB1 )) 2.900 1.000 1.000 peak 265 spectrum 1 weight 0.10000E+01 volume 0.25535E-02 ppm1 8.924 ppm2 4.180 CV 1 ASSI { 267} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HN )) 3.400 1.400 1.400 peak 267 spectrum 1 weight 0.10000E+01 volume 0.56303E-03 ppm1 8.924 ppm2 7.975 CV 1 ASSI { 268} (( segid " " and resid 42 and name HN )) (( segid " " and resid 43 and name HN )) 2.600 0.800 0.800 peak 268 spectrum 1 weight 0.10000E+01 volume 0.24853E-02 ppm1 8.924 ppm2 7.787 CV 1 ASSI { 271} (( segid " " and resid 6 and name HN )) (( segid " " and resid 6 and name HA )) 3.400 1.500 1.500 peak 271 spectrum 1 weight 0.10000E+01 volume 0.55812E-03 ppm1 9.029 ppm2 4.767 CV 1 ASSI { 273} (( segid " " and resid 6 and name HN )) (( segid " " and resid 9 and name HB1 )) 3.700 1.700 1.700 peak 273 spectrum 1 weight 0.10000E+01 volume 0.26367E-02 ppm1 9.030 ppm2 3.031 CV 1 ASSI { 275} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HB1 )) 2.700 0.900 0.900 peak 275 spectrum 1 weight 0.10000E+01 volume 0.21784E-02 ppm1 9.029 ppm2 1.573 CV 1 OR { 275} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HG )) ASSI { 280} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HB1 )) 3.900 1.900 1.900 peak 280 spectrum 1 weight 0.10000E+01 volume 0.70003E-03 ppm1 8.230 ppm2 1.452 CV 1 ASSI { 281} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HB2 )) 4.700 2.700 1.300 peak 281 spectrum 1 weight 0.10000E+01 volume 0.36169E-03 ppm1 8.233 ppm2 1.236 CV 1 ASSI { 282} (( segid " " and resid 27 and name HN )) ( segid " " and resid 26 and name HD2%) 5.100 3.200 0.900 peak 282 spectrum 1 weight 0.10000E+01 volume 0.34200E-03 ppm1 8.232 ppm2 0.794 CV 1 ASSI { 285} (( segid " " and resid 27 and name HN )) (( segid " " and resid 25 and name HA )) 4.000 2.000 2.000 peak 285 spectrum 1 weight 0.10000E+01 volume 0.76602E-03 ppm1 8.231 ppm2 4.709 CV 1 ASSI { 286} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HA )) 2.700 0.900 0.900 peak 286 spectrum 1 weight 0.10000E+01 volume 0.37612E-02 ppm1 8.230 ppm2 4.357 CV 1 ASSI { 287} (( segid " " and resid 27 and name HN )) (( segid " " and resid 28 and name HN )) 3.400 1.500 1.500 peak 287 spectrum 1 weight 0.10000E+01 volume 0.25957E-02 ppm1 8.230 ppm2 8.559 CV 1 ASSI { 288} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HN )) 2.600 0.800 0.800 peak 288 spectrum 1 weight 0.10000E+01 volume 0.41052E-02 ppm1 8.230 ppm2 8.463 CV 1 ASSI { 290} (( segid " " and resid 27 and name HN )) (( segid " " and resid 30 and name HB2 )) 5.400 3.700 0.600 peak 290 spectrum 1 weight 0.10000E+01 volume 0.18511E-03 ppm1 8.231 ppm2 3.009 CV 1 ASSI { 301} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HN )) 2.400 0.700 0.700 peak 301 spectrum 1 weight 0.10000E+01 volume 0.45572E-02 ppm1 7.327 ppm2 7.493 CV 1 ASSI { 302} (( segid " " and resid 68 and name HN )) (( segid " " and resid 69 and name HN )) 4.800 2.800 1.200 peak 302 spectrum 1 weight 0.10000E+01 volume 0.33152E-03 ppm1 7.327 ppm2 9.091 CV 1 ASSI { 305} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HA )) 3.200 1.300 1.300 peak 305 spectrum 1 weight 0.10000E+01 volume 0.17342E-02 ppm1 7.327 ppm2 4.617 CV 1 ASSI { 307} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HB2 )) 4.400 2.400 1.600 peak 307 spectrum 1 weight 0.10000E+01 volume 0.70834E-03 ppm1 7.328 ppm2 1.852 CV 1 ASSI { 308} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HG2 )) 4.100 2.100 1.900 peak 308 spectrum 1 weight 0.10000E+01 volume 0.44811E-03 ppm1 7.329 ppm2 1.754 CV 1 OR { 308} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HG1 )) ASSI { 310} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HB1 )) 3.200 1.300 1.300 peak 310 spectrum 1 weight 0.10000E+01 volume 0.46989E-03 ppm1 7.327 ppm2 2.079 CV 1 ASSI { 323} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HG1 )) 2.400 0.700 0.700 peak 323 spectrum 1 weight 0.10000E+01 volume 0.29372E-02 ppm1 7.974 ppm2 1.919 CV 1 ASSI { 325} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HD2 )) 5.300 3.500 0.700 peak 325 spectrum 1 weight 0.10000E+01 volume 0.31386E-03 ppm1 7.972 ppm2 3.313 CV 1 ASSI { 326} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HD2 )) 4.900 3.000 1.100 peak 326 spectrum 1 weight 0.10000E+01 volume 0.27421E-03 ppm1 7.973 ppm2 3.198 CV 1 OR { 326} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HD1 )) ASSI { 327} (( segid " " and resid 12 and name HN )) (( segid " " and resid 8 and name HB2 )) 4.100 2.100 1.900 peak 327 spectrum 1 weight 0.10000E+01 volume 0.29877E-03 ppm1 7.973 ppm2 2.706 CV 1 OR { 327} (( segid " " and resid 12 and name HN )) (( segid " " and resid 8 and name HB1 )) ASSI { 329} (( segid " " and resid 12 and name HN )) (( segid " " and resid 8 and name HA )) 4.100 2.100 1.900 peak 329 spectrum 1 weight 0.10000E+01 volume 0.60320E-03 ppm1 7.974 ppm2 4.619 CV 1 ASSI { 330} (( segid " " and resid 12 and name HN )) (( segid " " and resid 9 and name HA )) 3.400 1.400 1.400 peak 330 spectrum 1 weight 0.10000E+01 volume 0.94919E-03 ppm1 7.973 ppm2 4.547 CV 1 ASSI { 332} (( segid " " and resid 12 and name HN )) (( segid " " and resid 13 and name HN )) 2.400 0.700 0.700 peak 332 spectrum 1 weight 0.10000E+01 volume 0.43821E-02 ppm1 7.974 ppm2 7.704 CV 1 ASSI { 335} (( segid " " and resid 7 and name HN )) (( segid " " and resid 8 and name HN )) 2.700 0.900 0.900 peak 335 spectrum 1 weight 0.10000E+01 volume 0.24132E-02 ppm1 8.836 ppm2 8.246 CV 1 ASSI { 336} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HB )) 2.600 0.800 0.800 peak 336 spectrum 1 weight 0.10000E+01 volume 0.31411E-02 ppm1 8.835 ppm2 4.314 CV 1 ASSI { 337} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HA )) 2.700 0.900 0.900 peak 337 spectrum 1 weight 0.10000E+01 volume 0.27895E-02 ppm1 8.835 ppm2 3.864 CV 1 ASSI { 338} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HB )) 2.100 0.600 0.600 peak 338 spectrum 1 weight 0.10000E+01 volume 0.49999E-02 ppm1 8.836 ppm2 4.849 CV 1 ASSI { 342} (( segid " " and resid 7 and name HN )) ( segid " " and resid 75 and name HD2%) 3.900 1.900 1.900 peak 342 spectrum 1 weight 0.10000E+01 volume 0.55709E-03 ppm1 8.835 ppm2 0.879 CV 1 ASSI { 346} (( segid " " and resid 24 and name HN )) (( segid " " and resid 22 and name HB1 )) 4.200 2.200 1.800 peak 346 spectrum 1 weight 0.10000E+01 volume 0.43585E-03 ppm1 8.133 ppm2 2.840 CV 1 OR { 346} (( segid " " and resid 24 and name HN )) (( segid " " and resid 22 and name HB2 )) ASSI { 351} (( segid " " and resid 24 and name HN )) ( segid " " and resid 24 and name HG2%) 2.800 1.000 1.000 peak 351 spectrum 1 weight 0.10000E+01 volume 0.25393E-02 ppm1 8.132 ppm2 1.275 CV 1 ASSI { 353} (( segid " " and resid 24 and name HN )) (( segid " " and resid 25 and name HN )) 3.700 1.700 1.700 peak 353 spectrum 1 weight 0.10000E+01 volume 0.12895E-02 ppm1 8.132 ppm2 8.609 CV 1 ASSI { 354} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HD1 )) 4.900 3.000 1.100 peak 354 spectrum 1 weight 0.10000E+01 volume 0.34812E-03 ppm1 8.459 ppm2 3.446 CV 1 ASSI { 355} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HD2 )) 5.200 3.300 0.800 peak 355 spectrum 1 weight 0.10000E+01 volume 0.38941E-03 ppm1 8.460 ppm2 3.349 CV 1 ASSI { 356} (( segid " " and resid 34 and name HN )) (( segid " " and resid 37 and name HB1 )) 3.300 1.400 1.400 peak 356 spectrum 1 weight 0.10000E+01 volume 0.60615E-03 ppm1 8.456 ppm2 3.093 CV 1 ASSI { 358} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HB1 )) 3.900 1.900 1.900 peak 358 spectrum 1 weight 0.10000E+01 volume 0.10963E-02 ppm1 8.456 ppm2 2.176 CV 1 ASSI { 359} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HG1 )) 2.700 0.900 0.900 peak 359 spectrum 1 weight 0.10000E+01 volume 0.20535E-02 ppm1 8.458 ppm2 1.939 CV 1 ASSI { 360} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HB2 )) 2.600 0.800 0.800 peak 360 spectrum 1 weight 0.10000E+01 volume 0.23868E-02 ppm1 8.457 ppm2 1.851 CV 1 ASSI { 361} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HB1 )) 3.000 1.100 1.100 peak 361 spectrum 1 weight 0.10000E+01 volume 0.12040E-02 ppm1 8.459 ppm2 1.768 CV 1 OR { 361} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HG )) ASSI { 362} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HG2 )) 4.000 2.000 2.000 peak 362 spectrum 1 weight 0.10000E+01 volume 0.96985E-03 ppm1 8.454 ppm2 1.620 CV 1 ASSI { 363} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HB2 )) 3.400 1.400 1.400 peak 363 spectrum 1 weight 0.10000E+01 volume 0.17269E-02 ppm1 8.458 ppm2 1.407 CV 1 ASSI { 367} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HA )) 3.400 1.400 1.400 peak 367 spectrum 1 weight 0.10000E+01 volume 0.67416E-03 ppm1 8.457 ppm2 4.728 CV 1 ASSI { 370} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HG1 )) 3.000 1.100 1.100 peak 370 spectrum 1 weight 0.10000E+01 volume 0.23946E-02 ppm1 7.837 ppm2 2.639 CV 1 ASSI { 371} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HB1 )) 2.900 1.100 1.100 peak 371 spectrum 1 weight 0.10000E+01 volume 0.37101E-02 ppm1 7.837 ppm2 2.474 CV 1 ASSI { 372} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HB2 )) 2.700 0.900 0.900 peak 372 spectrum 1 weight 0.10000E+01 volume 0.19831E-02 ppm1 7.837 ppm2 2.272 CV 1 ASSI { 373} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HB1 )) 3.200 1.300 1.300 peak 373 spectrum 1 weight 0.10000E+01 volume 0.62267E-03 ppm1 7.836 ppm2 1.860 CV 1 ASSI { 374} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HB2 )) 3.900 1.900 1.900 peak 374 spectrum 1 weight 0.10000E+01 volume 0.98549E-03 ppm1 7.835 ppm2 1.601 CV 1 ASSI { 376} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HA )) 2.900 1.100 1.100 peak 376 spectrum 1 weight 0.10000E+01 volume 0.21427E-02 ppm1 7.837 ppm2 4.238 CV 1 ASSI { 378} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HN )) 2.900 1.000 1.000 peak 378 spectrum 1 weight 0.10000E+01 volume 0.18125E-02 ppm1 7.837 ppm2 8.997 CV 1 ASSI { 380} (( segid " " and resid 73 and name HN )) (( segid " " and resid 70 and name HN )) 3.600 1.600 1.600 peak 380 spectrum 1 weight 0.10000E+01 volume 0.86140E-03 ppm1 7.834 ppm2 7.475 CV 1 ASSI { 388} (( segid " " and resid 63 and name HN )) (( segid " " and resid 64 and name HB )) 4.800 2.900 1.200 peak 388 spectrum 1 weight 0.10000E+01 volume 0.40442E-03 ppm1 8.620 ppm2 2.196 CV 1 ASSI { 389} (( segid " " and resid 63 and name HN )) (( segid " " and resid 61 and name HB2 )) 3.100 1.200 1.200 peak 389 spectrum 1 weight 0.10000E+01 volume 0.12088E-02 ppm1 8.619 ppm2 2.063 CV 1 ASSI { 390} (( segid " " and resid 63 and name HN )) ( segid " " and resid 64 and name HG2%) 4.700 2.800 1.300 peak 390 spectrum 1 weight 0.10000E+01 volume 0.54387E-03 ppm1 8.617 ppm2 1.021 CV 1 ASSI { 396} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HN )) 2.800 1.000 1.000 peak 396 spectrum 1 weight 0.10000E+01 volume 0.23574E-02 ppm1 8.618 ppm2 8.821 CV 1 ASSI { 402} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HB1 )) 2.700 0.900 0.900 peak 402 spectrum 1 weight 0.10000E+01 volume 0.19440E-02 ppm1 7.495 ppm2 2.075 CV 1 ASSI { 404} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HG2 )) 3.600 1.600 1.600 peak 404 spectrum 1 weight 0.10000E+01 volume 0.28364E-02 ppm1 7.495 ppm2 1.752 CV 1 OR { 404} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HG1 )) ASSI { 405} (( segid " " and resid 67 and name HN )) ( segid " " and resid 68 and name HG2%) 3.800 1.800 1.800 peak 405 spectrum 1 weight 0.10000E+01 volume 0.98709E-03 ppm1 7.493 ppm2 1.207 CV 1 ASSI { 406} (( segid " " and resid 67 and name HN )) ( segid " " and resid 68 and name HG1%) 4.500 2.500 1.500 peak 406 spectrum 1 weight 0.10000E+01 volume 0.62438E-03 ppm1 7.494 ppm2 1.125 CV 1 ASSI { 407} (( segid " " and resid 67 and name HN )) ( segid " " and resid 65 and name HB% ) 5.000 3.100 1.000 peak 407 spectrum 1 weight 0.10000E+01 volume 0.27786E-03 ppm1 7.496 ppm2 1.391 CV 1 ASSI { 411} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HA )) 2.800 1.000 1.000 peak 411 spectrum 1 weight 0.10000E+01 volume 0.20570E-02 ppm1 8.482 ppm2 4.839 CV 1 ASSI { 420} (( segid " " and resid 84 and name HN )) (( segid " " and resid 84 and name HB2 )) 2.400 0.700 0.700 peak 420 spectrum 1 weight 0.10000E+01 volume 0.46442E-02 ppm1 7.748 ppm2 2.123 CV 1 ASSI { 421} (( segid " " and resid 84 and name HN )) (( segid " " and resid 84 and name HG1 )) 3.500 1.500 1.500 peak 421 spectrum 1 weight 0.10000E+01 volume 0.12972E-02 ppm1 7.748 ppm2 2.537 CV 1 ASSI { 428} (( segid " " and resid 84 and name HN )) (( segid " " and resid 83 and name HN )) 2.600 0.800 0.800 peak 428 spectrum 1 weight 0.10000E+01 volume 0.36861E-02 ppm1 7.747 ppm2 7.950 CV 1 ASSI { 429} (( segid " " and resid 84 and name HN )) (( segid " " and resid 85 and name HN )) 2.500 0.800 0.800 peak 429 spectrum 1 weight 0.10000E+01 volume 0.51893E-02 ppm1 7.748 ppm2 7.842 CV 1 ASSI { 431} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HB1 )) 3.500 1.500 1.500 peak 431 spectrum 1 weight 0.10000E+01 volume 0.13884E-02 ppm1 9.556 ppm2 3.582 CV 1 ASSI { 434} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HG1 )) 2.700 0.900 0.900 peak 434 spectrum 1 weight 0.10000E+01 volume 0.32453E-02 ppm1 9.556 ppm2 2.495 CV 1 OR { 434} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HG2 )) ASSI { 435} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HB1 )) 2.900 1.100 1.100 peak 435 spectrum 1 weight 0.10000E+01 volume 0.39576E-02 ppm1 9.556 ppm2 2.253 CV 1 ASSI { 436} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HB2 )) 2.600 0.800 0.800 peak 436 spectrum 1 weight 0.10000E+01 volume 0.40445E-02 ppm1 9.556 ppm2 2.142 CV 1 ASSI { 437} (( segid " " and resid 36 and name HN )) (( segid " " and resid 34 and name HG1 )) 5.100 3.200 0.900 peak 437 spectrum 1 weight 0.10000E+01 volume 0.47311E-03 ppm1 9.557 ppm2 1.944 CV 1 ASSI { 438} (( segid " " and resid 36 and name HN )) (( segid " " and resid 34 and name HB2 )) 3.600 1.600 1.600 peak 438 spectrum 1 weight 0.10000E+01 volume 0.96122E-03 ppm1 9.556 ppm2 1.854 CV 1 ASSI { 439} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HN )) 2.800 1.000 1.000 peak 439 spectrum 1 weight 0.10000E+01 volume 0.19216E-02 ppm1 9.556 ppm2 8.455 CV 1 ASSI { 441} (( segid " " and resid 36 and name HN )) (( segid " " and resid 37 and name HN )) 2.600 0.900 0.900 peak 441 spectrum 1 weight 0.10000E+01 volume 0.26701E-02 ppm1 9.556 ppm2 7.554 CV 1 ASSI { 442} (( segid " " and resid 36 and name HN )) ( segid " " and resid 35 and name HD% ) 4.700 2.800 1.300 peak 442 spectrum 1 weight 0.10000E+01 volume 0.38784E-03 ppm1 9.557 ppm2 7.108 CV 1 ASSI { 447} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HB )) 2.300 0.700 0.700 peak 447 spectrum 1 weight 0.10000E+01 volume 0.39838E-02 ppm1 8.876 ppm2 1.934 CV 1 ASSI { 448} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HG11)) 4.600 2.700 1.400 peak 448 spectrum 1 weight 0.10000E+01 volume 0.80021E-03 ppm1 8.875 ppm2 1.716 CV 1 ASSI { 450} (( segid " " and resid 79 and name HN )) ( segid " " and resid 78 and name HG2%) 3.300 1.400 1.400 peak 450 spectrum 1 weight 0.10000E+01 volume 0.23490E-02 ppm1 8.876 ppm2 0.869 CV 1 ASSI { 452} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HA )) 3.500 1.500 1.500 peak 452 spectrum 1 weight 0.10000E+01 volume 0.97077E-03 ppm1 8.876 ppm2 3.737 CV 1 ASSI { 453} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HB1 )) 3.100 1.200 1.200 peak 453 spectrum 1 weight 0.10000E+01 volume 0.43145E-02 ppm1 8.876 ppm2 3.088 CV 1 ASSI { 454} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HB2 )) 2.500 0.800 0.800 peak 454 spectrum 1 weight 0.10000E+01 volume 0.29572E-02 ppm1 8.876 ppm2 2.768 CV 1 ASSI { 458} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HB2 )) 2.800 1.000 1.000 peak 458 spectrum 1 weight 0.10000E+01 volume 0.14710E-02 ppm1 8.998 ppm2 2.008 CV 1 ASSI { 459} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HB1 )) 2.600 0.800 0.800 peak 459 spectrum 1 weight 0.10000E+01 volume 0.27895E-02 ppm1 8.998 ppm2 1.861 CV 1 ASSI { 462} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HB1 )) 2.700 0.900 0.900 peak 462 spectrum 1 weight 0.10000E+01 volume 0.36945E-02 ppm1 8.693 ppm2 2.774 CV 1 ASSI { 463} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HB1 )) 2.400 0.700 0.700 peak 463 spectrum 1 weight 0.10000E+01 volume 0.34416E-02 ppm1 8.692 ppm2 2.190 CV 1 ASSI { 465} (( segid " " and resid 3 and name HN )) ( segid " " and resid 2 and name HB% ) 3.700 1.800 1.800 peak 465 spectrum 1 weight 0.10000E+01 volume 0.12430E-02 ppm1 8.673 ppm2 1.646 CV 1 ASSI { 466} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HB2 )) 3.600 1.700 1.700 peak 466 spectrum 1 weight 0.10000E+01 volume 0.18647E-02 ppm1 8.692 ppm2 1.545 CV 1 ASSI { 467} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HA )) 2.800 1.000 1.000 peak 467 spectrum 1 weight 0.10000E+01 volume 0.30238E-02 ppm1 8.693 ppm2 4.483 CV 1 ASSI { 468} (( segid " " and resid 3 and name HN )) (( segid " " and resid 3 and name HA )) 3.500 1.500 1.500 peak 468 spectrum 1 weight 0.10000E+01 volume 0.71382E-03 ppm1 8.670 ppm2 4.384 CV 1 ASSI { 469} (( segid " " and resid 3 and name HN )) (( segid " " and resid 2 and name HA )) 2.800 1.000 1.000 peak 469 spectrum 1 weight 0.10000E+01 volume 0.23101E-02 ppm1 8.668 ppm2 4.277 CV 1 ASSI { 470} (( segid " " and resid 3 and name HN )) (( segid " " and resid 3 and name HB )) 3.200 1.300 1.300 peak 470 spectrum 1 weight 0.10000E+01 volume 0.14731E-02 ppm1 8.665 ppm2 4.180 CV 1 ASSI { 474} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HA )) 3.600 1.600 1.600 peak 474 spectrum 1 weight 0.10000E+01 volume 0.60842E-03 ppm1 8.693 ppm2 3.888 CV 1 ASSI { 475} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HA )) 2.600 0.900 0.900 peak 475 spectrum 1 weight 0.10000E+01 volume 0.26575E-02 ppm1 8.877 ppm2 4.905 CV 1 ASSI { 476} (( segid " " and resid 79 and name HN )) (( segid " " and resid 76 and name HA )) 3.200 1.300 1.300 peak 476 spectrum 1 weight 0.10000E+01 volume 0.12835E-02 ppm1 8.876 ppm2 4.485 CV 1 ASSI { 477} (( segid " " and resid 76 and name HN )) (( segid " " and resid 77 and name HN )) 2.500 0.800 0.800 peak 477 spectrum 1 weight 0.10000E+01 volume 0.31906E-02 ppm1 8.693 ppm2 8.002 CV 1 ASSI { 479} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HN )) 2.500 0.800 0.800 peak 479 spectrum 1 weight 0.10000E+01 volume 0.43802E-02 ppm1 8.876 ppm2 8.272 CV 1 ASSI { 482} (( segid " " and resid 76 and name HN )) (( segid " " and resid 72 and name HA )) 3.700 1.700 1.700 peak 482 spectrum 1 weight 0.10000E+01 volume 0.64994E-03 ppm1 8.692 ppm2 3.609 CV 1 ASSI { 487} (( segid " " and resid 72 and name HN )) ( segid " " and resid 31 and name HD2%) 4.400 2.400 1.600 peak 487 spectrum 1 weight 0.10000E+01 volume 0.48697E-03 ppm1 8.999 ppm2 0.777 CV 1 ASSI { 488} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HG12)) 4.600 2.700 1.400 peak 488 spectrum 1 weight 0.10000E+01 volume 0.39654E-03 ppm1 8.875 ppm2 1.282 CV 1 ASSI { 490} (( segid " " and resid 37 and name HN )) (( segid " " and resid 37 and name HB1 )) 2.600 0.800 0.800 peak 490 spectrum 1 weight 0.10000E+01 volume 0.35546E-02 ppm1 7.555 ppm2 3.089 CV 1 ASSI { 492} (( segid " " and resid 37 and name HN )) ( segid " " and resid 38 and name HG2%) 4.200 2.200 1.800 peak 492 spectrum 1 weight 0.10000E+01 volume 0.69053E-03 ppm1 7.556 ppm2 1.058 CV 1 ASSI { 493} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HG2 )) 3.600 1.600 1.600 peak 493 spectrum 1 weight 0.10000E+01 volume 0.12741E-02 ppm1 7.555 ppm2 2.498 CV 1 OR { 493} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HG1 )) ASSI { 494} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HB1 )) 3.800 1.800 1.800 peak 494 spectrum 1 weight 0.10000E+01 volume 0.90065E-03 ppm1 7.555 ppm2 2.250 CV 1 ASSI { 495} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HB2 )) 3.000 1.100 1.100 peak 495 spectrum 1 weight 0.10000E+01 volume 0.16436E-02 ppm1 7.555 ppm2 2.154 CV 1 ASSI { 496} (( segid " " and resid 37 and name HN )) (( segid " " and resid 34 and name HG1 )) 4.600 2.600 1.400 peak 496 spectrum 1 weight 0.10000E+01 volume 0.53530E-03 ppm1 7.554 ppm2 1.941 CV 1 ASSI { 499} (( segid " " and resid 37 and name HN )) (( segid " " and resid 37 and name HA )) 3.100 1.200 1.200 peak 499 spectrum 1 weight 0.10000E+01 volume 0.18026E-02 ppm1 7.555 ppm2 4.808 CV 1 ASSI { 505} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HG1 )) 4.800 2.900 1.200 peak 505 spectrum 1 weight 0.10000E+01 volume 0.38382E-03 ppm1 8.321 ppm2 2.607 CV 1 ASSI { 506} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HG2 )) 4.300 2.300 1.700 peak 506 spectrum 1 weight 0.10000E+01 volume 0.54795E-03 ppm1 8.323 ppm2 2.452 CV 1 ASSI { 508} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HB2 )) 3.600 1.600 1.600 peak 508 spectrum 1 weight 0.10000E+01 volume 0.19992E-02 ppm1 8.322 ppm2 2.200 CV 1 ASSI { 509} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HA )) 2.800 1.000 1.000 peak 509 spectrum 1 weight 0.10000E+01 volume 0.25485E-02 ppm1 8.322 ppm2 3.957 CV 1 ASSI { 510} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HB )) 2.500 0.800 0.800 peak 510 spectrum 1 weight 0.10000E+01 volume 0.37186E-02 ppm1 8.321 ppm2 4.410 CV 1 ASSI { 511} (( segid " " and resid 48 and name HN )) (( segid " " and resid 44 and name HA )) 3.700 1.700 1.700 peak 511 spectrum 1 weight 0.10000E+01 volume 0.98906E-03 ppm1 8.322 ppm2 4.307 CV 1 ASSI { 512} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HA )) 3.300 1.300 1.300 peak 512 spectrum 1 weight 0.10000E+01 volume 0.13384E-02 ppm1 8.321 ppm2 4.230 CV 1 ASSI { 513} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HN )) 2.400 0.700 0.700 peak 513 spectrum 1 weight 0.10000E+01 volume 0.45250E-02 ppm1 8.322 ppm2 8.503 CV 1 ASSI { 514} (( segid " " and resid 48 and name HN )) (( segid " " and resid 49 and name HN )) 2.600 0.900 0.900 peak 514 spectrum 1 weight 0.10000E+01 volume 0.37322E-02 ppm1 8.322 ppm2 8.755 CV 1 ASSI { 516} (( segid " " and resid 64 and name HN )) (( segid " " and resid 61 and name HB2 )) 2.700 0.900 0.900 peak 516 spectrum 1 weight 0.10000E+01 volume 0.15692E-02 ppm1 7.403 ppm2 2.060 CV 1 ASSI { 519} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HB2 )) 2.500 0.800 0.800 peak 519 spectrum 1 weight 0.10000E+01 volume 0.22606E-02 ppm1 7.508 ppm2 1.027 CV 1 ASSI { 525} (( segid " " and resid 31 and name HN )) (( segid " " and resid 29 and name HA )) 4.100 2.100 1.900 peak 525 spectrum 1 weight 0.10000E+01 volume 0.10820E-02 ppm1 7.507 ppm2 4.842 CV 1 ASSI { 527} (( segid " " and resid 64 and name HN )) (( segid " " and resid 65 and name HN )) 2.400 0.700 0.700 peak 527 spectrum 1 weight 0.10000E+01 volume 0.51810E-02 ppm1 7.403 ppm2 8.222 CV 1 ASSI { 529} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HN )) 2.600 0.800 0.800 peak 529 spectrum 1 weight 0.10000E+01 volume 0.33458E-02 ppm1 7.403 ppm2 8.617 CV 1 ASSI { 530} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HB1 )) 3.300 1.400 1.400 peak 530 spectrum 1 weight 0.10000E+01 volume 0.77506E-03 ppm1 7.402 ppm2 2.830 CV 1 ASSI { 531} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HB2 )) 3.800 1.800 1.800 peak 531 spectrum 1 weight 0.10000E+01 volume 0.65190E-03 ppm1 7.405 ppm2 2.733 CV 1 ASSI { 534} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HA )) 3.600 1.600 1.600 peak 534 spectrum 1 weight 0.10000E+01 volume 0.55983E-03 ppm1 7.508 ppm2 4.742 CV 1 ASSI { 536} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HN )) 2.500 0.800 0.800 peak 536 spectrum 1 weight 0.10000E+01 volume 0.42666E-02 ppm1 8.397 ppm2 7.705 CV 1 ASSI { 538} (( segid " " and resid 14 and name HN )) (( segid " " and resid 11 and name HA )) 3.300 1.400 1.400 peak 538 spectrum 1 weight 0.10000E+01 volume 0.85138E-03 ppm1 8.397 ppm2 3.521 CV 1 ASSI { 540} (( segid " " and resid 14 and name HN )) (( segid " " and resid 14 and name HB1 )) 3.100 1.200 1.200 peak 540 spectrum 1 weight 0.10000E+01 volume 0.48038E-02 ppm1 8.397 ppm2 1.984 CV 1 ASSI { 542} (( segid " " and resid 14 and name HN )) ( segid " " and resid 13 and name HB% ) 2.600 0.800 0.800 peak 542 spectrum 1 weight 0.10000E+01 volume 0.35994E-02 ppm1 8.398 ppm2 1.668 CV 1 ASSI { 546} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HG1 )) 2.300 0.700 0.700 peak 546 spectrum 1 weight 0.10000E+01 volume 0.39722E-02 ppm1 8.962 ppm2 2.760 CV 1 ASSI { 547} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HB1 )) 3.500 1.500 1.500 peak 547 spectrum 1 weight 0.10000E+01 volume 0.28434E-02 ppm1 8.961 ppm2 2.505 CV 1 ASSI { 548} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HB2 )) 2.300 0.600 0.600 peak 548 spectrum 1 weight 0.10000E+01 volume 0.47259E-02 ppm1 8.961 ppm2 2.344 CV 1 ASSI { 549} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HB1 )) 3.100 1.200 1.200 peak 549 spectrum 1 weight 0.10000E+01 volume 0.26341E-02 ppm1 8.961 ppm2 2.213 CV 1 ASSI { 550} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HG )) 4.100 2.100 1.900 peak 550 spectrum 1 weight 0.10000E+01 volume 0.84663E-03 ppm1 8.962 ppm2 2.036 CV 1 ASSI { 551} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HB2 )) 2.900 1.000 1.000 peak 551 spectrum 1 weight 0.10000E+01 volume 0.12509E-02 ppm1 8.961 ppm2 1.444 CV 1 ASSI { 554} (( segid " " and resid 53 and name HN )) (( segid " " and resid 49 and name HA )) 3.800 1.800 1.800 peak 554 spectrum 1 weight 0.10000E+01 volume 0.61931E-03 ppm1 8.961 ppm2 3.950 CV 1 ASSI { 556} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HN )) 2.300 0.700 0.700 peak 556 spectrum 1 weight 0.10000E+01 volume 0.40515E-02 ppm1 8.961 ppm2 8.414 CV 1 ASSI { 564} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HB1 )) 2.600 0.900 0.900 peak 564 spectrum 1 weight 0.10000E+01 volume 0.39028E-02 ppm1 7.707 ppm2 2.021 CV 1 OR { 564} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HB2 )) ASSI { 568} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HB1 )) 2.500 0.800 0.800 peak 568 spectrum 1 weight 0.10000E+01 volume 0.46202E-02 ppm1 8.115 ppm2 2.197 CV 1 ASSI { 573} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HB1 )) 2.500 0.800 0.800 peak 573 spectrum 1 weight 0.10000E+01 volume 0.27269E-02 ppm1 8.834 ppm2 2.330 CV 1 ASSI { 574} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HB1 )) 2.200 0.600 0.600 peak 574 spectrum 1 weight 0.10000E+01 volume 0.77929E-02 ppm1 8.834 ppm2 2.043 CV 1 OR { 574} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HB2 )) ASSI { 575} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HG )) 3.600 1.600 1.600 peak 575 spectrum 1 weight 0.10000E+01 volume 0.94495E-03 ppm1 8.834 ppm2 1.894 CV 1 ASSI { 576} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HB2 )) 3.700 1.700 1.700 peak 576 spectrum 1 weight 0.10000E+01 volume 0.17039E-02 ppm1 8.835 ppm2 1.567 CV 1 ASSI { 580} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HN )) 2.500 0.800 0.800 peak 580 spectrum 1 weight 0.10000E+01 volume 0.38566E-02 ppm1 8.834 ppm2 8.068 CV 1 ASSI { 581} (( segid " " and resid 11 and name HN )) (( segid " " and resid 12 and name HN )) 2.700 0.900 0.900 peak 581 spectrum 1 weight 0.10000E+01 volume 0.30290E-02 ppm1 8.835 ppm2 7.975 CV 1 ASSI { 582} (( segid " " and resid 11 and name HN )) ( segid " " and resid 30 and name HE% ) 3.900 1.900 1.900 peak 582 spectrum 1 weight 0.10000E+01 volume 0.94764E-03 ppm1 8.834 ppm2 7.216 CV 1 ASSI { 583} (( segid " " and resid 11 and name HN )) (( segid " " and resid 8 and name HA )) 3.200 1.300 1.300 peak 583 spectrum 1 weight 0.10000E+01 volume 0.17302E-02 ppm1 8.834 ppm2 4.620 CV 1 ASSI { 585} (( segid " " and resid 11 and name HN )) (( segid " " and resid 7 and name HA )) 3.700 1.800 1.800 peak 585 spectrum 1 weight 0.10000E+01 volume 0.56323E-03 ppm1 8.833 ppm2 3.861 CV 1 ASSI { 593} (( segid " " and resid 51 and name HN )) (( segid " " and resid 52 and name HN )) 2.400 0.700 0.700 peak 593 spectrum 1 weight 0.10000E+01 volume 0.38071E-02 ppm1 8.115 ppm2 8.410 CV 1 ASSI { 594} (( segid " " and resid 51 and name HN )) (( segid " " and resid 50 and name HN )) 2.800 1.000 1.000 peak 594 spectrum 1 weight 0.10000E+01 volume 0.21225E-02 ppm1 8.113 ppm2 8.225 CV 1 ASSI { 608} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HA )) 3.100 1.200 1.200 peak 608 spectrum 1 weight 0.10000E+01 volume 0.25657E-02 ppm1 8.220 ppm2 3.939 CV 1 ASSI { 609} (( segid " " and resid 78 and name HN )) (( segid " " and resid 75 and name HA )) 3.400 1.500 1.500 peak 609 spectrum 1 weight 0.10000E+01 volume 0.91836E-03 ppm1 8.270 ppm2 3.893 CV 1 ASSI { 612} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HA )) 2.500 0.800 0.800 peak 612 spectrum 1 weight 0.10000E+01 volume 0.45856E-02 ppm1 8.218 ppm2 4.207 CV 1 ASSI { 618} (( segid " " and resid 8 and name HN )) (( segid " " and resid 6 and name HB )) 3.400 1.500 1.500 peak 618 spectrum 1 weight 0.10000E+01 volume 0.13402E-02 ppm1 8.248 ppm2 4.848 CV 1 ASSI { 619} (( segid " " and resid 82 and name HN )) (( segid " " and resid 81 and name HN )) 2.400 0.700 0.700 peak 619 spectrum 1 weight 0.10000E+01 volume 0.45056E-02 ppm1 8.274 ppm2 7.585 CV 1 ASSI { 621} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HN )) 2.300 0.600 0.600 peak 621 spectrum 1 weight 0.10000E+01 volume 0.48446E-02 ppm1 8.272 ppm2 7.994 CV 1 ASSI { 624} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HA )) 3.500 1.500 1.500 peak 624 spectrum 1 weight 0.10000E+01 volume 0.10288E-02 ppm1 7.886 ppm2 4.617 CV 1 ASSI { 626} (( segid " " and resid 9 and name HN )) (( segid " " and resid 9 and name HB1 )) 3.200 1.300 1.300 peak 626 spectrum 1 weight 0.10000E+01 volume 0.34526E-02 ppm1 7.887 ppm2 3.034 CV 1 ASSI { 638} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HB1 )) 3.200 1.300 1.300 peak 638 spectrum 1 weight 0.10000E+01 volume 0.20240E-02 ppm1 8.452 ppm2 1.985 CV 1 ASSI { 639} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HB2 )) 2.800 1.000 1.000 peak 639 spectrum 1 weight 0.10000E+01 volume 0.15474E-02 ppm1 8.452 ppm2 1.435 CV 1 ASSI { 654} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HA2 )) 2.600 0.900 0.900 peak 654 spectrum 1 weight 0.10000E+01 volume 0.49783E-02 ppm1 8.479 ppm2 4.058 CV 1 OR { 654} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HA1 )) ASSI { 662} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HB1 )) 2.300 0.700 0.700 peak 662 spectrum 1 weight 0.10000E+01 volume 0.41862E-02 ppm1 8.090 ppm2 1.896 CV 1 ASSI { 663} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HB2 )) 2.700 0.900 0.900 peak 663 spectrum 1 weight 0.10000E+01 volume 0.31777E-02 ppm1 8.088 ppm2 1.613 CV 1 ASSI { 664} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HG1 )) 4.200 2.200 1.800 peak 664 spectrum 1 weight 0.10000E+01 volume 0.10954E-02 ppm1 8.088 ppm2 1.365 CV 1 ASSI { 668} (( segid " " and resid 74 and name HN )) (( segid " " and resid 75 and name HN )) 2.500 0.800 0.800 peak 668 spectrum 1 weight 0.10000E+01 volume 0.37820E-02 ppm1 7.712 ppm2 8.725 CV 1 ASSI { 669} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HN )) 2.600 0.800 0.800 peak 669 spectrum 1 weight 0.10000E+01 volume 0.29338E-02 ppm1 7.712 ppm2 7.834 CV 1 ASSI { 671} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HN )) 2.800 0.900 0.900 peak 671 spectrum 1 weight 0.10000E+01 volume 0.25642E-02 ppm1 7.887 ppm2 8.245 CV 1 ASSI { 672} (( segid " " and resid 9 and name HN )) (( segid " " and resid 6 and name HN )) 3.200 1.300 1.300 peak 672 spectrum 1 weight 0.10000E+01 volume 0.10117E-02 ppm1 7.887 ppm2 9.031 CV 1 ASSI { 679} (( segid " " and resid 74 and name HN )) ( segid " " and resid 74 and name HD1%) 4.200 2.200 1.800 peak 679 spectrum 1 weight 0.10000E+01 volume 0.10855E-02 ppm1 7.713 ppm2 1.053 CV 1 OR { 679} (( segid " " and resid 74 and name HN )) ( segid " " and resid 74 and name HD2%) ASSI { 684} (( segid " " and resid 69 and name HN )) ( segid " " and resid 68 and name HG2%) 4.300 2.300 1.700 peak 684 spectrum 1 weight 0.10000E+01 volume 0.84049E-03 ppm1 9.094 ppm2 1.212 CV 1 ASSI { 693} (( segid " " and resid 75 and name HN )) (( segid " " and resid 72 and name HA )) 3.300 1.400 1.400 peak 693 spectrum 1 weight 0.10000E+01 volume 0.83057E-03 ppm1 8.729 ppm2 3.608 CV 1 ASSI { 699} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HB1 )) 2.500 0.800 0.800 peak 699 spectrum 1 weight 0.10000E+01 volume 0.32466E-02 ppm1 8.728 ppm2 2.189 CV 1 ASSI { 716} (( segid " " and resid 45 and name HN )) (( segid " " and resid 44 and name HN )) 2.400 0.700 0.700 peak 716 spectrum 1 weight 0.10000E+01 volume 0.42701E-02 ppm1 8.460 ppm2 8.157 CV 1 ASSI { 718} (( segid " " and resid 45 and name HN )) ( segid " " and resid 40 and name HD% ) 4.300 2.300 1.700 peak 718 spectrum 1 weight 0.10000E+01 volume 0.52771E-03 ppm1 8.461 ppm2 6.964 CV 1 ASSI { 719} (( segid " " and resid 45 and name HN )) (( segid " " and resid 46 and name HN )) 2.500 0.800 0.800 peak 719 spectrum 1 weight 0.10000E+01 volume 0.34850E-02 ppm1 8.460 ppm2 8.229 CV 1 ASSI { 720} (( segid " " and resid 10 and name HN )) (( segid " " and resid 9 and name HN )) 2.600 0.800 0.800 peak 720 spectrum 1 weight 0.10000E+01 volume 0.38817E-02 ppm1 8.067 ppm2 7.888 CV 1 ASSI { 721} (( segid " " and resid 83 and name HN )) (( segid " " and resid 82 and name HN )) 2.400 0.700 0.700 peak 721 spectrum 1 weight 0.10000E+01 volume 0.47438E-02 ppm1 7.955 ppm2 8.274 CV 1 ASSI { 731} (( segid " " and resid 83 and name HN )) (( segid " " and resid 82 and name HB1 )) 3.500 1.500 1.500 peak 731 spectrum 1 weight 0.10000E+01 volume 0.20685E-02 ppm1 7.955 ppm2 2.005 CV 1 ASSI { 735} (( segid " " and resid 10 and name HN )) ( segid " " and resid 75 and name HD1%) 3.500 1.500 1.500 peak 735 spectrum 1 weight 0.10000E+01 volume 0.94423E-03 ppm1 8.067 ppm2 0.788 CV 1 ASSI { 741} (( segid " " and resid 10 and name HN )) (( segid " " and resid 9 and name HA )) 3.200 1.300 1.300 peak 741 spectrum 1 weight 0.10000E+01 volume 0.16759E-02 ppm1 8.064 ppm2 4.553 CV 1 ASSI { 747} (( segid " " and resid 40 and name HN )) (( segid " " and resid 38 and name HG11)) 2.800 0.900 0.900 peak 747 spectrum 1 weight 0.10000E+01 volume 0.14144E-02 ppm1 8.061 ppm2 1.825 CV 1 ASSI { 748} (( segid " " and resid 30 and name HN )) (( segid " " and resid 31 and name HN )) 2.100 0.600 0.600 peak 748 spectrum 1 weight 0.10000E+01 volume 0.58188E-02 ppm1 8.038 ppm2 7.508 CV 1 ASSI { 751} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HA )) 2.200 0.600 0.600 peak 751 spectrum 1 weight 0.10000E+01 volume 0.63186E-02 ppm1 8.038 ppm2 4.843 CV 1 ASSI { 752} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HA )) 2.900 1.100 1.100 peak 752 spectrum 1 weight 0.10000E+01 volume 0.15917E-02 ppm1 8.039 ppm2 4.744 CV 1 ASSI { 753} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HA )) 3.200 1.300 1.300 peak 753 spectrum 1 weight 0.10000E+01 volume 0.16339E-02 ppm1 8.488 ppm2 4.720 CV 1 ASSI { 757} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HB2 )) 2.700 0.900 0.900 peak 757 spectrum 1 weight 0.10000E+01 volume 0.46746E-02 ppm1 8.489 ppm2 2.833 CV 1 OR { 757} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HB1 )) ASSI { 758} (( segid " " and resid 22 and name HN )) ( segid " " and resid 21 and name HG2%) 3.800 1.800 1.800 peak 758 spectrum 1 weight 0.10000E+01 volume 0.97387E-03 ppm1 8.491 ppm2 1.242 CV 1 ASSI { 759} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HA )) 3.400 1.400 1.400 peak 759 spectrum 1 weight 0.10000E+01 volume 0.12782E-02 ppm1 7.208 ppm2 5.045 CV 1 ASSI { 760} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HA )) 2.800 1.000 1.000 peak 760 spectrum 1 weight 0.10000E+01 volume 0.25082E-02 ppm1 7.209 ppm2 4.313 CV 1 ASSI { 761} (( segid " " and resid 33 and name HN )) (( segid " " and resid 71 and name HD1 )) 3.600 1.600 1.600 peak 761 spectrum 1 weight 0.10000E+01 volume 0.94501E-03 ppm1 7.208 ppm2 4.030 CV 1 ASSI { 762} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HG )) 2.100 0.600 0.600 peak 762 spectrum 1 weight 0.10000E+01 volume 0.82505E-02 ppm1 7.209 ppm2 1.773 CV 1 OR { 762} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HB1 )) ASSI { 763} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HB2 )) 2.700 0.900 0.900 peak 763 spectrum 1 weight 0.10000E+01 volume 0.22844E-02 ppm1 7.209 ppm2 1.408 CV 1 ASSI { 766} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HN )) 2.400 0.700 0.700 peak 766 spectrum 1 weight 0.10000E+01 volume 0.49062E-02 ppm1 7.209 ppm2 8.048 CV 1 ASSI { 767} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HN )) 3.300 1.400 1.400 peak 767 spectrum 1 weight 0.10000E+01 volume 0.13594E-02 ppm1 8.490 ppm2 8.239 CV 1 ASSI { 774} (( segid " " and resid 33 and name HN )) (( segid " " and resid 71 and name HD2 )) 3.800 1.800 1.800 peak 774 spectrum 1 weight 0.10000E+01 volume 0.30200E-03 ppm1 7.208 ppm2 2.807 CV 1 ASSI { 777} (( segid " " and resid 33 and name HN )) (( segid " " and resid 30 and name HA )) 3.800 1.800 1.800 peak 777 spectrum 1 weight 0.10000E+01 volume 0.64828E-03 ppm1 7.209 ppm2 4.735 CV 1 ASSI { 778} (( segid " " and resid 33 and name HN )) (( segid " " and resid 70 and name HB )) 4.200 2.200 1.800 peak 778 spectrum 1 weight 0.10000E+01 volume 0.33826E-03 ppm1 7.210 ppm2 4.631 CV 1 ASSI { 779} (( segid " " and resid 33 and name HN )) (( segid " " and resid 34 and name HN )) 4.500 2.500 1.500 peak 779 spectrum 1 weight 0.10000E+01 volume 0.59866E-03 ppm1 7.210 ppm2 8.455 CV 1 ASSI { 785} (( segid " " and resid 65 and name HN )) ( segid " " and resid 65 and name HB% ) 2.200 0.600 0.600 peak 785 spectrum 1 weight 0.10000E+01 volume 0.74594E-02 ppm1 8.219 ppm2 1.391 CV 1 ASSI { 788} (( segid " " and resid 65 and name HN )) (( segid " " and resid 62 and name HA )) 3.600 1.600 1.600 peak 788 spectrum 1 weight 0.10000E+01 volume 0.64245E-03 ppm1 8.221 ppm2 4.447 CV 1 ASSI { 791} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HB1 )) 3.200 1.200 1.200 peak 791 spectrum 1 weight 0.10000E+01 volume 0.42088E-02 ppm1 8.003 ppm2 2.030 CV 1 ASSI { 793} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HG )) 2.500 0.800 0.800 peak 793 spectrum 1 weight 0.10000E+01 volume 0.21936E-02 ppm1 8.003 ppm2 1.818 CV 1 ASSI { 796} (( segid " " and resid 77 and name HN )) (( segid " " and resid 76 and name HB1 )) 2.900 1.000 1.000 peak 796 spectrum 1 weight 0.10000E+01 volume 0.17656E-02 ppm1 8.003 ppm2 2.772 CV 1 ASSI { 797} (( segid " " and resid 77 and name HN )) (( segid " " and resid 76 and name HA )) 3.400 1.400 1.400 peak 797 spectrum 1 weight 0.10000E+01 volume 0.10905E-02 ppm1 8.003 ppm2 4.483 CV 1 ASSI { 800} (( segid " " and resid 29 and name HN )) (( segid " " and resid 30 and name HN )) 4.100 2.100 1.900 peak 800 spectrum 1 weight 0.10000E+01 volume 0.70163E-03 ppm1 8.665 ppm2 8.040 CV 1 ASSI { 802} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HN )) 2.400 0.700 0.700 peak 802 spectrum 1 weight 0.10000E+01 volume 0.51161E-02 ppm1 8.157 ppm2 7.787 CV 1 ASSI { 803} (( segid " " and resid 18 and name HN )) (( segid " " and resid 19 and name HN )) 2.700 0.900 0.900 peak 803 spectrum 1 weight 0.10000E+01 volume 0.33040E-02 ppm1 7.830 ppm2 8.238 CV 1 ASSI { 804} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HA1 )) 2.700 0.900 0.900 peak 804 spectrum 1 weight 0.10000E+01 volume 0.34322E-02 ppm1 8.666 ppm2 4.255 CV 1 ASSI { 806} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HB1 )) 3.600 1.600 1.600 peak 806 spectrum 1 weight 0.10000E+01 volume 0.17056E-02 ppm1 8.458 ppm2 3.582 CV 1 ASSI { 808} (( segid " " and resid 29 and name HN )) (( segid " " and resid 29 and name HB1 )) 3.100 1.200 1.200 peak 808 spectrum 1 weight 0.10000E+01 volume 0.28948E-02 ppm1 8.665 ppm2 2.888 CV 1 ASSI { 811} (( segid " " and resid 29 and name HN )) (( segid " " and resid 29 and name HB2 )) 2.800 1.000 1.000 peak 811 spectrum 1 weight 0.10000E+01 volume 0.40095E-02 ppm1 8.665 ppm2 2.664 CV 1 ASSI { 813} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HB1 )) 2.900 1.000 1.000 peak 813 spectrum 1 weight 0.10000E+01 volume 0.14047E-02 ppm1 8.459 ppm2 2.172 CV 1 ASSI { 814} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HB2 )) 3.500 1.600 1.600 peak 814 spectrum 1 weight 0.10000E+01 volume 0.10877E-02 ppm1 8.820 ppm2 2.065 CV 1 ASSI { 817} (( segid " " and resid 35 and name HN )) (( segid " " and resid 70 and name HA )) 3.400 1.400 1.400 peak 817 spectrum 1 weight 0.10000E+01 volume 0.10642E-02 ppm1 8.457 ppm2 4.949 CV 1 ASSI { 818} (( segid " " and resid 29 and name HN )) (( segid " " and resid 29 and name HA )) 3.000 1.100 1.100 peak 818 spectrum 1 weight 0.10000E+01 volume 0.19066E-02 ppm1 8.665 ppm2 4.842 CV 1 ASSI { 821} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HB2 )) 2.500 0.800 0.800 peak 821 spectrum 1 weight 0.10000E+01 volume 0.31786E-02 ppm1 8.158 ppm2 1.844 CV 1 ASSI { 823} (( segid " " and resid 18 and name HN )) ( segid " " and resid 18 and name HB% ) 2.300 0.700 0.700 peak 823 spectrum 1 weight 0.10000E+01 volume 0.81555E-02 ppm1 7.830 ppm2 1.539 CV 1 ASSI { 824} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HA )) 3.100 1.200 1.200 peak 824 spectrum 1 weight 0.10000E+01 volume 0.19519E-02 ppm1 7.830 ppm2 4.562 CV 1 ASSI { 825} (( segid " " and resid 18 and name HN )) (( segid " " and resid 18 and name HA )) 2.700 0.900 0.900 peak 825 spectrum 1 weight 0.10000E+01 volume 0.37110E-02 ppm1 7.830 ppm2 4.369 CV 1 ASSI { 826} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HB1 )) 3.300 1.300 1.300 peak 826 spectrum 1 weight 0.10000E+01 volume 0.10224E-02 ppm1 7.832 ppm2 4.141 CV 1 ASSI { 828} (( segid " " and resid 18 and name HN )) (( segid " " and resid 15 and name HA )) 3.400 1.400 1.400 peak 828 spectrum 1 weight 0.10000E+01 volume 0.99892E-03 ppm1 7.830 ppm2 3.942 CV 1 ASSI { 831} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HN )) 3.700 1.700 1.700 peak 831 spectrum 1 weight 0.10000E+01 volume 0.10318E-02 ppm1 8.665 ppm2 8.566 CV 1 ASSI { 837} (( segid " " and resid 35 and name HN )) ( segid " " and resid 38 and name HD1%) 5.100 3.300 0.900 peak 837 spectrum 1 weight 0.10000E+01 volume 0.30251E-03 ppm1 8.457 ppm2 0.880 CV 1 ASSI { 838} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HG1 )) 5.200 3.400 0.800 peak 838 spectrum 1 weight 0.10000E+01 volume 0.40724E-03 ppm1 8.457 ppm2 1.939 CV 1 ASSI { 840} (( segid " " and resid 35 and name HN )) (( segid " " and resid 71 and name HD2 )) 5.100 3.200 0.900 peak 840 spectrum 1 weight 0.10000E+01 volume 0.38624E-03 ppm1 8.453 ppm2 2.811 CV 1 ASSI { 841} (( segid " " and resid 35 and name HN )) (( segid " " and resid 69 and name HA )) 3.900 1.900 1.900 peak 841 spectrum 1 weight 0.10000E+01 volume 0.48031E-03 ppm1 8.458 ppm2 5.268 CV 1 ASSI { 844} (( segid " " and resid 44 and name HN )) (( segid " " and resid 40 and name HA )) 4.800 2.800 1.200 peak 844 spectrum 1 weight 0.10000E+01 volume 0.31507E-03 ppm1 8.156 ppm2 4.578 CV 1 ASSI { 854} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HB1 )) 3.600 1.700 1.700 peak 854 spectrum 1 weight 0.10000E+01 volume 0.62804E-03 ppm1 7.977 ppm2 3.013 CV 1 ASSI { 863} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HN )) 3.400 1.500 1.500 peak 863 spectrum 1 weight 0.10000E+01 volume 0.20825E-02 ppm1 8.462 ppm2 8.603 CV 1 ASSI { 865} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HA )) 2.300 0.700 0.700 peak 865 spectrum 1 weight 0.10000E+01 volume 0.67746E-02 ppm1 8.461 ppm2 4.709 CV 1 ASSI { 870} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HB1 )) 2.900 1.000 1.000 peak 870 spectrum 1 weight 0.10000E+01 volume 0.33980E-02 ppm1 8.606 ppm2 2.879 CV 1 ASSI { 871} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HB2 )) 2.900 1.000 1.000 peak 871 spectrum 1 weight 0.10000E+01 volume 0.32444E-02 ppm1 8.606 ppm2 2.757 CV 1 ASSI { 875} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HG )) 3.300 1.300 1.300 peak 875 spectrum 1 weight 0.10000E+01 volume 0.26193E-02 ppm1 8.461 ppm2 1.573 CV 1 ASSI { 877} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HB1 )) 2.800 1.000 1.000 peak 877 spectrum 1 weight 0.10000E+01 volume 0.34605E-02 ppm1 8.461 ppm2 1.450 CV 1 ASSI { 879} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HB2 )) 2.800 1.000 1.000 peak 879 spectrum 1 weight 0.10000E+01 volume 0.19513E-02 ppm1 8.460 ppm2 1.240 CV 1 ASSI { 884} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HB1 )) 4.400 2.400 1.600 peak 884 spectrum 1 weight 0.10000E+01 volume 0.76406E-03 ppm1 8.461 ppm2 2.874 CV 1 ASSI { 891} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HG )) 2.500 0.800 0.800 peak 891 spectrum 1 weight 0.10000E+01 volume 0.24363E-02 ppm1 7.788 ppm2 1.735 CV 1 ASSI { 899} (( segid " " and resid 81 and name HN )) ( segid " " and resid 82 and name HD1%) 4.000 2.000 2.000 peak 899 spectrum 1 weight 0.10000E+01 volume 0.10423E-02 ppm1 7.585 ppm2 0.970 CV 1 OR { 899} (( segid " " and resid 81 and name HN )) ( segid " " and resid 82 and name HD2%) ASSI { 901} (( segid " " and resid 43 and name HN )) ( segid " " and resid 43 and name HD2%) 3.900 1.900 1.900 peak 901 spectrum 1 weight 0.10000E+01 volume 0.96959E-03 ppm1 7.786 ppm2 1.049 CV 1 ASSI { 906} (( segid " " and resid 43 and name HN )) (( segid " " and resid 41 and name HB1 )) 4.100 2.100 1.900 peak 906 spectrum 1 weight 0.10000E+01 volume 0.74547E-03 ppm1 7.787 ppm2 3.291 CV 1 ASSI { 907} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name H28A)) 3.300 3.300 2.700 peak 907 spectrum 1 weight 0.10000E+01 volume 0.39874E-03 ppm1 7.789 ppm2 3.466 CV 1 ASSI { 915} (( segid " " and resid 81 and name HN )) (( segid " " and resid 79 and name HA )) 3.900 1.900 1.900 peak 915 spectrum 1 weight 0.10000E+01 volume 0.51440E-03 ppm1 7.585 ppm2 4.903 CV 1 ASSI { 919} (( segid " " and resid 4 and name HN )) (( segid " " and resid 4 and name HB1 )) 3.200 1.300 1.300 peak 919 spectrum 1 weight 0.10000E+01 volume 0.49652E-02 ppm1 8.146 ppm2 1.606 CV 1 ASSI { 920} (( segid " " and resid 4 and name HN )) (( segid " " and resid 4 and name HB2 )) 2.600 0.900 0.900 peak 920 spectrum 1 weight 0.10000E+01 volume 0.25071E-02 ppm1 8.145 ppm2 1.478 CV 1 ASSI { 921} (( segid " " and resid 4 and name HN )) ( segid " " and resid 3 and name HG2%) 3.700 1.700 1.700 peak 921 spectrum 1 weight 0.10000E+01 volume 0.23731E-02 ppm1 8.146 ppm2 1.377 CV 1 ASSI { 923} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HG )) 2.200 0.600 0.600 peak 923 spectrum 1 weight 0.10000E+01 volume 0.46151E-02 ppm1 9.427 ppm2 1.576 CV 1 OR { 923} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HB1 )) ASSI { 924} (( segid " " and resid 5 and name HN )) (( segid " " and resid 4 and name HB2 )) 3.400 1.400 1.400 peak 924 spectrum 1 weight 0.10000E+01 volume 0.26097E-02 ppm1 9.427 ppm2 1.474 CV 1 ASSI { 925} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HB2 )) 2.400 0.700 0.700 peak 925 spectrum 1 weight 0.10000E+01 volume 0.34922E-02 ppm1 9.428 ppm2 1.359 CV 1 ASSI { 930} (( segid " " and resid 4 and name HN )) (( segid " " and resid 3 and name HB )) 3.800 1.800 1.800 peak 930 spectrum 1 weight 0.10000E+01 volume 0.13990E-02 ppm1 8.146 ppm2 4.182 CV 1 ASSI { 933} (( segid " " and resid 4 and name HN )) (( segid " " and resid 5 and name HN )) 3.900 1.900 1.900 peak 933 spectrum 1 weight 0.10000E+01 volume 0.88211E-03 ppm1 8.146 ppm2 9.426 CV 1 ASSI { 936} (( segid " " and resid 5 and name HN )) (( segid " " and resid 79 and name HD21)) 3.000 1.100 1.100 peak 936 spectrum 1 weight 0.10000E+01 volume 0.19548E-02 ppm1 9.428 ppm2 7.332 CV 1 ASSI { 937} (( segid " " and resid 5 and name HN )) (( segid " " and resid 79 and name HA )) 4.500 2.500 1.500 peak 937 spectrum 1 weight 0.10000E+01 volume 0.28420E-03 ppm1 9.429 ppm2 4.900 CV 1 ASSI { 941} (( segid " " and resid 5 and name HN )) (( segid " " and resid 9 and name HB1 )) 6.000 5.800 0.000 peak 941 spectrum 1 weight 0.10000E+01 volume 0.14021E-03 ppm1 9.427 ppm2 3.046 CV 1 ASSI { 942} (( segid " " and resid 5 and name HN )) (( segid " " and resid 79 and name HB2 )) 5.700 4.100 0.300 peak 942 spectrum 1 weight 0.10000E+01 volume 0.17752E-03 ppm1 9.427 ppm2 2.775 CV 1 ASSI { 948} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HB )) 2.600 0.800 0.800 peak 948 spectrum 1 weight 0.10000E+01 volume 0.30748E-02 ppm1 8.174 ppm2 1.785 CV 1 ASSI { 949} (( segid " " and resid 60 and name HN )) (( segid " " and resid 53 and name HG2 )) 3.400 1.400 1.400 peak 949 spectrum 1 weight 0.10000E+01 volume 0.74237E-03 ppm1 8.175 ppm2 2.318 CV 1 ASSI { 950} (( segid " " and resid 60 and name HN )) (( segid " " and resid 53 and name HG1 )) 4.400 2.500 1.600 peak 950 spectrum 1 weight 0.10000E+01 volume 0.37067E-03 ppm1 8.177 ppm2 2.761 CV 1 ASSI { 952} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HA )) 2.200 0.600 0.600 peak 952 spectrum 1 weight 0.10000E+01 volume 0.78260E-02 ppm1 8.174 ppm2 4.835 CV 1 ASSI { 954} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HA )) 2.900 1.000 1.000 peak 954 spectrum 1 weight 0.10000E+01 volume 0.17439E-02 ppm1 8.172 ppm2 4.659 CV 1 ASSI { 955} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HN )) 4.300 2.300 1.700 peak 955 spectrum 1 weight 0.10000E+01 volume 0.50888E-03 ppm1 8.178 ppm2 8.483 CV 1 ASSI { 965} (( segid " " and resid 72 and name HE )) (( segid " " and resid 72 and name HB1 )) 3.400 1.400 1.400 peak 965 spectrum 1 weight 0.10000E+01 volume 0.96210E-03 ppm1 9.070 ppm2 1.860 CV 1 ASSI { 968} (( segid " " and resid 72 and name HE )) (( segid " " and resid 72 and name HH22)) 2.800 1.000 1.000 peak 968 spectrum 1 weight 0.10000E+01 volume 0.28443E-02 ppm1 9.071 ppm2 6.891 CV 1 OR { 968} (( segid " " and resid 72 and name HE )) (( segid " " and resid 72 and name HH21)) OR { 968} (( segid " " and resid 72 and name HE )) (( segid " " and resid 72 and name HH11)) OR { 968} (( segid " " and resid 72 and name HE )) (( segid " " and resid 72 and name HH12)) ASSI { 969} (( segid " " and resid 11 and name HE )) (( segid " " and resid 11 and name HG2 )) 3.500 1.500 1.500 peak 969 spectrum 1 weight 0.10000E+01 volume 0.73055E-03 ppm1 7.323 ppm2 1.171 CV 1 ASSI { 970} (( segid " " and resid 11 and name HE )) (( segid " " and resid 11 and name HB1 )) 3.700 1.700 1.700 peak 970 spectrum 1 weight 0.10000E+01 volume 0.88510E-03 ppm1 7.323 ppm2 2.044 CV 1 OR { 970} (( segid " " and resid 11 and name HE )) (( segid " " and resid 11 and name HB2 )) ASSI { 971} (( segid " " and resid 11 and name HE )) (( segid " " and resid 11 and name HD2 )) 2.800 1.000 1.000 peak 971 spectrum 1 weight 0.10000E+01 volume 0.23189E-02 ppm1 7.323 ppm2 3.199 CV 1 OR { 971} (( segid " " and resid 11 and name HE )) (( segid " " and resid 11 and name HD1 )) ASSI { 972} (( segid " " and resid 11 and name HE )) (( segid " " and resid 27 and name HA )) 3.500 1.500 1.500 peak 972 spectrum 1 weight 0.10000E+01 volume 0.63863E-03 ppm1 7.323 ppm2 4.303 CV 1 ASSI { 973} (( segid " " and resid 11 and name HE )) (( segid " " and resid 11 and name HG1 )) 3.600 1.600 1.600 peak 973 spectrum 1 weight 0.10000E+01 volume 0.47700E-03 ppm1 7.323 ppm2 1.416 CV 1 ASSI { 978} (( segid " " and resid 79 and name HD21)) (( segid " " and resid 75 and name HG )) 3.600 1.600 1.600 peak 978 spectrum 1 weight 0.10000E+01 volume 0.12564E-02 ppm1 7.331 ppm2 1.690 CV 1 ASSI { 979} (( segid " " and resid 79 and name HD21)) (( segid " " and resid 5 and name HG )) 3.900 1.900 1.900 peak 979 spectrum 1 weight 0.10000E+01 volume 0.13041E-02 ppm1 7.330 ppm2 1.578 CV 1 OR { 979} (( segid " " and resid 79 and name HD21)) (( segid " " and resid 5 and name HB1 )) ASSI { 980} (( segid " " and resid 79 and name HD21)) (( segid " " and resid 4 and name HB2 )) 4.300 2.300 1.700 peak 980 spectrum 1 weight 0.10000E+01 volume 0.89781E-03 ppm1 7.330 ppm2 1.474 CV 1 ASSI { 981} (( segid " " and resid 79 and name HD21)) (( segid " " and resid 79 and name HB1 )) 3.000 1.100 1.100 peak 981 spectrum 1 weight 0.10000E+01 volume 0.13799E-02 ppm1 7.329 ppm2 3.089 CV 1 ASSI { 982} (( segid " " and resid 79 and name HD21)) (( segid " " and resid 79 and name HB2 )) 3.200 1.300 1.300 peak 982 spectrum 1 weight 0.10000E+01 volume 0.11487E-02 ppm1 7.331 ppm2 2.768 CV 1 ASSI { 985} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HG12)) 3.100 1.200 1.200 peak 985 spectrum 1 weight 0.10000E+01 volume 0.12551E-02 ppm1 8.174 ppm2 1.110 CV 1 ASSI { 986} (( segid " " and resid 60 and name HN )) ( segid " " and resid 60 and name HG2%) 4.100 2.100 1.900 peak 986 spectrum 1 weight 0.10000E+01 volume 0.10310E-02 ppm1 8.174 ppm2 1.021 CV 1 ASSI { 987} (( segid " " and resid 60 and name HN )) ( segid " " and resid 60 and name HD1%) 3.600 1.700 1.700 peak 987 spectrum 1 weight 0.10000E+01 volume 0.83636E-03 ppm1 8.173 ppm2 0.845 CV 1 ASSI { 988} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HG11)) 3.700 1.700 1.700 peak 988 spectrum 1 weight 0.10000E+01 volume 0.13678E-02 ppm1 8.174 ppm2 1.482 CV 1 ASSI { 989} (( segid " " and resid 4 and name HN )) ( segid " " and resid 4 and name HD2%) 3.700 1.800 1.800 peak 989 spectrum 1 weight 0.10000E+01 volume 0.14101E-02 ppm1 8.146 ppm2 0.964 CV 1 ASSI { 990} (( segid " " and resid 4 and name HN )) ( segid " " and resid 4 and name HD1%) 4.300 2.300 1.700 peak 990 spectrum 1 weight 0.10000E+01 volume 0.11745E-02 ppm1 8.146 ppm2 0.876 CV 1 ASSI { 991} (( segid " " and resid 26 and name HN )) ( segid " " and resid 26 and name HD2%) 4.100 2.100 1.900 peak 991 spectrum 1 weight 0.10000E+01 volume 0.84937E-03 ppm1 8.460 ppm2 0.797 CV 1 ASSI { 993} (( segid " " and resid 26 and name HN )) ( segid " " and resid 26 and name HD1%) 4.000 2.000 2.000 peak 993 spectrum 1 weight 0.10000E+01 volume 0.12563E-02 ppm1 8.461 ppm2 0.693 CV 1 ASSI { 995} (( segid " " and resid 35 and name HN )) ( segid " " and resid 35 and name HD% ) 2.800 1.000 1.000 peak 995 spectrum 1 weight 0.10000E+01 volume 0.15702E-02 ppm1 8.457 ppm2 7.115 CV 1 ASSI { 997} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HB1 )) 4.100 2.100 1.900 peak 997 spectrum 1 weight 0.10000E+01 volume 0.62639E-03 ppm1 8.036 ppm2 2.896 CV 1 ASSI { 998} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HB2 )) 4.800 2.800 1.200 peak 998 spectrum 1 weight 0.10000E+01 volume 0.46391E-03 ppm1 8.037 ppm2 2.663 CV 1 ASSI { 999} (( segid " " and resid 30 and name HN )) (( segid " " and resid 31 and name HG )) 4.400 2.400 1.600 peak 999 spectrum 1 weight 0.10000E+01 volume 0.59071E-03 ppm1 8.039 ppm2 1.198 CV 1 ASSI { 1000} (( segid " " and resid 30 and name HN )) (( segid " " and resid 31 and name HB2 )) 4.700 2.800 1.300 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.54562E-03 ppm1 8.036 ppm2 1.050 CV 1 ASSI { 1001} (( segid " " and resid 30 and name HN )) (( segid " " and resid 31 and name HB1 )) 5.700 4.100 0.300 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.47188E-03 ppm1 8.037 ppm2 1.632 CV 1 ASSI { 1002} (( segid " " and resid 30 and name HN )) ( segid " " and resid 30 and name HD% ) 2.300 0.700 0.700 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.50997E-02 ppm1 8.039 ppm2 7.305 CV 1 ASSI { 1003} (( segid " " and resid 33 and name HN )) ( segid " " and resid 33 and name HD2%) 3.300 1.300 1.300 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.23203E-02 ppm1 7.209 ppm2 1.058 CV 1 ASSI { 1005} (( segid " " and resid 33 and name HN )) ( segid " " and resid 33 and name HD1%) 3.900 1.900 1.900 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.20480E-02 ppm1 7.208 ppm2 0.955 CV 1 ASSI { 1006} (( segid " " and resid 45 and name HN )) ( segid " " and resid 45 and name HD2%) 4.400 2.400 1.600 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.84715E-03 ppm1 8.460 ppm2 0.347 CV 1 ASSI { 1007} (( segid " " and resid 45 and name HN )) ( segid " " and resid 45 and name HD1%) 4.600 2.700 1.400 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.86729E-03 ppm1 8.461 ppm2 0.233 CV 1 ASSI { 1009} (( segid " " and resid 40 and name HN )) ( segid " " and resid 40 and name HD% ) 2.700 0.900 0.900 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.19450E-02 ppm1 8.060 ppm2 6.971 CV 1 ASSI { 1013} (( segid " " and resid 52 and name HN )) ( segid " " and resid 52 and name HD2%) 3.600 1.600 1.600 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.13455E-02 ppm1 8.415 ppm2 1.036 CV 1 ASSI { 1015} (( segid " " and resid 48 and name HN )) ( segid " " and resid 48 and name HG2%) 3.900 1.900 1.900 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.15035E-02 ppm1 8.322 ppm2 1.124 CV 1 ASSI { 1016} (( segid " " and resid 48 and name HN )) ( segid " " and resid 49 and name HB% ) 3.800 1.800 1.800 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.11352E-02 ppm1 8.321 ppm2 1.523 CV 1 ASSI { 1017} (( segid " " and resid 31 and name HN )) ( segid " " and resid 31 and name HD2%) 3.700 1.700 1.700 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.13405E-02 ppm1 7.507 ppm2 0.782 CV 1 ASSI { 1018} (( segid " " and resid 31 and name HN )) ( segid " " and resid 31 and name HD1%) 3.000 1.100 1.100 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.14718E-02 ppm1 7.507 ppm2 0.457 CV 1 ASSI { 1020} (( segid " " and resid 64 and name HN )) ( segid " " and resid 65 and name HB% ) 4.300 2.300 1.700 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.75962E-03 ppm1 7.403 ppm2 1.389 CV 1 ASSI { 1022} (( segid " " and resid 79 and name HN )) (( segid " " and resid 80 and name HA1 )) 4.700 2.700 1.300 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.70922E-03 ppm1 8.877 ppm2 4.015 CV 1 OR { 1022} (( segid " " and resid 79 and name HN )) (( segid " " and resid 80 and name HA2 )) ASSI { 1023} (( segid " " and resid 79 and name HN )) (( segid " " and resid 75 and name HA )) 3.900 1.900 1.900 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.61203E-03 ppm1 8.875 ppm2 3.891 CV 1 ASSI { 1028} (( segid " " and resid 55 and name HE )) (( segid " " and resid 55 and name HG1 )) 3.800 1.800 1.800 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.42882E-03 ppm1 7.183 ppm2 1.359 CV 1 ASSI { 1029} (( segid " " and resid 55 and name HE )) (( segid " " and resid 55 and name HD1 )) 3.600 1.600 1.600 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.56566E-03 ppm1 7.183 ppm2 3.093 CV 1 ASSI { 1031} (( segid " " and resid 55 and name HE )) (( segid " " and resid 55 and name HB1 )) 4.700 2.700 1.300 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.27571E-03 ppm1 7.186 ppm2 1.900 CV 1 ASSI { 1035} (( segid " " and resid 51 and name HE )) (( segid " " and resid 51 and name HG2 )) 3.900 1.900 1.900 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.29487E-03 ppm1 7.557 ppm2 1.733 CV 1 ASSI { 1036} (( segid " " and resid 34 and name HE )) (( segid " " and resid 36 and name HG2 )) 4.600 2.700 1.400 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.21143E-03 ppm1 7.995 ppm2 2.495 CV 1 OR { 1036} (( segid " " and resid 34 and name HE )) (( segid " " and resid 36 and name HG1 )) ASSI { 1038} (( segid " " and resid 34 and name HE )) (( segid " " and resid 34 and name HG1 )) 4.000 2.000 2.000 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.44578E-03 ppm1 7.994 ppm2 1.937 CV 1 ASSI { 1039} (( segid " " and resid 34 and name HE )) (( segid " " and resid 34 and name HB2 )) 3.900 1.900 1.900 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.32555E-03 ppm1 7.994 ppm2 1.857 CV 1 ASSI { 1040} (( segid " " and resid 34 and name HE )) (( segid " " and resid 34 and name HG2 )) 3.700 1.700 1.700 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.54712E-03 ppm1 7.992 ppm2 1.625 CV 1 ASSI { 1042} (( segid " " and resid 34 and name HE )) (( segid " " and resid 34 and name HD2 )) 3.200 1.300 1.300 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.10355E-02 ppm1 7.989 ppm2 3.346 CV 1 ASSI { 1043} (( segid " " and resid 67 and name HE )) (( segid " " and resid 67 and name HB1 )) 4.800 2.800 1.200 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.32107E-03 ppm1 7.397 ppm2 2.084 CV 1 ASSI { 1044} (( segid " " and resid 67 and name HE )) (( segid " " and resid 67 and name HB2 )) 5.400 3.600 0.600 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.23186E-03 ppm1 7.400 ppm2 1.864 CV 1 ASSI { 1045} (( segid " " and resid 67 and name HE )) (( segid " " and resid 67 and name HG2 )) 3.400 1.400 1.400 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.73798E-03 ppm1 7.397 ppm2 1.748 CV 1 OR { 1045} (( segid " " and resid 67 and name HE )) (( segid " " and resid 67 and name HG1 )) ASSI { 1047} (( segid " " and resid 12 and name HE )) (( segid " " and resid 12 and name HD2 )) 3.400 1.400 1.400 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.81513E-03 ppm1 7.515 ppm2 3.315 CV 1 ASSI { 1049} (( segid " " and resid 12 and name HE )) (( segid " " and resid 12 and name HG2 )) 3.700 1.700 1.700 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.35072E-03 ppm1 7.514 ppm2 1.693 CV 1 ASSI { 1050} (( segid " " and resid 12 and name HE )) (( segid " " and resid 12 and name HB2 )) 3.800 1.800 1.800 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.52678E-03 ppm1 7.513 ppm2 2.025 CV 1 OR { 1050} (( segid " " and resid 12 and name HE )) (( segid " " and resid 12 and name HB1 )) ASSI { 1051} (( segid " " and resid 12 and name HE )) (( segid " " and resid 12 and name HG1 )) 4.500 2.600 1.500 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.32927E-03 ppm1 7.514 ppm2 1.914 CV 1 ASSI { 5} (( segid " " and resid 42 and name H28B)) (( segid " " and resid 42 and name H32A)) 2.300 0.700 0.700 peak 5 spectrum 1 weight 0.10000E+01 volume 0.70721E-02 ppm1 3.896 ppm2 4.119 CV 1 ASSI { 6} (( segid " " and resid 42 and name H28A)) (( segid " " and resid 42 and name H32A)) 2.900 1.100 1.100 peak 6 spectrum 1 weight 0.10000E+01 volume 0.63445E-02 ppm1 3.457 ppm2 4.119 CV 1 ASSI { 9} (( segid " " and resid 42 and name H28A)) (( segid " " and resid 42 and name H28B)) 1.600 0.300 0.600 peak 9 spectrum 1 weight 0.10000E+01 volume 0.17867E-01 ppm1 3.459 ppm2 3.899 CV 1 ASSI { 10} (( segid " " and resid 42 and name H43A)) (( segid " " and resid 42 and name H42B)) 2.900 1.100 1.100 peak 10 spectrum 1 weight 0.10000E+01 volume 0.41642E-02 ppm1 3.089 ppm2 3.455 CV 1 OR { 10} (( segid " " and resid 42 and name H43B)) (( segid " " and resid 42 and name H42A)) OR { 10} (( segid " " and resid 42 and name H43A)) (( segid " " and resid 42 and name H42A)) OR { 10} (( segid " " and resid 42 and name H43B)) (( segid " " and resid 42 and name H42B)) ASSI { 12} (( segid " " and resid 42 and name H37B)) (( segid " " and resid 42 and name H38B)) 2.500 0.800 0.800 peak 12 spectrum 1 weight 0.10000E+01 volume 0.78720E-02 ppm1 3.566 ppm2 2.562 CV 1 OR { 12} (( segid " " and resid 42 and name H37A)) (( segid " " and resid 42 and name H38A)) OR { 12} (( segid " " and resid 42 and name H37A)) (( segid " " and resid 42 and name H38B)) OR { 12} (( segid " " and resid 42 and name H37B)) (( segid " " and resid 42 and name H38A)) ASSI { 14} (( segid " " and resid 42 and name H32A)) ( segid " " and resid 42 and name H31%) 2.800 1.000 1.000 peak 14 spectrum 1 weight 0.10000E+01 volume 0.13750E-01 ppm1 4.119 ppm2 1.068 CV 1 ASSI { 15} (( segid " " and resid 42 and name H28B)) ( segid " " and resid 42 and name H31%) 3.200 1.300 1.300 peak 15 spectrum 1 weight 0.10000E+01 volume 0.94759E-02 ppm1 3.900 ppm2 1.068 CV 1 ASSI { 16} (( segid " " and resid 42 and name H32A)) ( segid " " and resid 42 and name H30%) 2.500 0.800 0.800 peak 16 spectrum 1 weight 0.10000E+01 volume 0.77795E-02 ppm1 4.119 ppm2 0.942 CV 1 ASSI { 17} (( segid " " and resid 42 and name H28B)) ( segid " " and resid 42 and name H30%) 2.000 0.500 0.500 peak 17 spectrum 1 weight 0.10000E+01 volume 0.20347E-01 ppm1 3.900 ppm2 0.942 CV 1 ASSI { 18} (( segid " " and resid 42 and name H28A)) ( segid " " and resid 42 and name H31%) 2.300 0.600 0.600 peak 18 spectrum 1 weight 0.10000E+01 volume 0.13376E-01 ppm1 3.457 ppm2 1.068 CV 1 ASSI { 19} (( segid " " and resid 42 and name H28A)) ( segid " " and resid 42 and name H30%) 2.700 0.900 0.900 peak 19 spectrum 1 weight 0.10000E+01 volume 0.21126E-01 ppm1 3.458 ppm2 0.942 CV 1 ASSI { 20} (( segid " " and resid 42 and name H38A)) ( segid " " and resid 42 and name H31%) 2.700 2.700 3.300 peak 20 spectrum 1 weight 0.10000E+01 volume 0.14146E-02 ppm1 2.568 ppm2 1.067 CV 1 OR { 20} (( segid " " and resid 42 and name H38B)) ( segid " " and resid 42 and name H31%) ASSI { 21} (( segid " " and resid 42 and name H38A)) ( segid " " and resid 42 and name H30%) 4.600 2.600 1.400 peak 21 spectrum 1 weight 0.10000E+01 volume 0.76943E-03 ppm1 2.564 ppm2 0.941 CV 1 OR { 21} (( segid " " and resid 42 and name H38B)) ( segid " " and resid 42 and name H30%) ASSI { 22} (( segid " " and resid 42 and name H36A)) ( segid " " and resid 42 and name H30%) 2.200 0.600 0.600 peak 22 spectrum 1 weight 0.10000E+01 volume 0.50204E-02 ppm1 8.115 ppm2 0.942 CV 1 ASSI { 23} (( segid " " and resid 42 and name H41A)) ( segid " " and resid 42 and name H30%) 3.000 1.100 1.100 peak 23 spectrum 1 weight 0.10000E+01 volume 0.74082E-03 ppm1 8.301 ppm2 0.940 CV 1 ASSI { 24} (( segid " " and resid 42 and name H36A)) ( segid " " and resid 42 and name H31%) 3.500 1.500 1.500 peak 24 spectrum 1 weight 0.10000E+01 volume 0.49103E-02 ppm1 8.115 ppm2 1.068 CV 1 ASSI { 25} (( segid " " and resid 42 and name H41A)) ( segid " " and resid 42 and name H31%) 2.900 2.900 3.100 peak 25 spectrum 1 weight 0.10000E+01 volume 0.92048E-03 ppm1 8.294 ppm2 1.064 CV 1 ASSI { 26} (( segid " " and resid 42 and name H32A)) (( segid " " and resid 42 and name H36A)) 2.100 0.600 0.600 peak 26 spectrum 1 weight 0.10000E+01 volume 0.93235E-02 ppm1 4.119 ppm2 8.113 CV 1 ASSI { 27} (( segid " " and resid 42 and name H37B)) (( segid " " and resid 42 and name H36A)) 2.300 0.600 0.600 peak 27 spectrum 1 weight 0.10000E+01 volume 0.91485E-02 ppm1 3.589 ppm2 8.113 CV 1 OR { 27} (( segid " " and resid 42 and name H37A)) (( segid " " and resid 42 and name H36A)) ASSI { 28} (( segid " " and resid 42 and name H42A)) (( segid " " and resid 42 and name H41A)) 2.700 0.900 0.900 peak 28 spectrum 1 weight 0.10000E+01 volume 0.64720E-02 ppm1 3.443 ppm2 8.294 CV 1 OR { 28} (( segid " " and resid 42 and name H42B)) (( segid " " and resid 42 and name H41A)) ASSI { 29} (( segid " " and resid 42 and name H37B)) (( segid " " and resid 42 and name H41A)) 5.800 4.200 0.200 peak 29 spectrum 1 weight 0.10000E+01 volume 0.65825E-03 ppm1 3.587 ppm2 8.294 CV 1 OR { 29} (( segid " " and resid 42 and name H37A)) (( segid " " and resid 42 and name H41A)) ASSI { 30} (( segid " " and resid 42 and name H43B)) (( segid " " and resid 42 and name H41A)) 3.700 1.700 1.700 peak 30 spectrum 1 weight 0.10000E+01 volume 0.11303E-02 ppm1 3.078 ppm2 8.295 CV 1 OR { 30} (( segid " " and resid 42 and name H43A)) (( segid " " and resid 42 and name H41A)) ASSI { 31} (( segid " " and resid 42 and name H38A)) (( segid " " and resid 42 and name H36A)) 2.900 1.100 1.100 peak 31 spectrum 1 weight 0.10000E+01 volume 0.43741E-02 ppm1 2.562 ppm2 8.113 CV 1 OR { 31} (( segid " " and resid 42 and name H38B)) (( segid " " and resid 42 and name H36A)) ASSI { 32} (( segid " " and resid 42 and name H38A)) (( segid " " and resid 42 and name H41A)) 2.300 0.700 0.700 peak 32 spectrum 1 weight 0.10000E+01 volume 0.10166E-01 ppm1 2.563 ppm2 8.293 CV 1 OR { 32} (( segid " " and resid 42 and name H38B)) (( segid " " and resid 42 and name H41A)) ASSI { 35} (( segid " " and resid 42 and name H37A)) ( segid " " and resid 42 and name H31%) 3.900 1.900 1.900 peak 35 spectrum 1 weight 0.10000E+01 volume 0.67111E-03 ppm1 3.584 ppm2 1.068 CV 1 ASSI { 13} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 74 and name HA )) 3.000 1.100 1.100 peak 13 spectrum 1 weight 0.10000E+01 volume 0.77552E-03 ppm1 0.792 ppm2 4.303 CV 1 OR { 13} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 77 and name HA )) OR { 13} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 52 and name HA )) ASSI { 14} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 53 and name HA )) 3.000 3.000 3.000 peak 14 spectrum 1 weight 0.10000E+01 volume 0.71216E-03 ppm1 0.793 ppm2 4.086 CV 1 OR { 14} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 57 and name HA1 )) OR { 14} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 57 and name HA2 )) ASSI { 18} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 35 and name HN )) 4.400 2.400 1.600 peak 18 spectrum 1 weight 0.10000E+01 volume 0.62030E-03 ppm1 0.868 ppm2 8.461 CV 1 OR { 18} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 34 and name HN )) OR { 18} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 45 and name HN )) ASSI { 21} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 38 and name HN )) 4.200 2.200 1.800 peak 21 spectrum 1 weight 0.10000E+01 volume 0.15647E-02 ppm1 0.871 ppm2 7.711 CV 1 OR { 21} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 39 and name HN )) ASSI { 25} ( segid " " and resid 38 and name HD1%) ( segid " " and resid 30 and name HE% ) 3.400 1.400 1.400 peak 25 spectrum 1 weight 0.10000E+01 volume 0.10698E-02 ppm1 0.870 ppm2 7.211 CV 1 OR { 25} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 33 and name HN )) ASSI { 33} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 60 and name HA )) 3.000 1.100 1.100 peak 33 spectrum 1 weight 0.10000E+01 volume 0.17123E-02 ppm1 0.854 ppm2 4.658 CV 1 OR { 33} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 38 and name HA )) ASSI { 35} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 49 and name HA )) 3.700 1.800 1.800 peak 35 spectrum 1 weight 0.10000E+01 volume 0.15925E-02 ppm1 0.841 ppm2 3.962 CV 1 OR { 35} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 65 and name HA )) ASSI { 39} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 35 and name HB1 )) 4.500 2.500 1.500 peak 39 spectrum 1 weight 0.10000E+01 volume 0.52352E-03 ppm1 0.865 ppm2 3.581 CV 1 OR { 39} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 61 and name HD2 )) ASSI { 40} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 30 and name HB1 )) 3.700 1.700 1.700 peak 40 spectrum 1 weight 0.10000E+01 volume 0.75384E-03 ppm1 0.871 ppm2 3.293 CV 1 OR { 40} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 31 and name HA )) OR { 40} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 41 and name HB1 )) ASSI { 42} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 40 and name HB1 )) 3.700 1.700 1.700 peak 42 spectrum 1 weight 0.10000E+01 volume 0.13373E-02 ppm1 0.871 ppm2 3.011 CV 1 OR { 42} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 30 and name HB2 )) ASSI { 45} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 53 and name HG1 )) 2.800 2.800 3.200 peak 45 spectrum 1 weight 0.10000E+01 volume 0.10265E-02 ppm1 0.795 ppm2 2.767 CV 1 OR { 45} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 56 and name HB2 )) OR { 45} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 79 and name HB2 )) ASSI { 51} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 53 and name HG2 )) 2.900 2.900 3.100 peak 51 spectrum 1 weight 0.10000E+01 volume 0.86853E-03 ppm1 0.796 ppm2 2.316 CV 1 OR { 51} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 10 and name HB1 )) ASSI { 54} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 77 and name HB2 )) 2.800 1.000 1.000 peak 54 spectrum 1 weight 0.10000E+01 volume 0.33117E-02 ppm1 0.795 ppm2 1.934 CV 1 OR { 54} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 78 and name HB )) ASSI { 60} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 77 and name HB2 )) 3.600 1.600 1.600 peak 60 spectrum 1 weight 0.10000E+01 volume 0.88407E-03 ppm1 0.841 ppm2 1.918 CV 1 OR { 60} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 78 and name HB )) ASSI { 70} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 71 and name HG2 )) 2.900 1.100 1.100 peak 70 spectrum 1 weight 0.10000E+01 volume 0.19812E-02 ppm1 0.871 ppm2 1.293 CV 1 OR { 70} ( segid " " and resid 38 and name HD1%) ( segid " " and resid 24 and name HG2%) ASSI { 120} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 56 and name HB2 )) 3.500 1.600 1.600 peak 120 spectrum 1 weight 0.10000E+01 volume 0.97780E-03 ppm1 0.869 ppm2 2.775 CV 1 OR { 120} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 79 and name HB2 )) ASSI { 163} ( segid " " and resid 60 and name HG2%) ( segid " " and resid 49 and name HB% ) 2.700 0.900 0.900 peak 163 spectrum 1 weight 0.10000E+01 volume 0.31301E-02 ppm1 1.024 ppm2 1.500 CV 1 OR { 163} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 60 and name HG11)) ASSI { 178} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 53 and name HG2 )) 4.000 2.000 2.000 peak 178 spectrum 1 weight 0.10000E+01 volume 0.54593E-03 ppm1 1.524 ppm2 2.325 CV 1 OR { 178} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 46 and name HB1 )) ASSI { 179} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 52 and name HB1 )) 4.100 2.100 1.900 peak 179 spectrum 1 weight 0.10000E+01 volume 0.12185E-02 ppm1 1.529 ppm2 2.189 CV 1 OR { 179} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 64 and name HB )) OR { 179} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 51 and name HB1 )) ASSI { 198} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 65 and name HA )) 3.200 1.300 1.300 peak 198 spectrum 1 weight 0.10000E+01 volume 0.30011E-02 ppm1 1.024 ppm2 4.001 CV 1 OR { 198} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 61 and name HD1 )) ASSI { 202} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 78 and name HA )) 5.000 3.100 1.000 peak 202 spectrum 1 weight 0.10000E+01 volume 0.45210E-03 ppm1 1.025 ppm2 3.738 CV 1 OR { 202} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 59 and name HB2 )) ASSI { 209} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 46 and name HA )) 2.800 1.000 1.000 peak 209 spectrum 1 weight 0.10000E+01 volume 0.34572E-02 ppm1 1.523 ppm2 4.259 CV 1 OR { 209} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 50 and name HA )) ASSI { 221} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 78 and name HN )) 3.600 1.600 1.600 peak 221 spectrum 1 weight 0.10000E+01 volume 0.21490E-02 ppm1 0.868 ppm2 8.273 CV 1 OR { 221} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 82 and name HN )) ASSI { 231} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 61 and name HG1 )) 3.200 3.200 2.800 peak 231 spectrum 1 weight 0.10000E+01 volume 0.78678E-03 ppm1 1.389 ppm2 2.165 CV 1 OR { 231} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 61 and name HG2 )) OR { 231} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 71 and name HG1 )) OR { 231} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 75 and name HB1 )) ASSI { 246} ( segid " " and resid 65 and name HB% ) ( segid " " and resid 60 and name HD1%) 4.300 2.300 1.700 peak 246 spectrum 1 weight 0.10000E+01 volume 0.10842E-02 ppm1 1.387 ppm2 0.825 CV 1 OR { 246} ( segid " " and resid 65 and name HB% ) ( segid " " and resid 78 and name HD1%) ASSI { 247} ( segid " " and resid 49 and name HB% ) ( segid " " and resid 60 and name HD1%) 3.200 1.300 1.300 peak 247 spectrum 1 weight 0.10000E+01 volume 0.30406E-02 ppm1 1.523 ppm2 0.842 CV 1 OR { 247} ( segid " " and resid 49 and name HB% ) ( segid " " and resid 52 and name HD1%) ASSI { 250} ( segid " " and resid 65 and name HB% ) ( segid " " and resid 64 and name HG1%) 3.400 1.400 1.400 peak 250 spectrum 1 weight 0.10000E+01 volume 0.26431E-02 ppm1 1.387 ppm2 0.974 CV 1 OR { 250} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 74 and name HG )) OR { 250} ( segid " " and resid 65 and name HB% ) ( segid " " and resid 77 and name HD1%) ASSI { 255} ( segid " " and resid 81 and name HB% ) ( segid " " and resid 82 and name HD1%) 2.500 2.500 3.500 peak 255 spectrum 1 weight 0.10000E+01 volume 0.62959E-02 ppm1 1.625 ppm2 0.959 CV 1 OR { 255} ( segid " " and resid 81 and name HB% ) ( segid " " and resid 58 and name HG2%) ASSI { 258} ( segid " " and resid 13 and name HB% ) ( segid " " and resid 52 and name HD2%) 2.200 0.600 0.600 peak 258 spectrum 1 weight 0.10000E+01 volume 0.84116E-02 ppm1 1.667 ppm2 1.032 CV 1 OR { 258} ( segid " " and resid 13 and name HB% ) ( segid " " and resid 10 and name HD1%) ASSI { 259} ( segid " " and resid 13 and name HB% ) ( segid " " and resid 52 and name HD1%) 2.800 1.000 1.000 peak 259 spectrum 1 weight 0.10000E+01 volume 0.32686E-02 ppm1 1.667 ppm2 0.865 CV 1 OR { 259} ( segid " " and resid 13 and name HB% ) ( segid " " and resid 78 and name HG2%) ASSI { 260} ( segid " " and resid 13 and name HB% ) ( segid " " and resid 14 and name HD1%) 3.500 1.500 1.500 peak 260 spectrum 1 weight 0.10000E+01 volume 0.10935E-02 ppm1 1.670 ppm2 0.773 CV 1 OR { 260} ( segid " " and resid 13 and name HB% ) ( segid " " and resid 78 and name HD1%) ASSI { 261} ( segid " " and resid 44 and name HB% ) (( segid " " and resid 47 and name HB1 )) 4.400 2.400 1.600 peak 261 spectrum 1 weight 0.10000E+01 volume 0.56034E-03 ppm1 1.516 ppm2 2.345 CV 1 OR { 261} ( segid " " and resid 44 and name HB% ) (( segid " " and resid 46 and name HB2 )) ASSI { 264} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 52 and name HG )) 2.600 0.900 0.900 peak 264 spectrum 1 weight 0.10000E+01 volume 0.40346E-02 ppm1 1.667 ppm2 2.028 CV 1 OR { 264} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 51 and name HB2 )) OR { 264} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 12 and name HB1 )) OR { 264} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 11 and name HB1 )) ASSI { 271} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 53 and name HG1 )) 3.300 1.400 1.400 peak 271 spectrum 1 weight 0.10000E+01 volume 0.67421E-03 ppm1 1.523 ppm2 2.758 CV 1 OR { 271} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 46 and name HG2 )) ASSI { 286} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 50 and name HA )) 2.000 0.500 0.500 peak 286 spectrum 1 weight 0.10000E+01 volume 0.18499E-01 ppm1 1.647 ppm2 4.247 CV 1 OR { 286} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 47 and name HA )) ASSI { 288} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 46 and name HB1 )) 3.500 1.600 1.600 peak 288 spectrum 1 weight 0.10000E+01 volume 0.85200E-03 ppm1 1.645 ppm2 2.312 CV 1 OR { 288} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 53 and name HG2 )) ASSI { 290} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 13 and name HA )) 2.200 0.600 0.600 peak 290 spectrum 1 weight 0.10000E+01 volume 0.11515E-01 ppm1 1.668 ppm2 4.398 CV 1 OR { 290} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 48 and name HB )) ASSI { 308} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 14 and name HN )) 2.500 0.800 0.800 peak 308 spectrum 1 weight 0.10000E+01 volume 0.43575E-02 ppm1 1.668 ppm2 8.400 CV 1 OR { 308} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 52 and name HN )) ASSI { 313} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 65 and name HN )) 2.200 0.600 0.600 peak 313 spectrum 1 weight 0.10000E+01 volume 0.96313E-02 ppm1 1.391 ppm2 8.220 CV 1 OR { 313} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 46 and name HN )) ASSI { 329} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 38 and name HN )) 2.800 1.000 1.000 peak 329 spectrum 1 weight 0.10000E+01 volume 0.31512E-02 ppm1 1.055 ppm2 7.712 CV 1 OR { 329} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 39 and name HN )) ASSI { 333} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 34 and name HN )) 3.900 1.900 1.900 peak 333 spectrum 1 weight 0.10000E+01 volume 0.55585E-03 ppm1 1.056 ppm2 8.452 CV 1 OR { 333} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 35 and name HN )) ASSI { 342} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 37 and name HB1 )) 3.100 1.200 1.200 peak 342 spectrum 1 weight 0.10000E+01 volume 0.96385E-03 ppm1 1.057 ppm2 3.078 CV 1 OR { 342} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 35 and name HB2 )) ASSI { 343} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 40 and name HB1 )) 3.500 1.500 1.500 peak 343 spectrum 1 weight 0.10000E+01 volume 0.10290E-02 ppm1 1.055 ppm2 3.003 CV 1 OR { 343} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 30 and name HB2 )) ASSI { 362} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 73 and name HB2 )) 4.100 2.100 1.900 peak 362 spectrum 1 weight 0.10000E+01 volume 0.13599E-02 ppm1 1.206 ppm2 2.272 CV 1 OR { 362} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 71 and name HB1 )) ASSI { 363} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 64 and name HB )) 4.400 2.400 1.600 peak 363 spectrum 1 weight 0.10000E+01 volume 0.60713E-03 ppm1 1.205 ppm2 2.210 CV 1 OR { 363} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 71 and name HG1 )) ASSI { 369} ( segid " " and resid 68 and name HG2%) ( segid " " and resid 64 and name HG1%) 2.600 0.900 0.900 peak 369 spectrum 1 weight 0.10000E+01 volume 0.66946E-02 ppm1 1.205 ppm2 1.000 CV 1 OR { 369} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 74 and name HG )) OR { 369} ( segid " " and resid 68 and name HG2%) ( segid " " and resid 60 and name HG2%) ASSI { 370} ( segid " " and resid 68 and name HG2%) ( segid " " and resid 64 and name HG1%) 2.700 0.900 0.900 peak 370 spectrum 1 weight 0.10000E+01 volume 0.53969E-02 ppm1 1.205 ppm2 0.947 CV 1 OR { 370} ( segid " " and resid 68 and name HG2%) ( segid " " and resid 77 and name HD1%) ASSI { 371} ( segid " " and resid 2 and name HB% ) ( segid " " and resid 4 and name HD2%) 2.900 1.000 1.000 peak 371 spectrum 1 weight 0.10000E+01 volume 0.34220E-02 ppm1 1.645 ppm2 0.979 CV 1 OR { 371} ( segid " " and resid 2 and name HB% ) ( segid " " and resid 82 and name HD1%) ASSI { 375} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 67 and name HB2 )) 3.800 1.800 1.800 peak 375 spectrum 1 weight 0.10000E+01 volume 0.81265E-03 ppm1 1.204 ppm2 1.885 CV 1 OR { 375} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 77 and name HB2 )) OR { 375} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 72 and name HB1 )) ASSI { 381} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 56 and name HB2 )) 2.600 0.800 0.800 peak 381 spectrum 1 weight 0.10000E+01 volume 0.25945E-02 ppm1 0.920 ppm2 2.777 CV 1 OR { 381} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 53 and name HG1 )) ASSI { 392} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 19 and name HA1 )) 4.000 2.000 2.000 peak 392 spectrum 1 weight 0.10000E+01 volume 0.13197E-02 ppm1 1.542 ppm2 4.060 CV 1 OR { 392} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 19 and name HA2 )) OR { 392} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 17 and name HB2 )) ASSI { 398} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 67 and name HA )) 3.700 1.700 1.700 peak 398 spectrum 1 weight 0.10000E+01 volume 0.31465E-03 ppm1 1.208 ppm2 4.618 CV 1 OR { 398} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 70 and name HB )) ASSI { 403} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 39 and name HA1 )) 4.100 2.100 1.900 peak 403 spectrum 1 weight 0.10000E+01 volume 0.45466E-03 ppm1 1.542 ppm2 4.244 CV 1 OR { 403} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 24 and name HB )) OR { 403} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 47 and name HA )) OR { 403} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 46 and name HA )) OR { 403} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 42 and name HA )) ASSI { 408} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 17 and name HA )) 4.700 2.700 1.300 peak 408 spectrum 1 weight 0.10000E+01 volume 0.53457E-03 ppm1 1.543 ppm2 4.562 CV 1 OR { 408} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 40 and name HA )) ASSI { 410} ( segid " " and resid 85 and name HB% ) (( segid " " and resid 82 and name HA )) 3.000 1.100 1.100 peak 410 spectrum 1 weight 0.10000E+01 volume 0.30601E-02 ppm1 1.569 ppm2 4.214 CV 1 OR { 410} ( segid " " and resid 85 and name HB% ) (( segid " " and resid 86 and name HA )) ASSI { 415} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 67 and name HN )) 3.500 1.500 1.500 peak 415 spectrum 1 weight 0.10000E+01 volume 0.17716E-02 ppm1 1.205 ppm2 7.488 CV 1 OR { 415} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 70 and name HN )) ASSI { 425} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 57 and name HN )) 4.000 2.000 2.000 peak 425 spectrum 1 weight 0.10000E+01 volume 0.57439E-03 ppm1 0.918 ppm2 7.961 CV 1 OR { 425} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 83 and name HN )) ASSI { 427} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 18 and name HN )) 2.300 0.700 0.700 peak 427 spectrum 1 weight 0.10000E+01 volume 0.87240E-02 ppm1 1.541 ppm2 7.830 CV 1 OR { 427} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 17 and name HN )) ASSI { 431} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 22 and name HN )) 3.700 1.700 1.700 peak 431 spectrum 1 weight 0.10000E+01 volume 0.98472E-03 ppm1 1.543 ppm2 8.478 CV 1 OR { 431} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 15 and name HN )) OR { 431} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 20 and name HN )) OR { 431} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 23 and name HN )) ASSI { 433} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 75 and name HN )) 5.100 3.300 0.900 peak 433 spectrum 1 weight 0.10000E+01 volume 0.31316E-03 ppm1 1.204 ppm2 8.724 CV 1 OR { 433} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 49 and name HN )) ASSI { 436} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 82 and name HN )) 3.800 1.800 1.800 peak 436 spectrum 1 weight 0.10000E+01 volume 0.75998E-03 ppm1 0.918 ppm2 8.269 CV 1 OR { 436} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 78 and name HN )) ASSI { 451} ( segid " " and resid 48 and name HG2%) ( segid " " and resid 77 and name HD2%) 3.500 3.500 2.500 peak 451 spectrum 1 weight 0.10000E+01 volume 0.24081E-02 ppm1 1.124 ppm2 0.939 CV 1 OR { 451} ( segid " " and resid 48 and name HG2%) ( segid " " and resid 58 and name HG1%) OR { 451} ( segid " " and resid 48 and name HG2%) ( segid " " and resid 77 and name HD1%) ASSI { 452} ( segid " " and resid 48 and name HG2%) ( segid " " and resid 52 and name HD1%) 2.400 0.700 0.700 peak 452 spectrum 1 weight 0.10000E+01 volume 0.75585E-02 ppm1 1.124 ppm2 0.865 CV 1 OR { 452} ( segid " " and resid 48 and name HG2%) ( segid " " and resid 78 and name HG2%) ASSI { 459} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 51 and name HB1 )) 3.600 1.600 1.600 peak 459 spectrum 1 weight 0.10000E+01 volume 0.12623E-02 ppm1 1.124 ppm2 2.199 CV 1 OR { 459} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 52 and name HB1 )) OR { 459} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 75 and name HB1 )) ASSI { 460} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 52 and name HG )) 2.900 1.000 1.000 peak 460 spectrum 1 weight 0.10000E+01 volume 0.25834E-02 ppm1 1.125 ppm2 2.031 CV 1 OR { 460} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 51 and name HB2 )) ASSI { 461} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 14 and name HG )) 2.900 1.100 1.100 peak 461 spectrum 1 weight 0.10000E+01 volume 0.27401E-02 ppm1 1.125 ppm2 1.880 CV 1 OR { 461} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 10 and name HG )) ASSI { 475} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 9 and name HB2 )) 4.300 2.300 1.700 peak 475 spectrum 1 weight 0.10000E+01 volume 0.89140E-03 ppm1 1.413 ppm2 2.706 CV 1 OR { 475} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 8 and name HB1 )) OR { 475} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 8 and name HB2 )) ASSI { 486} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 34 and name HD2 )) 4.100 2.100 1.900 peak 486 spectrum 1 weight 0.10000E+01 volume 0.41711E-03 ppm1 1.075 ppm2 3.334 CV 1 OR { 486} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 31 and name HA )) ASSI { 490} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 48 and name HA )) 2.400 0.700 0.700 peak 490 spectrum 1 weight 0.10000E+01 volume 0.67261E-02 ppm1 1.125 ppm2 3.954 CV 1 OR { 490} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 49 and name HA )) ASSI { 492} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 12 and name HA )) 3.800 1.800 1.800 peak 492 spectrum 1 weight 0.10000E+01 volume 0.15990E-02 ppm1 1.036 ppm2 4.048 CV 1 OR { 492} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 19 and name HA2 )) OR { 492} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 17 and name HB2 )) ASSI { 503} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 48 and name HB )) 2.100 0.600 0.600 peak 503 spectrum 1 weight 0.10000E+01 volume 0.94108E-02 ppm1 1.125 ppm2 4.405 CV 1 OR { 503} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 13 and name HA )) ASSI { 510} ( segid " " and resid 24 and name HG2%) (( segid " " and resid 38 and name HA )) 4.000 2.000 2.000 peak 510 spectrum 1 weight 0.10000E+01 volume 0.50347E-03 ppm1 1.275 ppm2 4.691 CV 1 OR { 510} ( segid " " and resid 24 and name HG2%) (( segid " " and resid 25 and name HA )) ASSI { 517} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 33 and name HN )) 4.100 2.100 1.900 peak 517 spectrum 1 weight 0.10000E+01 volume 0.40282E-03 ppm1 1.075 ppm2 7.213 CV 1 OR { 517} ( segid " " and resid 70 and name HG2%) ( segid " " and resid 30 and name HE% ) ASSI { 528} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 35 and name HN )) 3.500 1.500 1.500 peak 528 spectrum 1 weight 0.10000E+01 volume 0.19987E-02 ppm1 1.072 ppm2 8.459 CV 1 OR { 528} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 34 and name HN )) ASSI { 530} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 14 and name HN )) 3.300 1.400 1.400 peak 530 spectrum 1 weight 0.10000E+01 volume 0.14329E-02 ppm1 1.125 ppm2 8.402 CV 1 OR { 530} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 52 and name HN )) ASSI { 532} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 50 and name HN )) 4.400 2.500 1.600 peak 532 spectrum 1 weight 0.10000E+01 volume 0.47489E-03 ppm1 1.127 ppm2 8.219 CV 1 OR { 532} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 16 and name HN )) OR { 532} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 46 and name HN )) ASSI { 537} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 22 and name HN )) 3.700 1.700 1.700 peak 537 spectrum 1 weight 0.10000E+01 volume 0.11044E-02 ppm1 1.238 ppm2 8.503 CV 1 OR { 537} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 23 and name HN )) ASSI { 553} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 14 and name HB2 )) 3.000 1.200 1.200 peak 553 spectrum 1 weight 0.10000E+01 volume 0.25328E-02 ppm1 1.111 ppm2 1.448 CV 1 OR { 553} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 26 and name HB1 )) ASSI { 555} ( segid " " and resid 74 and name HD1%) ( segid " " and resid 49 and name HB% ) 2.900 1.000 1.000 peak 555 spectrum 1 weight 0.10000E+01 volume 0.21140E-02 ppm1 1.063 ppm2 1.512 CV 1 OR { 555} ( segid " " and resid 74 and name HD2%) ( segid " " and resid 49 and name HB% ) OR { 555} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 60 and name HG11)) ASSI { 575} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 65 and name HA )) 3.200 1.300 1.300 peak 575 spectrum 1 weight 0.10000E+01 volume 0.13750E-02 ppm1 1.063 ppm2 3.960 CV 1 OR { 575} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 49 and name HA )) OR { 575} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 49 and name HA )) OR { 575} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 65 and name HA )) ASSI { 594} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 11 and name HE )) 4.300 2.400 1.700 peak 594 spectrum 1 weight 0.10000E+01 volume 0.32647E-03 ppm1 1.110 ppm2 7.325 CV 1 OR { 594} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 30 and name HZ )) ASSI { 604} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 74 and name HG )) 2.800 1.000 1.000 peak 604 spectrum 1 weight 0.10000E+01 volume 0.28334E-02 ppm1 0.351 ppm2 0.973 CV 1 OR { 604} ( segid " " and resid 45 and name HD2%) ( segid " " and resid 64 and name HG1%) OR { 604} ( segid " " and resid 45 and name HD2%) ( segid " " and resid 77 and name HD1%) ASSI { 608} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 74 and name HG )) 3.500 1.600 1.600 peak 608 spectrum 1 weight 0.10000E+01 volume 0.17251E-02 ppm1 0.234 ppm2 0.969 CV 1 OR { 608} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 64 and name HG1%) OR { 608} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 77 and name HD1%) ASSI { 612} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 26 and name HB1 )) 3.300 1.300 1.300 peak 612 spectrum 1 weight 0.10000E+01 volume 0.25066E-02 ppm1 0.690 ppm2 1.446 CV 1 OR { 612} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 14 and name HB2 )) ASSI { 615} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 67 and name HB2 )) 3.200 1.300 1.300 peak 615 spectrum 1 weight 0.10000E+01 volume 0.10822E-02 ppm1 1.129 ppm2 1.880 CV 1 OR { 615} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 72 and name HB1 )) OR { 615} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 10 and name HG )) ASSI { 627} ( segid " " and resid 7 and name HG2%) ( segid " " and resid 75 and name HD2%) 3.600 1.600 1.600 peak 627 spectrum 1 weight 0.10000E+01 volume 0.23744E-02 ppm1 1.381 ppm2 0.871 CV 1 OR { 627} ( segid " " and resid 7 and name HG2%) ( segid " " and resid 14 and name HD2%) ASSI { 628} ( segid " " and resid 7 and name HG2%) ( segid " " and resid 31 and name HD2%) 2.900 1.000 1.000 peak 628 spectrum 1 weight 0.10000E+01 volume 0.46568E-02 ppm1 1.382 ppm2 0.773 CV 1 OR { 628} ( segid " " and resid 7 and name HG2%) ( segid " " and resid 14 and name HD1%) OR { 628} ( segid " " and resid 7 and name HG2%) ( segid " " and resid 75 and name HD1%) ASSI { 636} ( segid " " and resid 52 and name HD2%) ( segid " " and resid 52 and name HD1%) 2.000 0.500 0.500 peak 636 spectrum 1 weight 0.10000E+01 volume 0.14755E-01 ppm1 1.037 ppm2 0.855 CV 1 OR { 636} ( segid " " and resid 10 and name HD1%) ( segid " " and resid 52 and name HD1%) OR { 636} ( segid " " and resid 52 and name HD2%) ( segid " " and resid 78 and name HG2%) ASSI { 637} ( segid " " and resid 10 and name HD1%) ( segid " " and resid 14 and name HD1%) 2.600 0.800 0.800 peak 637 spectrum 1 weight 0.10000E+01 volume 0.65903E-02 ppm1 1.037 ppm2 0.788 CV 1 OR { 637} ( segid " " and resid 10 and name HD1%) ( segid " " and resid 75 and name HD1%) OR { 637} ( segid " " and resid 10 and name HD1%) ( segid " " and resid 78 and name HD1%) OR { 637} ( segid " " and resid 52 and name HD2%) ( segid " " and resid 78 and name HD1%) ASSI { 639} ( segid " " and resid 14 and name HD1%) ( segid " " and resid 48 and name HG2%) 2.400 0.700 0.700 peak 639 spectrum 1 weight 0.10000E+01 volume 0.70746E-02 ppm1 0.758 ppm2 1.120 CV 1 OR { 639} ( segid " " and resid 14 and name HD1%) ( segid " " and resid 10 and name HD2%) ASSI { 642} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 26 and name HB2 )) 2.500 0.800 0.800 peak 642 spectrum 1 weight 0.10000E+01 volume 0.56091E-02 ppm1 0.690 ppm2 1.256 CV 1 OR { 642} ( segid " " and resid 26 and name HD1%) ( segid " " and resid 24 and name HG2%) ASSI { 647} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 45 and name HB2 )) 3.200 1.300 1.300 peak 647 spectrum 1 weight 0.10000E+01 volume 0.30043E-02 ppm1 0.352 ppm2 1.503 CV 1 OR { 647} ( segid " " and resid 45 and name HD2%) ( segid " " and resid 49 and name HB% ) ASSI { 652} ( segid " " and resid 26 and name HD1%) ( segid " " and resid 14 and name HD2%) 2.400 0.700 0.700 peak 652 spectrum 1 weight 0.10000E+01 volume 0.55404E-02 ppm1 0.690 ppm2 0.882 CV 1 OR { 652} ( segid " " and resid 26 and name HD1%) ( segid " " and resid 38 and name HD1%) ASSI { 655} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 52 and name HB2 )) 3.000 1.200 1.200 peak 655 spectrum 1 weight 0.10000E+01 volume 0.48107E-02 ppm1 1.035 ppm2 1.446 CV 1 OR { 655} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 14 and name HB2 )) ASSI { 659} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 71 and name HG2 )) 4.200 2.200 1.800 peak 659 spectrum 1 weight 0.10000E+01 volume 0.49638E-03 ppm1 0.756 ppm2 1.333 CV 1 OR { 659} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 45 and name HG )) ASSI { 660} ( segid " " and resid 26 and name HD1%) ( segid " " and resid 7 and name HG2%) 5.100 3.300 0.900 peak 660 spectrum 1 weight 0.10000E+01 volume 0.38930E-03 ppm1 0.690 ppm2 1.363 CV 1 OR { 660} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 45 and name HG )) ASSI { 661} ( segid " " and resid 52 and name HD2%) ( segid " " and resid 13 and name HB% ) 2.200 0.600 0.600 peak 661 spectrum 1 weight 0.10000E+01 volume 0.11389E-01 ppm1 1.038 ppm2 1.670 CV 1 OR { 661} ( segid " " and resid 10 and name HD1%) ( segid " " and resid 13 and name HB% ) OR { 661} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 74 and name HB2 )) ASSI { 662} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 10 and name HB2 )) 2.400 0.700 0.700 peak 662 spectrum 1 weight 0.10000E+01 volume 0.61291E-02 ppm1 1.041 ppm2 1.556 CV 1 OR { 662} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 75 and name HB2 )) OR { 662} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 5 and name HB1 )) OR { 662} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 5 and name HG )) OR { 662} ( segid " " and resid 52 and name HD2%) ( segid " " and resid 49 and name HB% ) ASSI { 663} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 52 and name HG )) 2.200 0.600 0.600 peak 663 spectrum 1 weight 0.10000E+01 volume 0.74248E-02 ppm1 1.035 ppm2 2.027 CV 1 OR { 663} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 52 and name HG )) ASSI { 664} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 10 and name HG )) 2.100 0.600 0.600 peak 664 spectrum 1 weight 0.10000E+01 volume 0.99251E-02 ppm1 1.043 ppm2 1.885 CV 1 OR { 664} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 55 and name HB1 )) ASSI { 667} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 52 and name HB1 )) 2.600 0.800 0.800 peak 667 spectrum 1 weight 0.10000E+01 volume 0.30307E-02 ppm1 1.036 ppm2 2.215 CV 1 OR { 667} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 51 and name HB1 )) OR { 667} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 75 and name HB1 )) ASSI { 672} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 31 and name HB1 )) 3.400 1.400 1.400 peak 672 spectrum 1 weight 0.10000E+01 volume 0.22047E-02 ppm1 0.457 ppm2 1.627 CV 1 OR { 672} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 72 and name HB2 )) ASSI { 676} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 14 and name HG )) 2.300 0.600 0.600 peak 676 spectrum 1 weight 0.10000E+01 volume 0.62257E-02 ppm1 0.758 ppm2 1.881 CV 1 OR { 676} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 10 and name HG )) ASSI { 683} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 40 and name HB2 )) 3.600 1.600 1.600 peak 683 spectrum 1 weight 0.10000E+01 volume 0.54232E-03 ppm1 0.353 ppm2 2.794 CV 1 OR { 683} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 71 and name HD2 )) OR { 683} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 62 and name HB1 )) ASSI { 685} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 68 and name HB )) 4.500 2.600 1.500 peak 685 spectrum 1 weight 0.10000E+01 volume 0.41589E-03 ppm1 0.355 ppm2 2.422 CV 1 OR { 685} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 74 and name HB1 )) ASSI { 686} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 68 and name HB )) 4.100 2.200 1.900 peak 686 spectrum 1 weight 0.10000E+01 volume 0.69915E-03 ppm1 0.235 ppm2 2.410 CV 1 OR { 686} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 74 and name HB1 )) ASSI { 707} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 35 and name HB1 )) 2.900 2.900 3.100 peak 707 spectrum 1 weight 0.10000E+01 volume 0.90437E-03 ppm1 0.353 ppm2 3.579 CV 1 OR { 707} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 61 and name HD2 )) ASSI { 711} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 45 and name HA )) 3.000 1.100 1.100 peak 711 spectrum 1 weight 0.10000E+01 volume 0.25507E-02 ppm1 0.235 ppm2 3.888 CV 1 OR { 711} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 66 and name HA2 )) ASSI { 714} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 45 and name HA )) 4.500 2.500 1.500 peak 714 spectrum 1 weight 0.10000E+01 volume 0.47077E-03 ppm1 0.757 ppm2 3.901 CV 1 OR { 714} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 75 and name HA )) ASSI { 716} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 75 and name HA )) 3.300 1.400 1.400 peak 716 spectrum 1 weight 0.10000E+01 volume 0.14077E-02 ppm1 1.042 ppm2 3.890 CV 1 OR { 716} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 7 and name HA )) OR { 716} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 75 and name HA )) ASSI { 720} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 46 and name HA )) 3.300 1.400 1.400 peak 720 spectrum 1 weight 0.10000E+01 volume 0.13607E-02 ppm1 0.352 ppm2 4.258 CV 1 OR { 720} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 42 and name HA )) OR { 720} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 71 and name HA )) ASSI { 722} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 42 and name HA )) 3.800 1.800 1.800 peak 722 spectrum 1 weight 0.10000E+01 volume 0.90674E-03 ppm1 0.235 ppm2 4.257 CV 1 OR { 722} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 46 and name HA )) OR { 722} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 71 and name HA )) ASSI { 723} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 35 and name HA )) 3.800 1.800 1.800 peak 723 spectrum 1 weight 0.10000E+01 volume 0.66946E-03 ppm1 0.233 ppm2 4.390 CV 1 OR { 723} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 48 and name HB )) OR { 723} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 14 and name HA )) ASSI { 725} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 7 and name HB )) 3.100 1.200 1.200 peak 725 spectrum 1 weight 0.10000E+01 volume 0.62995E-03 ppm1 0.456 ppm2 4.310 CV 1 OR { 725} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 74 and name HA )) ASSI { 726} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 71 and name HA )) 4.500 2.500 1.500 peak 726 spectrum 1 weight 0.10000E+01 volume 0.50188E-03 ppm1 0.456 ppm2 4.226 CV 1 OR { 726} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 73 and name HA )) ASSI { 727} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 25 and name HA )) 4.700 2.700 1.300 peak 727 spectrum 1 weight 0.10000E+01 volume 0.55404E-03 ppm1 0.689 ppm2 4.720 CV 1 OR { 727} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 30 and name HA )) ASSI { 730} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 24 and name HB )) 4.200 2.200 1.800 peak 730 spectrum 1 weight 0.10000E+01 volume 0.58441E-03 ppm1 0.690 ppm2 4.229 CV 1 OR { 730} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 71 and name HA )) OR { 730} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 28 and name HA1 )) ASSI { 731} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 14 and name HA )) 2.600 0.800 0.800 peak 731 spectrum 1 weight 0.10000E+01 volume 0.74103E-02 ppm1 0.758 ppm2 4.396 CV 1 OR { 731} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 48 and name HB )) OR { 731} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 13 and name HA )) ASSI { 732} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 10 and name HA )) 4.300 2.300 1.700 peak 732 spectrum 1 weight 0.10000E+01 volume 0.49075E-03 ppm1 0.760 ppm2 4.218 CV 1 OR { 732} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 71 and name HA )) ASSI { 740} ( segid " " and resid 82 and name HD2%) (( segid " " and resid 56 and name HA )) 3.100 1.200 1.200 peak 740 spectrum 1 weight 0.10000E+01 volume 0.63362E-03 ppm1 0.986 ppm2 4.680 CV 1 OR { 740} ( segid " " and resid 82 and name HD2%) (( segid " " and resid 58 and name HA )) ASSI { 741} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 5 and name HA )) 5.100 3.200 0.900 peak 741 spectrum 1 weight 0.10000E+01 volume 0.43079E-03 ppm1 1.035 ppm2 4.521 CV 1 OR { 741} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 5 and name HA )) ASSI { 742} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 48 and name HB )) 3.700 1.700 1.700 peak 742 spectrum 1 weight 0.10000E+01 volume 0.12837E-02 ppm1 1.038 ppm2 4.405 CV 1 OR { 742} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 13 and name HA )) OR { 742} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 14 and name HA )) OR { 742} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 13 and name HA )) ASSI { 744} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 10 and name HA )) 2.000 0.500 0.500 peak 744 spectrum 1 weight 0.10000E+01 volume 0.10853E-01 ppm1 1.042 ppm2 4.209 CV 1 OR { 744} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 10 and name HA )) ASSI { 749} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 74 and name HA )) 2.600 0.800 0.800 peak 749 spectrum 1 weight 0.10000E+01 volume 0.45526E-02 ppm1 1.130 ppm2 4.304 CV 1 OR { 749} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 77 and name HA )) ASSI { 754} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 76 and name HA )) 4.800 2.900 1.200 peak 754 spectrum 1 weight 0.10000E+01 volume 0.27596E-03 ppm1 0.882 ppm2 4.486 CV 1 OR { 754} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 81 and name HA )) ASSI { 766} ( segid " " and resid 26 and name HD1%) ( segid " " and resid 40 and name HD% ) 4.500 2.500 1.500 peak 766 spectrum 1 weight 0.10000E+01 volume 0.43604E-03 ppm1 0.688 ppm2 6.948 CV 1 OR { 766} ( segid " " and resid 26 and name HD1%) ( segid " " and resid 35 and name HE% ) ASSI { 771} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 72 and name HH22)) 4.700 2.800 1.300 peak 771 spectrum 1 weight 0.10000E+01 volume 0.48292E-03 ppm1 0.457 ppm2 6.899 CV 1 OR { 771} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 72 and name HH11)) OR { 771} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 72 and name HH21)) OR { 771} ( segid " " and resid 31 and name HD1%) ( segid " " and resid 35 and name HE% ) OR { 771} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 72 and name HH12)) OR { 771} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 35 and name HZ )) ASSI { 774} ( segid " " and resid 31 and name HD1%) ( segid " " and resid 30 and name HE% ) 3.400 1.500 1.500 peak 774 spectrum 1 weight 0.10000E+01 volume 0.16150E-02 ppm1 0.456 ppm2 7.213 CV 1 OR { 774} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 33 and name HN )) ASSI { 779} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 35 and name HE% ) 3.700 1.700 1.700 peak 779 spectrum 1 weight 0.10000E+01 volume 0.13015E-02 ppm1 0.235 ppm2 6.942 CV 1 OR { 779} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 40 and name HD% ) ASSI { 788} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 30 and name HZ )) 4.400 2.400 1.600 peak 788 spectrum 1 weight 0.10000E+01 volume 0.66088E-03 ppm1 1.041 ppm2 7.329 CV 1 OR { 788} ( segid " " and resid 10 and name HD1%) ( segid " " and resid 30 and name HD% ) OR { 788} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 79 and name HD21)) OR { 788} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 79 and name HD21)) ASSI { 790} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 67 and name HN )) 3.700 1.700 1.700 peak 790 spectrum 1 weight 0.10000E+01 volume 0.17162E-02 ppm1 1.130 ppm2 7.481 CV 1 OR { 790} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 70 and name HN )) ASSI { 792} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 13 and name HN )) 3.700 1.700 1.700 peak 792 spectrum 1 weight 0.10000E+01 volume 0.10763E-02 ppm1 1.038 ppm2 7.705 CV 1 OR { 792} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 74 and name HN )) ASSI { 797} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 82 and name HN )) 4.500 2.600 1.500 peak 797 spectrum 1 weight 0.10000E+01 volume 0.56881E-03 ppm1 0.880 ppm2 8.275 CV 1 OR { 797} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 78 and name HN )) ASSI { 803} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 15 and name HN )) 3.900 1.900 1.900 peak 803 spectrum 1 weight 0.10000E+01 volume 0.12905E-02 ppm1 0.689 ppm2 8.456 CV 1 OR { 803} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 26 and name HN )) ASSI { 804} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 30 and name HN )) 4.200 2.200 1.800 peak 804 spectrum 1 weight 0.10000E+01 volume 0.45090E-03 ppm1 0.454 ppm2 8.052 CV 1 OR { 804} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 32 and name HN )) ASSI { 806} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 46 and name HN )) 4.100 2.100 1.900 peak 806 spectrum 1 weight 0.10000E+01 volume 0.49597E-03 ppm1 0.352 ppm2 8.218 CV 1 OR { 806} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 65 and name HN )) ASSI { 807} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 45 and name HN )) 4.600 2.700 1.400 peak 807 spectrum 1 weight 0.10000E+01 volume 0.70731E-03 ppm1 0.234 ppm2 8.462 CV 1 OR { 807} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 35 and name HN )) ASSI { 812} ( segid " " and resid 82 and name HD2%) (( segid " " and resid 83 and name HN )) 3.100 1.200 1.200 peak 812 spectrum 1 weight 0.10000E+01 volume 0.61818E-03 ppm1 0.986 ppm2 7.955 CV 1 OR { 812} ( segid " " and resid 82 and name HD2%) (( segid " " and resid 57 and name HN )) ASSI { 813} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 10 and name HN )) 4.000 2.000 2.000 peak 813 spectrum 1 weight 0.10000E+01 volume 0.13572E-02 ppm1 1.041 ppm2 8.074 CV 1 OR { 813} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 55 and name HN )) ASSI { 814} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 77 and name HN )) 4.900 3.000 1.100 peak 814 spectrum 1 weight 0.10000E+01 volume 0.47460E-03 ppm1 1.130 ppm2 8.012 CV 1 OR { 814} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 66 and name HN )) ASSI { 821} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 11 and name HN )) 3.700 1.700 1.700 peak 821 spectrum 1 weight 0.10000E+01 volume 0.13075E-02 ppm1 1.382 ppm2 8.828 CV 1 OR { 821} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 7 and name HN )) ASSI { 823} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 52 and name HN )) 3.300 1.400 1.400 peak 823 spectrum 1 weight 0.10000E+01 volume 0.22129E-02 ppm1 1.036 ppm2 8.413 CV 1 OR { 823} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 14 and name HN )) ASSI { 827} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 75 and name HN )) 4.300 2.300 1.700 peak 827 spectrum 1 weight 0.10000E+01 volume 0.52559E-03 ppm1 1.040 ppm2 8.731 CV 1 OR { 827} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 49 and name HN )) OR { 827} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 49 and name HN )) ASSI { 837} ( segid " " and resid 5 and name HD2%) ( segid " " and resid 58 and name HG1%) 3.600 1.600 1.600 peak 837 spectrum 1 weight 0.10000E+01 volume 0.33956E-02 ppm1 0.643 ppm2 0.901 CV 1 OR { 837} ( segid " " and resid 5 and name HD2%) ( segid " " and resid 75 and name HD2%) OR { 837} ( segid " " and resid 5 and name HD2%) ( segid " " and resid 4 and name HD1%) ASSI { 838} ( segid " " and resid 5 and name HD1%) ( segid " " and resid 78 and name HG2%) 2.200 0.600 0.600 peak 838 spectrum 1 weight 0.10000E+01 volume 0.54867E-02 ppm1 0.603 ppm2 0.868 CV 1 OR { 838} ( segid " " and resid 5 and name HD1%) ( segid " " and resid 52 and name HD1%) ASSI { 851} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 31 and name HB1 )) 2.500 0.800 0.800 peak 851 spectrum 1 weight 0.10000E+01 volume 0.50637E-02 ppm1 0.778 ppm2 1.624 CV 1 OR { 851} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 72 and name HB2 )) ASSI { 853} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 75 and name HB2 )) 2.200 0.600 0.600 peak 853 spectrum 1 weight 0.10000E+01 volume 0.77645E-02 ppm1 0.791 ppm2 1.561 CV 1 OR { 853} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 10 and name HB2 )) OR { 853} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 5 and name HB1 )) OR { 853} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 5 and name HG )) ASSI { 865} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 77 and name HA )) 2.300 0.700 0.700 peak 865 spectrum 1 weight 0.10000E+01 volume 0.60739E-02 ppm1 0.958 ppm2 4.279 CV 1 OR { 865} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 77 and name HA )) OR { 865} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 74 and name HA )) ASSI { 880} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 3 and name HB )) 3.400 1.400 1.400 peak 880 spectrum 1 weight 0.10000E+01 volume 0.10483E-02 ppm1 0.643 ppm2 4.207 CV 1 OR { 880} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 10 and name HA )) OR { 880} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 82 and name HA )) ASSI { 881} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 10 and name HA )) 3.700 1.700 1.700 peak 881 spectrum 1 weight 0.10000E+01 volume 0.79727E-03 ppm1 0.607 ppm2 4.208 CV 1 OR { 881} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 82 and name HA )) ASSI { 883} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 5 and name HA )) 3.900 1.900 1.900 peak 883 spectrum 1 weight 0.10000E+01 volume 0.19162E-02 ppm1 0.604 ppm2 4.526 CV 1 OR { 883} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 9 and name HA )) ASSI { 886} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 72 and name HH22)) 3.800 1.800 1.800 peak 886 spectrum 1 weight 0.10000E+01 volume 0.17883E-02 ppm1 0.778 ppm2 6.899 CV 1 OR { 886} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 72 and name HH11)) OR { 886} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 72 and name HH21)) OR { 886} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 72 and name HH12)) OR { 886} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 35 and name HZ )) ASSI { 900} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 79 and name HN )) 3.800 1.800 1.800 peak 900 spectrum 1 weight 0.10000E+01 volume 0.71278E-03 ppm1 0.791 ppm2 8.852 CV 1 OR { 900} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 7 and name HN )) ASSI { 906} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 78 and name HN )) 5.200 3.400 0.800 peak 906 spectrum 1 weight 0.10000E+01 volume 0.41138E-03 ppm1 0.600 ppm2 8.263 CV 1 OR { 906} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 82 and name HN )) ASSI { 907} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 10 and name HN )) 4.700 2.800 1.300 peak 907 spectrum 1 weight 0.10000E+01 volume 0.39049E-03 ppm1 0.603 ppm2 8.067 CV 1 OR { 907} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 55 and name HN )) ASSI { 921} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 7 and name HB )) 3.600 1.600 1.600 peak 921 spectrum 1 weight 0.10000E+01 volume 0.32304E-03 ppm1 0.779 ppm2 4.316 CV 1 OR { 921} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 74 and name HA )) ASSI { 924} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 7 and name HB )) 4.300 2.300 1.700 peak 924 spectrum 1 weight 0.10000E+01 volume 0.35573E-03 ppm1 0.793 ppm2 4.329 CV 1 OR { 924} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 74 and name HA )) ASSI { 925} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 10 and name HA )) 3.300 1.400 1.400 peak 925 spectrum 1 weight 0.10000E+01 volume 0.52357E-03 ppm1 0.794 ppm2 4.221 CV 1 OR { 925} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 73 and name HA )) OR { 925} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 82 and name HA )) ASSI { 945} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 10 and name HB1 )) 4.800 2.900 1.200 peak 945 spectrum 1 weight 0.10000E+01 volume 0.49322E-03 ppm1 0.608 ppm2 2.336 CV 1 OR { 945} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 53 and name HG2 )) OR { 945} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 53 and name HB2 )) ASSI { 948} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 78 and name HG11)) 3.300 1.400 1.400 peak 948 spectrum 1 weight 0.10000E+01 volume 0.11250E-02 ppm1 0.602 ppm2 1.702 CV 1 OR { 948} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 75 and name HG )) ASSI { 949} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 75 and name HG )) 4.400 2.400 1.600 peak 949 spectrum 1 weight 0.10000E+01 volume 0.89471E-03 ppm1 0.643 ppm2 1.686 CV 1 OR { 949} ( segid " " and resid 5 and name HD2%) ( segid " " and resid 13 and name HB% ) OR { 949} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 4 and name HG )) ASSI { 951} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 10 and name HG )) 3.500 1.500 1.500 peak 951 spectrum 1 weight 0.10000E+01 volume 0.68660E-03 ppm1 0.794 ppm2 1.908 CV 1 OR { 951} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 77 and name HB2 )) ASSI { 968} (( segid " " and resid 26 and name HG )) (( segid " " and resid 26 and name HN )) 3.500 1.500 1.500 peak 968 spectrum 1 weight 0.10000E+01 volume 0.17180E-02 ppm1 1.579 ppm2 8.462 CV 1 OR { 968} (( segid " " and resid 26 and name HG )) (( segid " " and resid 15 and name HN )) ASSI { 969} (( segid " " and resid 75 and name HG )) (( segid " " and resid 76 and name HN )) 3.900 1.900 1.900 peak 969 spectrum 1 weight 0.10000E+01 volume 0.92647E-03 ppm1 1.687 ppm2 8.713 CV 1 OR { 969} (( segid " " and resid 75 and name HG )) (( segid " " and resid 75 and name HN )) ASSI { 974} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 7 and name HN )) 4.200 2.200 1.800 peak 974 spectrum 1 weight 0.10000E+01 volume 0.47802E-03 ppm1 0.870 ppm2 8.849 CV 1 OR { 974} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 79 and name HN )) ASSI { 975} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 75 and name HN )) 3.700 1.800 1.800 peak 975 spectrum 1 weight 0.10000E+01 volume 0.24844E-02 ppm1 0.871 ppm2 8.717 CV 1 OR { 975} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 76 and name HN )) ASSI { 976} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 26 and name HN )) 3.700 1.700 1.700 peak 976 spectrum 1 weight 0.10000E+01 volume 0.11143E-02 ppm1 0.797 ppm2 8.459 CV 1 OR { 976} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 15 and name HN )) ASSI { 981} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 51 and name HN )) 4.400 2.400 1.600 peak 981 spectrum 1 weight 0.10000E+01 volume 0.40807E-03 ppm1 0.862 ppm2 8.107 CV 1 OR { 981} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 56 and name HN )) OR { 981} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 55 and name HN )) ASSI { 984} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 83 and name HN )) 3.400 1.400 1.400 peak 984 spectrum 1 weight 0.10000E+01 volume 0.33672E-03 ppm1 0.980 ppm2 7.962 CV 1 OR { 984} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 57 and name HN )) ASSI { 992} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 79 and name HD22)) 3.300 1.300 1.300 peak 992 spectrum 1 weight 0.10000E+01 volume 0.18980E-02 ppm1 0.872 ppm2 7.672 CV 1 OR { 992} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 79 and name HD22)) ASSI { 997} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 79 and name HD21)) 3.700 1.700 1.700 peak 997 spectrum 1 weight 0.10000E+01 volume 0.19579E-02 ppm1 0.873 ppm2 7.330 CV 1 OR { 997} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 79 and name HD21)) ASSI { 1000} ( segid " " and resid 26 and name HD2%) ( segid " " and resid 40 and name HD% ) 4.800 2.900 1.200 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.25138E-03 ppm1 0.796 ppm2 6.947 CV 1 OR { 1000} ( segid " " and resid 26 and name HD2%) ( segid " " and resid 35 and name HE% ) ASSI { 1012} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 82 and name HA )) 3.900 1.900 1.900 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.13461E-02 ppm1 0.979 ppm2 4.212 CV 1 OR { 1012} (( segid " " and resid 74 and name HG )) (( segid " " and resid 71 and name HA )) ASSI { 1013} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 14 and name HA )) 3.700 1.700 1.700 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.11130E-02 ppm1 0.892 ppm2 4.394 CV 1 OR { 1013} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 48 and name HB )) OR { 1013} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 35 and name HA )) ASSI { 1014} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 71 and name HA )) 4.000 2.000 2.000 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.65732E-03 ppm1 0.892 ppm2 4.221 CV 1 OR { 1014} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 10 and name HA )) OR { 1014} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 10 and name HA )) OR { 1014} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 16 and name HA )) ASSI { 1015} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 76 and name HA )) 4.200 2.200 1.800 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.73432E-03 ppm1 0.872 ppm2 4.487 CV 1 OR { 1015} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 76 and name HA )) ASSI { 1017} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 10 and name HA )) 3.100 1.200 1.200 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.12030E-02 ppm1 0.865 ppm2 4.214 CV 1 OR { 1017} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 51 and name HA )) ASSI { 1020} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 17 and name HB2 )) 4.500 2.500 1.500 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.31119E-03 ppm1 0.797 ppm2 4.062 CV 1 OR { 1020} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 23 and name HA2 )) ASSI { 1023} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 7 and name HA )) 3.000 1.100 1.100 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.36768E-02 ppm1 0.872 ppm2 3.882 CV 1 OR { 1023} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 75 and name HA )) OR { 1023} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 75 and name HA )) ASSI { 1039} ( segid " " and resid 33 and name HD2%) (( segid " " and resid 30 and name HB1 )) 3.000 1.100 1.100 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.16921E-02 ppm1 1.058 ppm2 3.291 CV 1 OR { 1039} ( segid " " and resid 33 and name HD2%) (( segid " " and resid 31 and name HA )) ASSI { 1040} ( segid " " and resid 33 and name HD2%) (( segid " " and resid 30 and name HB2 )) 3.600 1.600 1.600 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.14321E-02 ppm1 1.061 ppm2 3.010 CV 1 OR { 1040} ( segid " " and resid 33 and name HD2%) (( segid " " and resid 37 and name HB2 )) OR { 1040} ( segid " " and resid 33 and name HD2%) (( segid " " and resid 32 and name HB1 )) ASSI { 1050} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 53 and name HG1 )) 4.000 2.000 2.000 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.83357E-03 ppm1 0.873 ppm2 2.761 CV 1 OR { 1050} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 56 and name HB2 )) OR { 1050} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 79 and name HB2 )) OR { 1050} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 79 and name HB2 )) ASSI { 1051} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 30 and name HB2 )) 4.800 2.900 1.200 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.32051E-03 ppm1 0.802 ppm2 3.022 CV 1 OR { 1051} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 40 and name HB1 )) ASSI { 1053} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 74 and name HB1 )) 3.500 1.500 1.500 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.91041E-03 ppm1 0.875 ppm2 2.446 CV 1 OR { 1053} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 74 and name HB1 )) ASSI { 1054} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 75 and name HB1 )) 2.100 0.600 0.600 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.10704E-01 ppm1 0.869 ppm2 2.199 CV 1 OR { 1054} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 52 and name HB1 )) ASSI { 1056} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 75 and name HG )) 1.900 0.500 0.500 peak 1056 spectrum 1 weight 0.10000E+01 volume 0.22683E-01 ppm1 0.871 ppm2 1.686 CV 1 OR { 1056} ( segid " " and resid 52 and name HD1%) ( segid " " and resid 13 and name HB% ) ASSI { 1057} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 75 and name HB2 )) 2.300 0.700 0.700 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.84839E-02 ppm1 0.871 ppm2 1.545 CV 1 OR { 1057} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 10 and name HB2 )) OR { 1057} ( segid " " and resid 52 and name HD1%) ( segid " " and resid 49 and name HB% ) OR { 1057} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 10 and name HB2 )) ASSI { 1062} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 26 and name HB1 )) 2.700 0.900 0.900 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.34517E-02 ppm1 0.798 ppm2 1.448 CV 1 OR { 1062} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 14 and name HB2 )) ASSI { 1063} ( segid " " and resid 26 and name HD2%) ( segid " " and resid 13 and name HB% ) 4.300 2.300 1.700 peak 1063 spectrum 1 weight 0.10000E+01 volume 0.76287E-03 ppm1 0.792 ppm2 1.676 CV 1 OR { 1063} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 74 and name HB2 )) ASSI { 1074} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 82 and name HB2 )) 2.600 0.800 0.800 peak 1074 spectrum 1 weight 0.10000E+01 volume 0.36663E-02 ppm1 0.980 ppm2 1.554 CV 1 OR { 1074} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 5 and name HG )) ASSI { 1082} (( segid " " and resid 52 and name HG )) (( segid " " and resid 52 and name HB1 )) 3.000 1.100 1.100 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.19102E-02 ppm1 2.034 ppm2 2.216 CV 1 OR { 1082} (( segid " " and resid 52 and name HG )) (( segid " " and resid 51 and name HB1 )) ASSI { 1084} ( segid " " and resid 26 and name HD2%) ( segid " " and resid 15 and name HG2%) 3.000 1.100 1.100 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.24448E-02 ppm1 0.798 ppm2 1.124 CV 1 OR { 1084} ( segid " " and resid 26 and name HD2%) ( segid " " and resid 48 and name HG2%) ASSI { 1085} (( segid " " and resid 71 and name HG1 )) ( segid " " and resid 38 and name HD1%) 2.900 1.000 1.000 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.12852E-02 ppm1 2.179 ppm2 0.874 CV 1 OR { 1085} (( segid " " and resid 71 and name HG1 )) ( segid " " and resid 14 and name HD2%) ASSI { 1088} (( segid " " and resid 52 and name HG )) ( segid " " and resid 48 and name HG2%) 3.400 1.500 1.500 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.83615E-03 ppm1 2.037 ppm2 1.131 CV 1 OR { 1088} (( segid " " and resid 52 and name HG )) (( segid " " and resid 60 and name HG12)) ASSI { 1094} (( segid " " and resid 71 and name HG2 )) ( segid " " and resid 38 and name HD1%) 3.100 1.200 1.200 peak 1094 spectrum 1 weight 0.10000E+01 volume 0.12028E-02 ppm1 1.313 ppm2 0.879 CV 1 OR { 1094} (( segid " " and resid 71 and name HG2 )) ( segid " " and resid 14 and name HD2%) ASSI { 1104} (( segid " " and resid 55 and name HG2 )) (( segid " " and resid 56 and name HN )) 4.100 2.100 1.900 peak 1104 spectrum 1 weight 0.10000E+01 volume 0.73184E-03 ppm1 0.984 ppm2 8.096 CV 1 OR { 1104} (( segid " " and resid 55 and name HG2 )) (( segid " " and resid 55 and name HN )) ASSI { 1109} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 11 and name HE )) 3.300 1.400 1.400 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.11490E-02 ppm1 1.162 ppm2 7.322 CV 1 OR { 1109} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 30 and name HZ )) ASSI { 1112} (( segid " " and resid 11 and name HG1 )) (( segid " " and resid 11 and name HE )) 3.300 1.400 1.400 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.76933E-03 ppm1 1.399 ppm2 7.322 CV 1 OR { 1112} (( segid " " and resid 11 and name HG1 )) (( segid " " and resid 30 and name HZ )) ASSI { 1114} (( segid " " and resid 55 and name HG1 )) (( segid " " and resid 56 and name HN )) 3.700 1.700 1.700 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.15635E-02 ppm1 1.361 ppm2 8.096 CV 1 OR { 1114} (( segid " " and resid 55 and name HG1 )) (( segid " " and resid 55 and name HN )) ASSI { 1115} (( segid " " and resid 38 and name HG12)) (( segid " " and resid 38 and name HN )) 2.200 0.600 0.600 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.32257E-02 ppm1 1.537 ppm2 7.712 CV 1 OR { 1115} (( segid " " and resid 38 and name HG12)) (( segid " " and resid 39 and name HN )) ASSI { 1119} (( segid " " and resid 38 and name HG11)) (( segid " " and resid 38 and name HN )) 2.900 1.100 1.100 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.31991E-02 ppm1 1.826 ppm2 7.712 CV 1 OR { 1119} (( segid " " and resid 38 and name HG11)) (( segid " " and resid 39 and name HN )) ASSI { 1136} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 74 and name HN )) 4.800 2.900 1.200 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.34484E-03 ppm1 1.123 ppm2 7.710 CV 1 OR { 1136} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 13 and name HN )) ASSI { 1139} (( segid " " and resid 10 and name HG )) (( segid " " and resid 11 and name HN )) 4.300 2.300 1.700 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.32879E-03 ppm1 1.884 ppm2 8.835 CV 1 OR { 1139} (( segid " " and resid 14 and name HG )) (( segid " " and resid 11 and name HN )) ASSI { 1150} (( segid " " and resid 10 and name HG )) (( segid " " and resid 30 and name HZ )) 3.700 1.700 1.700 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.54723E-03 ppm1 1.889 ppm2 7.331 CV 1 OR { 1150} (( segid " " and resid 14 and name HG )) (( segid " " and resid 30 and name HZ )) ASSI { 1151} (( segid " " and resid 10 and name HG )) ( segid " " and resid 30 and name HE% ) 3.600 1.600 1.600 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.68769E-03 ppm1 1.890 ppm2 7.211 CV 1 OR { 1151} (( segid " " and resid 14 and name HG )) ( segid " " and resid 30 and name HE% ) ASSI { 1168} (( segid " " and resid 38 and name HG11)) (( segid " " and resid 35 and name HA )) 3.000 1.100 1.100 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.27641E-02 ppm1 1.826 ppm2 4.369 CV 1 OR { 1168} (( segid " " and resid 38 and name HG11)) (( segid " " and resid 36 and name HA )) ASSI { 1169} (( segid " " and resid 10 and name HG )) (( segid " " and resid 10 and name HA )) 3.400 1.400 1.400 peak 1169 spectrum 1 weight 0.10000E+01 volume 0.11016E-02 ppm1 1.880 ppm2 4.208 CV 1 OR { 1169} (( segid " " and resid 10 and name HG )) (( segid " " and resid 71 and name HA )) ASSI { 1170} (( segid " " and resid 14 and name HG )) (( segid " " and resid 14 and name HA )) 3.200 1.200 1.200 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.99566E-03 ppm1 1.881 ppm2 4.397 CV 1 OR { 1170} (( segid " " and resid 14 and name HG )) (( segid " " and resid 48 and name HB )) ASSI { 1187} (( segid " " and resid 45 and name HG )) (( segid " " and resid 42 and name HA )) 4.100 2.100 1.900 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.11088E-02 ppm1 1.349 ppm2 4.264 CV 1 OR { 1187} (( segid " " and resid 45 and name HG )) (( segid " " and resid 46 and name HA )) ASSI { 1188} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 75 and name HA )) 3.100 1.200 1.200 peak 1188 spectrum 1 weight 0.10000E+01 volume 0.22026E-02 ppm1 1.124 ppm2 3.880 CV 1 OR { 1188} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 7 and name HA )) ASSI { 1189} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 71 and name HA )) 3.200 1.200 1.200 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.22508E-02 ppm1 1.124 ppm2 4.220 CV 1 OR { 1189} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 10 and name HA )) ASSI { 1211} (( segid " " and resid 77 and name HG )) (( segid " " and resid 76 and name HB1 )) 3.000 1.100 1.100 peak 1211 spectrum 1 weight 0.10000E+01 volume 0.58425E-03 ppm1 1.826 ppm2 2.788 CV 1 OR { 1211} (( segid " " and resid 38 and name HG11)) (( segid " " and resid 40 and name HB2 )) OR { 1211} (( segid " " and resid 82 and name HG )) (( segid " " and resid 56 and name HB2 )) ASSI { 1220} (( segid " " and resid 45 and name HG )) (( segid " " and resid 40 and name HB2 )) 4.100 2.100 1.900 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.77645E-03 ppm1 1.348 ppm2 2.790 CV 1 OR { 1220} (( segid " " and resid 55 and name HG1 )) (( segid " " and resid 56 and name HB2 )) ASSI { 1221} (( segid " " and resid 55 and name HG1 )) (( segid " " and resid 55 and name HD1 )) 2.900 1.000 1.000 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.22664E-02 ppm1 1.359 ppm2 3.090 CV 1 OR { 1221} (( segid " " and resid 45 and name HG )) (( segid " " and resid 35 and name HB2 )) ASSI { 1222} (( segid " " and resid 55 and name HG1 )) (( segid " " and resid 55 and name HD2 )) 2.600 0.900 0.900 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.24760E-02 ppm1 1.361 ppm2 3.011 CV 1 OR { 1222} (( segid " " and resid 45 and name HG )) (( segid " " and resid 40 and name HB1 )) ASSI { 1240} (( segid " " and resid 10 and name HG )) ( segid " " and resid 10 and name HD2%) 2.200 0.600 0.600 peak 1240 spectrum 1 weight 0.10000E+01 volume 0.73695E-02 ppm1 1.891 ppm2 1.124 CV 1 OR { 1240} (( segid " " and resid 10 and name HG )) ( segid " " and resid 48 and name HG2%) ASSI { 1241} (( segid " " and resid 10 and name HG )) ( segid " " and resid 10 and name HD1%) 2.500 0.800 0.800 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.40131E-02 ppm1 1.886 ppm2 1.042 CV 1 OR { 1241} (( segid " " and resid 14 and name HG )) ( segid " " and resid 10 and name HD1%) OR { 1241} (( segid " " and resid 10 and name HG )) ( segid " " and resid 74 and name HD1%) ASSI { 1246} (( segid " " and resid 38 and name HG11)) ( segid " " and resid 38 and name HG2%) 3.500 1.500 1.500 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.20190E-02 ppm1 1.828 ppm2 1.054 CV 1 OR { 1246} (( segid " " and resid 77 and name HG )) ( segid " " and resid 74 and name HD1%) OR { 1246} (( segid " " and resid 77 and name HG )) ( segid " " and resid 74 and name HD2%) ASSI { 1249} (( segid " " and resid 38 and name HG11)) ( segid " " and resid 38 and name HD1%) 2.200 0.600 0.600 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.62789E-02 ppm1 1.828 ppm2 0.871 CV 1 OR { 1249} (( segid " " and resid 82 and name HG )) ( segid " " and resid 78 and name HG2%) ASSI { 1252} (( segid " " and resid 38 and name HG11)) (( segid " " and resid 38 and name HG12)) 1.600 0.300 0.600 peak 1252 spectrum 1 weight 0.10000E+01 volume 0.11847E-01 ppm1 1.826 ppm2 1.540 CV 1 OR { 1252} (( segid " " and resid 82 and name HG )) (( segid " " and resid 82 and name HB2 )) ASSI { 1255} (( segid " " and resid 5 and name HG )) (( segid " " and resid 5 and name HB2 )) 2.100 0.500 0.500 peak 1255 spectrum 1 weight 0.10000E+01 volume 0.72740E-02 ppm1 1.556 ppm2 1.358 CV 1 OR { 1255} (( segid " " and resid 38 and name HG12)) (( segid " " and resid 45 and name HG )) ASSI { 1268} ( segid " " and resid 10 and name HD2%) ( segid " " and resid 75 and name HD2%) 3.100 1.200 1.200 peak 1268 spectrum 1 weight 0.10000E+01 volume 0.39778E-02 ppm1 1.123 ppm2 0.868 CV 1 OR { 1268} ( segid " " and resid 10 and name HD2%) ( segid " " and resid 14 and name HD2%) OR { 1268} ( segid " " and resid 10 and name HD2%) ( segid " " and resid 52 and name HD1%) ASSI { 1269} ( segid " " and resid 10 and name HD2%) ( segid " " and resid 14 and name HD1%) 2.900 1.000 1.000 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.49344E-02 ppm1 1.124 ppm2 0.786 CV 1 OR { 1269} ( segid " " and resid 10 and name HD2%) ( segid " " and resid 75 and name HD1%) OR { 1269} ( segid " " and resid 10 and name HD2%) ( segid " " and resid 31 and name HD2%) ASSI { 1278} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 74 and name HB2 )) 3.800 1.800 1.800 peak 1278 spectrum 1 weight 0.10000E+01 volume 0.20481E-02 ppm1 1.123 ppm2 1.688 CV 1 OR { 1278} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 75 and name HG )) OR { 1278} ( segid " " and resid 10 and name HD2%) ( segid " " and resid 13 and name HB% ) ASSI { 1279} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 75 and name HB2 )) 2.200 0.600 0.600 peak 1279 spectrum 1 weight 0.10000E+01 volume 0.69156E-02 ppm1 1.124 ppm2 1.558 CV 1 OR { 1279} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 10 and name HB2 )) ASSI { 1281} (( segid " " and resid 31 and name HG )) (( segid " " and resid 31 and name HB1 )) 2.600 0.800 0.800 peak 1281 spectrum 1 weight 0.10000E+01 volume 0.33771E-02 ppm1 1.198 ppm2 1.628 CV 1 OR { 1281} (( segid " " and resid 31 and name HG )) (( segid " " and resid 72 and name HB2 )) ASSI { 1283} (( segid " " and resid 55 and name HG1 )) (( segid " " and resid 55 and name HB2 )) 2.400 0.700 0.700 peak 1283 spectrum 1 weight 0.10000E+01 volume 0.66558E-02 ppm1 1.355 ppm2 1.617 CV 1 OR { 1283} (( segid " " and resid 45 and name HG )) (( segid " " and resid 45 and name HB1 )) ASSI { 1287} (( segid " " and resid 82 and name HG )) (( segid " " and resid 82 and name HB1 )) 2.400 0.700 0.700 peak 1287 spectrum 1 weight 0.10000E+01 volume 0.87281E-02 ppm1 1.825 ppm2 2.026 CV 1 OR { 1287} (( segid " " and resid 77 and name HG )) (( segid " " and resid 77 and name HB1 )) ASSI { 1289} (( segid " " and resid 5 and name HG )) ( segid " " and resid 75 and name HD1%) 4.000 2.000 2.000 peak 1289 spectrum 1 weight 0.10000E+01 volume 0.14135E-02 ppm1 1.560 ppm2 0.794 CV 1 OR { 1289} (( segid " " and resid 38 and name HG12)) ( segid " " and resid 26 and name HD2%) OR { 1289} (( segid " " and resid 5 and name HG )) ( segid " " and resid 78 and name HD1%) ASSI { 1290} (( segid " " and resid 31 and name HG )) (( segid " " and resid 30 and name HN )) 4.300 2.300 1.700 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.69827E-03 ppm1 1.199 ppm2 8.041 CV 1 OR { 1290} (( segid " " and resid 31 and name HG )) (( segid " " and resid 32 and name HN )) ASSI { 1299} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 50 and name HN )) 4.700 2.800 1.300 peak 1299 spectrum 1 weight 0.10000E+01 volume 0.35055E-03 ppm1 2.343 ppm2 8.221 CV 1 OR { 1299} (( segid " " and resid 47 and name HB1 )) (( segid " " and resid 46 and name HN )) OR { 1299} (( segid " " and resid 47 and name HB1 )) (( segid " " and resid 50 and name HN )) ASSI { 1307} (( segid " " and resid 34 and name HG1 )) (( segid " " and resid 34 and name HN )) 2.900 1.000 1.000 peak 1307 spectrum 1 weight 0.10000E+01 volume 0.18779E-02 ppm1 1.940 ppm2 8.456 CV 1 OR { 1307} (( segid " " and resid 34 and name HG1 )) (( segid " " and resid 35 and name HN )) ASSI { 1311} (( segid " " and resid 34 and name HG2 )) (( segid " " and resid 34 and name HN )) 3.800 1.800 1.800 peak 1311 spectrum 1 weight 0.10000E+01 volume 0.13921E-02 ppm1 1.624 ppm2 8.457 CV 1 OR { 1311} (( segid " " and resid 34 and name HG2 )) (( segid " " and resid 35 and name HN )) ASSI { 1328} (( segid " " and resid 53 and name HB1 )) (( segid " " and resid 53 and name HA )) 2.600 0.900 0.900 peak 1328 spectrum 1 weight 0.10000E+01 volume 0.23310E-02 ppm1 2.505 ppm2 4.088 CV 1 OR { 1328} (( segid " " and resid 53 and name HB1 )) (( segid " " and resid 54 and name HB1 )) OR { 1328} (( segid " " and resid 53 and name HB1 )) (( segid " " and resid 54 and name HB2 )) OR { 1328} (( segid " " and resid 53 and name HB1 )) (( segid " " and resid 57 and name HA2 )) ASSI { 1329} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 50 and name HA )) 2.700 0.900 0.900 peak 1329 spectrum 1 weight 0.10000E+01 volume 0.32859E-02 ppm1 2.340 ppm2 4.237 CV 1 OR { 1329} (( segid " " and resid 47 and name HB1 )) (( segid " " and resid 47 and name HA )) ASSI { 1330} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 53 and name HA )) 3.100 1.200 1.200 peak 1330 spectrum 1 weight 0.10000E+01 volume 0.19659E-02 ppm1 2.355 ppm2 4.089 CV 1 OR { 1330} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 54 and name HB1 )) OR { 1330} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 54 and name HB2 )) ASSI { 1351} (( segid " " and resid 51 and name HG1 )) (( segid " " and resid 48 and name HA )) 5.000 3.100 1.000 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.27413E-03 ppm1 1.982 ppm2 3.957 CV 1 OR { 1351} (( segid " " and resid 51 and name HG1 )) (( segid " " and resid 49 and name HA )) ASSI { 1357} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 53 and name HB1 )) 2.000 0.500 0.500 peak 1357 spectrum 1 weight 0.10000E+01 volume 0.60320E-02 ppm1 2.343 ppm2 2.479 CV 1 OR { 1357} (( segid " " and resid 47 and name HB1 )) (( segid " " and resid 47 and name HG2 )) ASSI { 1370} (( segid " " and resid 78 and name HG11)) (( segid " " and resid 78 and name HB )) 2.500 0.800 0.800 peak 1370 spectrum 1 weight 0.10000E+01 volume 0.31497E-02 ppm1 1.729 ppm2 1.931 CV 1 OR { 1370} (( segid " " and resid 78 and name HG11)) (( segid " " and resid 77 and name HB2 )) ASSI { 1378} (( segid " " and resid 78 and name HG12)) (( segid " " and resid 78 and name HB )) 2.600 0.800 0.800 peak 1378 spectrum 1 weight 0.10000E+01 volume 0.21248E-02 ppm1 1.283 ppm2 1.930 CV 1 OR { 1378} (( segid " " and resid 78 and name HG12)) (( segid " " and resid 77 and name HB2 )) ASSI { 1379} (( segid " " and resid 53 and name HB2 )) ( segid " " and resid 50 and name HB% ) 4.400 2.500 1.600 peak 1379 spectrum 1 weight 0.10000E+01 volume 0.58451E-03 ppm1 2.345 ppm2 1.647 CV 1 OR { 1379} (( segid " " and resid 47 and name HB1 )) ( segid " " and resid 50 and name HB% ) ASSI { 1380} (( segid " " and resid 47 and name HB1 )) ( segid " " and resid 44 and name HB% ) 3.800 1.900 1.900 peak 1380 spectrum 1 weight 0.10000E+01 volume 0.52146E-03 ppm1 2.339 ppm2 1.519 CV 1 OR { 1380} (( segid " " and resid 53 and name HB2 )) ( segid " " and resid 49 and name HB% ) OR { 1380} (( segid " " and resid 47 and name HB1 )) ( segid " " and resid 49 and name HB% ) ASSI { 1385} (( segid " " and resid 78 and name HG11)) ( segid " " and resid 74 and name HD2%) 3.300 1.400 1.400 peak 1385 spectrum 1 weight 0.10000E+01 volume 0.14489E-02 ppm1 1.725 ppm2 1.059 CV 1 OR { 1385} (( segid " " and resid 78 and name HG11)) ( segid " " and resid 10 and name HD1%) OR { 1385} (( segid " " and resid 78 and name HG11)) ( segid " " and resid 52 and name HD2%) OR { 1385} (( segid " " and resid 78 and name HG11)) ( segid " " and resid 74 and name HD1%) ASSI { 1394} (( segid " " and resid 53 and name HB1 )) ( segid " " and resid 50 and name HB% ) 5.700 4.000 0.300 peak 1394 spectrum 1 weight 0.10000E+01 volume 0.28947E-03 ppm1 2.507 ppm2 1.649 CV 1 OR { 1394} (( segid " " and resid 53 and name HB1 )) ( segid " " and resid 81 and name HB% ) ASSI { 1395} (( segid " " and resid 53 and name HB1 )) ( segid " " and resid 49 and name HB% ) 5.600 3.900 0.400 peak 1395 spectrum 1 weight 0.10000E+01 volume 0.23627E-03 ppm1 2.511 ppm2 1.499 CV 1 OR { 1395} (( segid " " and resid 53 and name HB1 )) (( segid " " and resid 60 and name HG11)) ASSI { 1404} (( segid " " and resid 34 and name HB1 )) (( segid " " and resid 35 and name HN )) 3.100 1.200 1.200 peak 1404 spectrum 1 weight 0.10000E+01 volume 0.13893E-02 ppm1 2.184 ppm2 8.447 CV 1 OR { 1404} (( segid " " and resid 34 and name HB1 )) (( segid " " and resid 34 and name HN )) ASSI { 1406} (( segid " " and resid 20 and name HB1 )) (( segid " " and resid 20 and name HN )) 3.500 1.500 1.500 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.18068E-02 ppm1 2.233 ppm2 8.477 CV 1 OR { 1406} (( segid " " and resid 20 and name HB1 )) (( segid " " and resid 22 and name HN )) ASSI { 1419} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 34 and name HN )) 3.100 1.200 1.200 peak 1419 spectrum 1 weight 0.10000E+01 volume 0.12083E-02 ppm1 1.853 ppm2 8.459 CV 1 OR { 1419} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 35 and name HN )) ASSI { 1425} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 52 and name HN )) 3.800 1.800 1.800 peak 1425 spectrum 1 weight 0.10000E+01 volume 0.11204E-02 ppm1 2.032 ppm2 8.413 CV 1 OR { 1425} (( segid " " and resid 12 and name HB1 )) (( segid " " and resid 14 and name HN )) OR { 1425} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 14 and name HN )) OR { 1425} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 14 and name HN )) ASSI { 1426} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 8 and name HN )) 4.300 2.300 1.700 peak 1426 spectrum 1 weight 0.10000E+01 volume 0.55363E-03 ppm1 2.035 ppm2 8.233 CV 1 OR { 1426} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 8 and name HN )) OR { 1426} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 16 and name HN )) OR { 1426} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 50 and name HN )) OR { 1426} (( segid " " and resid 12 and name HB1 )) (( segid " " and resid 16 and name HN )) OR { 1426} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 27 and name HN )) ASSI { 1432} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 73 and name HN )) 2.700 0.900 0.900 peak 1432 spectrum 1 weight 0.10000E+01 volume 0.28772E-02 ppm1 2.269 ppm2 7.829 CV 1 OR { 1432} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 17 and name HN )) OR { 1432} (( segid " " and resid 84 and name HB1 )) (( segid " " and resid 85 and name HN )) ASSI { 1436} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 17 and name HN )) 3.100 1.200 1.200 peak 1436 spectrum 1 weight 0.10000E+01 volume 0.11592E-02 ppm1 2.138 ppm2 7.817 CV 1 OR { 1436} (( segid " " and resid 84 and name HB2 )) (( segid " " and resid 85 and name HN )) ASSI { 1439} (( segid " " and resid 34 and name HB1 )) (( segid " " and resid 37 and name HN )) 4.300 2.300 1.700 peak 1439 spectrum 1 weight 0.10000E+01 volume 0.42414E-03 ppm1 2.186 ppm2 7.560 CV 1 OR { 1439} (( segid " " and resid 51 and name HB1 )) (( segid " " and resid 51 and name HE )) ASSI { 1446} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 37 and name HB2 )) 3.000 1.200 1.200 peak 1446 spectrum 1 weight 0.10000E+01 volume 0.11621E-02 ppm1 1.867 ppm2 3.016 CV 1 OR { 1446} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 72 and name HD2 )) ASSI { 1448} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 55 and name HD2 )) 3.100 1.200 1.200 peak 1448 spectrum 1 weight 0.10000E+01 volume 0.13484E-02 ppm1 1.605 ppm2 3.018 CV 1 OR { 1448} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 72 and name HD2 )) ASSI { 1462} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 16 and name HA )) 2.500 0.800 0.800 peak 1462 spectrum 1 weight 0.10000E+01 volume 0.45535E-02 ppm1 2.266 ppm2 4.223 CV 1 OR { 1462} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 73 and name HA )) ASSI { 1468} (( segid " " and resid 51 and name HB1 )) (( segid " " and resid 48 and name HA )) 3.500 1.600 1.600 peak 1468 spectrum 1 weight 0.10000E+01 volume 0.73576E-03 ppm1 2.204 ppm2 3.957 CV 1 OR { 1468} (( segid " " and resid 51 and name HB1 )) (( segid " " and resid 49 and name HA )) ASSI { 1471} (( segid " " and resid 51 and name HB1 )) (( segid " " and resid 51 and name HD2 )) 3.700 1.700 1.700 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.74470E-03 ppm1 2.180 ppm2 3.331 CV 1 OR { 1471} (( segid " " and resid 34 and name HB1 )) (( segid " " and resid 34 and name HD2 )) ASSI { 1473} (( segid " " and resid 12 and name HB1 )) (( segid " " and resid 8 and name HB1 )) 3.500 1.600 1.600 peak 1473 spectrum 1 weight 0.10000E+01 volume 0.53385E-03 ppm1 2.026 ppm2 2.702 CV 1 OR { 1473} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 8 and name HB2 )) OR { 1473} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 8 and name HB1 )) OR { 1473} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 9 and name HB2 )) ASSI { 1478} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 73 and name HG1 )) 2.500 0.800 0.800 peak 1478 spectrum 1 weight 0.10000E+01 volume 0.48337E-02 ppm1 2.265 ppm2 2.627 CV 1 OR { 1478} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 16 and name HG1 )) ASSI { 1481} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 73 and name HB1 )) 1.700 0.400 0.500 peak 1481 spectrum 1 weight 0.10000E+01 volume 0.15441E-01 ppm1 2.274 ppm2 2.474 CV 1 OR { 1481} (( segid " " and resid 84 and name HB1 )) (( segid " " and resid 84 and name HG2 )) ASSI { 1482} (( segid " " and resid 20 and name HB1 )) (( segid " " and resid 20 and name HG2 )) 2.300 0.700 0.700 peak 1482 spectrum 1 weight 0.10000E+01 volume 0.12193E-01 ppm1 2.245 ppm2 2.405 CV 1 OR { 1482} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 16 and name HG2 )) OR { 1482} (( segid " " and resid 20 and name HB1 )) (( segid " " and resid 20 and name HG1 )) ASSI { 1489} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 11 and name HG1 )) 2.700 0.900 0.900 peak 1489 spectrum 1 weight 0.10000E+01 volume 0.24549E-02 ppm1 2.043 ppm2 1.400 CV 1 OR { 1489} (( segid " " and resid 11 and name HB1 )) ( segid " " and resid 7 and name HG2%) OR { 1489} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 11 and name HG1 )) OR { 1489} (( segid " " and resid 11 and name HB2 )) ( segid " " and resid 7 and name HG2%) ASSI { 1494} (( segid " " and resid 84 and name HB1 )) (( segid " " and resid 84 and name HB2 )) 1.500 0.300 0.700 peak 1494 spectrum 1 weight 0.10000E+01 volume 0.32221E-01 ppm1 2.270 ppm2 2.127 CV 1 OR { 1494} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 16 and name HB2 )) ASSI { 1501} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 11 and name HG2 )) 2.800 1.000 1.000 peak 1501 spectrum 1 weight 0.10000E+01 volume 0.24303E-02 ppm1 2.044 ppm2 1.154 CV 1 OR { 1501} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 11 and name HG2 )) OR { 1501} (( segid " " and resid 51 and name HB2 )) ( segid " " and resid 48 and name HG2%) OR { 1501} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 11 and name HG2 )) ASSI { 1515} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 55 and name HN )) 2.200 0.600 0.600 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.51322E-02 ppm1 1.895 ppm2 8.096 CV 1 OR { 1515} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 56 and name HN )) ASSI { 1516} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 55 and name HN )) 2.700 0.900 0.900 peak 1516 spectrum 1 weight 0.10000E+01 volume 0.38589E-02 ppm1 1.614 ppm2 8.098 CV 1 OR { 1516} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 56 and name HN )) ASSI { 1520} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 30 and name HZ )) 3.200 1.300 1.300 peak 1520 spectrum 1 weight 0.10000E+01 volume 0.16666E-02 ppm1 2.048 ppm2 7.327 CV 1 OR { 1520} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 11 and name HE )) OR { 1520} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 11 and name HE )) OR { 1520} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 30 and name HZ )) ASSI { 1527} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 55 and name HA )) 2.800 1.000 1.000 peak 1527 spectrum 1 weight 0.10000E+01 volume 0.44336E-02 ppm1 1.895 ppm2 4.091 CV 1 OR { 1527} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 54 and name HB1 )) ASSI { 1588} (( segid " " and resid 46 and name HB1 )) (( segid " " and resid 46 and name HA )) 2.500 0.800 0.800 peak 1588 spectrum 1 weight 0.10000E+01 volume 0.57816E-02 ppm1 2.314 ppm2 4.260 CV 1 OR { 1588} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 46 and name HA )) OR { 1588} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 42 and name HA )) OR { 1588} (( segid " " and resid 46 and name HB1 )) (( segid " " and resid 42 and name HA )) ASSI { 1594} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 66 and name HA2 )) 4.400 2.400 1.600 peak 1594 spectrum 1 weight 0.10000E+01 volume 0.37429E-03 ppm1 2.836 ppm2 3.888 CV 1 OR { 1594} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 45 and name HA )) ASSI { 1595} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 66 and name HA2 )) 4.400 2.400 1.600 peak 1595 spectrum 1 weight 0.10000E+01 volume 0.33765E-03 ppm1 2.749 ppm2 3.895 CV 1 OR { 1595} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 45 and name HA )) ASSI { 1596} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 46 and name HA )) 2.800 0.900 0.900 peak 1596 spectrum 1 weight 0.10000E+01 volume 0.28341E-02 ppm1 2.837 ppm2 4.259 CV 1 OR { 1596} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 42 and name HA )) ASSI { 1597} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 42 and name HA )) 2.800 0.900 0.900 peak 1597 spectrum 1 weight 0.10000E+01 volume 0.29133E-02 ppm1 2.750 ppm2 4.257 CV 1 OR { 1597} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 46 and name HA )) ASSI { 1610} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 47 and name HB2 )) 4.800 2.900 1.200 peak 1610 spectrum 1 weight 0.10000E+01 volume 0.72512E-03 ppm1 2.751 ppm2 2.188 CV 1 OR { 1610} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 64 and name HB )) ASSI { 1611} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 64 and name HB )) 5.100 3.300 0.900 peak 1611 spectrum 1 weight 0.10000E+01 volume 0.41282E-03 ppm1 2.836 ppm2 2.185 CV 1 OR { 1611} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 47 and name HB2 )) ASSI { 1620} (( segid " " and resid 71 and name HB1 )) ( segid " " and resid 14 and name HD2%) 3.100 1.200 1.200 peak 1620 spectrum 1 weight 0.10000E+01 volume 0.12994E-02 ppm1 2.248 ppm2 0.887 CV 1 OR { 1620} (( segid " " and resid 71 and name HB1 )) ( segid " " and resid 38 and name HD1%) OR { 1620} (( segid " " and resid 71 and name HB1 )) ( segid " " and resid 75 and name HD2%) ASSI { 1621} (( segid " " and resid 64 and name HB )) ( segid " " and resid 64 and name HG2%) 2.000 0.500 0.500 peak 1621 spectrum 1 weight 0.10000E+01 volume 0.11437E-01 ppm1 2.209 ppm2 1.008 CV 1 OR { 1621} (( segid " " and resid 64 and name HB )) ( segid " " and resid 60 and name HG2%) ASSI { 1627} (( segid " " and resid 46 and name HG1 )) ( segid " " and resid 42 and name H31%) 3.500 1.600 1.600 peak 1627 spectrum 1 weight 0.10000E+01 volume 0.46962E-03 ppm1 2.838 ppm2 1.065 CV 1 OR { 1627} (( segid " " and resid 46 and name HG1 )) ( segid " " and resid 43 and name HD2%) OR { 1627} (( segid " " and resid 46 and name HG1 )) ( segid " " and resid 74 and name HD1%) OR { 1627} (( segid " " and resid 46 and name HG1 )) ( segid " " and resid 74 and name HD2%) ASSI { 1628} (( segid " " and resid 46 and name HG2 )) ( segid " " and resid 43 and name HD2%) 4.000 2.000 2.000 peak 1628 spectrum 1 weight 0.10000E+01 volume 0.44375E-03 ppm1 2.756 ppm2 1.060 CV 1 OR { 1628} (( segid " " and resid 46 and name HG2 )) ( segid " " and resid 42 and name H31%) OR { 1628} (( segid " " and resid 46 and name HG2 )) ( segid " " and resid 74 and name HD1%) OR { 1628} (( segid " " and resid 46 and name HG2 )) ( segid " " and resid 74 and name HD2%) OR { 1628} (( segid " " and resid 46 and name HG2 )) ( segid " " and resid 64 and name HG2%) ASSI { 1629} (( segid " " and resid 46 and name HG1 )) ( segid " " and resid 42 and name H30%) 4.300 2.300 1.700 peak 1629 spectrum 1 weight 0.10000E+01 volume 0.40478E-03 ppm1 2.837 ppm2 0.967 CV 1 OR { 1629} (( segid " " and resid 46 and name HG1 )) ( segid " " and resid 64 and name HG1%) OR { 1629} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 74 and name HG )) OR { 1629} (( segid " " and resid 46 and name HG1 )) ( segid " " and resid 77 and name HD1%) ASSI { 1630} (( segid " " and resid 46 and name HG2 )) ( segid " " and resid 42 and name H30%) 4.500 2.600 1.500 peak 1630 spectrum 1 weight 0.10000E+01 volume 0.42388E-03 ppm1 2.750 ppm2 0.960 CV 1 OR { 1630} (( segid " " and resid 46 and name HG2 )) ( segid " " and resid 64 and name HG1%) OR { 1630} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 74 and name HG )) OR { 1630} (( segid " " and resid 46 and name HG2 )) ( segid " " and resid 77 and name HD1%) ASSI { 1635} (( segid " " and resid 46 and name HG1 )) ( segid " " and resid 49 and name HB% ) 5.100 3.300 0.900 peak 1635 spectrum 1 weight 0.10000E+01 volume 0.38637E-03 ppm1 2.838 ppm2 1.520 CV 1 OR { 1635} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 45 and name HB2 )) ASSI { 1636} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 45 and name HB2 )) 4.200 2.200 1.800 peak 1636 spectrum 1 weight 0.10000E+01 volume 0.35064E-03 ppm1 2.754 ppm2 1.512 CV 1 OR { 1636} (( segid " " and resid 46 and name HG2 )) ( segid " " and resid 49 and name HB% ) OR { 1636} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 60 and name HG11)) ASSI { 1656} (( segid " " and resid 68 and name HB )) (( segid " " and resid 74 and name HG )) 5.100 3.300 0.900 peak 1656 spectrum 1 weight 0.10000E+01 volume 0.30924E-03 ppm1 2.413 ppm2 0.979 CV 1 OR { 1656} (( segid " " and resid 68 and name HB )) ( segid " " and resid 64 and name HG1%) OR { 1656} (( segid " " and resid 68 and name HB )) ( segid " " and resid 77 and name HD1%) ASSI { 1666} (( segid " " and resid 68 and name HB )) (( segid " " and resid 70 and name HN )) 3.300 1.400 1.400 peak 1666 spectrum 1 weight 0.10000E+01 volume 0.98632E-03 ppm1 2.401 ppm2 7.473 CV 1 OR { 1666} (( segid " " and resid 68 and name HB )) (( segid " " and resid 67 and name HN )) ASSI { 1686} (( segid " " and resid 53 and name HG1 )) (( segid " " and resid 53 and name HA )) 3.100 1.200 1.200 peak 1686 spectrum 1 weight 0.10000E+01 volume 0.18983E-02 ppm1 2.762 ppm2 4.090 CV 1 OR { 1686} (( segid " " and resid 53 and name HG1 )) (( segid " " and resid 57 and name HA2 )) ASSI { 1694} (( segid " " and resid 53 and name HG2 )) (( segid " " and resid 53 and name HA )) 2.600 0.900 0.900 peak 1694 spectrum 1 weight 0.10000E+01 volume 0.22956E-02 ppm1 2.312 ppm2 4.090 CV 1 OR { 1694} (( segid " " and resid 53 and name HG2 )) (( segid " " and resid 57 and name HA2 )) ASSI { 1708} (( segid " " and resid 53 and name HG1 )) ( segid " " and resid 49 and name HB% ) 3.700 1.700 1.700 peak 1708 spectrum 1 weight 0.10000E+01 volume 0.40364E-03 ppm1 2.762 ppm2 1.499 CV 1 OR { 1708} (( segid " " and resid 53 and name HG1 )) (( segid " " and resid 60 and name HG11)) ASSI { 1716} (( segid " " and resid 53 and name HG2 )) ( segid " " and resid 60 and name HD1%) 4.100 2.100 1.900 peak 1716 spectrum 1 weight 0.10000E+01 volume 0.73437E-03 ppm1 2.308 ppm2 0.824 CV 1 OR { 1716} (( segid " " and resid 53 and name HG2 )) ( segid " " and resid 78 and name HD1%) ASSI { 1718} (( segid " " and resid 53 and name HG1 )) ( segid " " and resid 60 and name HD1%) 3.900 1.900 1.900 peak 1718 spectrum 1 weight 0.10000E+01 volume 0.86915E-03 ppm1 2.762 ppm2 0.824 CV 1 OR { 1718} (( segid " " and resid 53 and name HG1 )) ( segid " " and resid 78 and name HD1%) ASSI { 1742} (( segid " " and resid 73 and name HG2 )) (( segid " " and resid 69 and name HN )) 3.500 3.500 2.500 peak 1742 spectrum 1 weight 0.10000E+01 volume 0.28121E-03 ppm1 2.510 ppm2 9.095 CV 1 OR { 1742} (( segid " " and resid 73 and name HG2 )) (( segid " " and resid 72 and name HE )) ASSI { 1743} (( segid " " and resid 20 and name HG1 )) (( segid " " and resid 20 and name HN )) 3.500 1.600 1.600 peak 1743 spectrum 1 weight 0.10000E+01 volume 0.16866E-02 ppm1 2.405 ppm2 8.479 CV 1 OR { 1743} (( segid " " and resid 20 and name HG2 )) (( segid " " and resid 20 and name HN )) OR { 1743} (( segid " " and resid 20 and name HG1 )) (( segid " " and resid 22 and name HN )) ASSI { 1760} (( segid " " and resid 16 and name HG1 )) (( segid " " and resid 13 and name HA )) 4.300 2.300 1.700 peak 1760 spectrum 1 weight 0.10000E+01 volume 0.45953E-03 ppm1 2.617 ppm2 4.395 CV 1 OR { 1760} (( segid " " and resid 16 and name HG1 )) (( segid " " and resid 14 and name HA )) ASSI { 1762} (( segid " " and resid 16 and name HG2 )) (( segid " " and resid 13 and name HA )) 4.100 2.100 1.900 peak 1762 spectrum 1 weight 0.10000E+01 volume 0.49503E-03 ppm1 2.392 ppm2 4.399 CV 1 OR { 1762} (( segid " " and resid 16 and name HG2 )) (( segid " " and resid 14 and name HA )) ASSI { 1790} (( segid " " and resid 16 and name HG2 )) (( segid " " and resid 16 and name HB1 )) 2.800 1.000 1.000 peak 1790 spectrum 1 weight 0.10000E+01 volume 0.47452E-02 ppm1 2.391 ppm2 2.258 CV 1 OR { 1790} (( segid " " and resid 16 and name HG2 )) (( segid " " and resid 15 and name HB )) ASSI { 1791} (( segid " " and resid 16 and name HG1 )) (( segid " " and resid 16 and name HB1 )) 2.600 0.900 0.900 peak 1791 spectrum 1 weight 0.10000E+01 volume 0.45773E-02 ppm1 2.619 ppm2 2.259 CV 1 OR { 1791} (( segid " " and resid 16 and name HG1 )) (( segid " " and resid 15 and name HB )) ASSI { 1806} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 35 and name HN )) 3.800 1.800 1.800 peak 1806 spectrum 1 weight 0.10000E+01 volume 0.12783E-02 ppm1 3.581 ppm2 8.456 CV 1 OR { 1806} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 45 and name HN )) ASSI { 1824} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 35 and name HA )) 2.400 0.700 0.700 peak 1824 spectrum 1 weight 0.10000E+01 volume 0.31053E-02 ppm1 3.580 ppm2 4.368 CV 1 OR { 1824} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 36 and name HA )) ASSI { 1825} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 35 and name HA )) 2.900 1.100 1.100 peak 1825 spectrum 1 weight 0.10000E+01 volume 0.23539E-02 ppm1 3.090 ppm2 4.369 CV 1 OR { 1825} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 36 and name HA )) ASSI { 1834} (( segid " " and resid 79 and name HB2 )) ( segid " " and resid 4 and name HD2%) 5.000 3.100 1.000 peak 1834 spectrum 1 weight 0.10000E+01 volume 0.53592E-03 ppm1 2.772 ppm2 0.959 CV 1 OR { 1834} (( segid " " and resid 79 and name HB2 )) ( segid " " and resid 82 and name HD1%) ASSI { 1835} (( segid " " and resid 79 and name HB2 )) ( segid " " and resid 4 and name HD1%) 3.800 1.800 1.800 peak 1835 spectrum 1 weight 0.10000E+01 volume 0.73194E-03 ppm1 2.762 ppm2 0.881 CV 1 OR { 1835} (( segid " " and resid 79 and name HB2 )) ( segid " " and resid 78 and name HG2%) OR { 1835} (( segid " " and resid 79 and name HB2 )) ( segid " " and resid 75 and name HD2%) ASSI { 1837} (( segid " " and resid 79 and name HB1 )) ( segid " " and resid 4 and name HD1%) 3.900 1.900 1.900 peak 1837 spectrum 1 weight 0.10000E+01 volume 0.58146E-03 ppm1 3.090 ppm2 0.878 CV 1 OR { 1837} (( segid " " and resid 79 and name HB1 )) ( segid " " and resid 78 and name HG2%) ASSI { 1845} (( segid " " and resid 78 and name HB )) ( segid " " and resid 78 and name HG2%) 2.600 0.800 0.800 peak 1845 spectrum 1 weight 0.10000E+01 volume 0.27659E-02 ppm1 1.948 ppm2 0.863 CV 1 OR { 1845} (( segid " " and resid 78 and name HB )) ( segid " " and resid 52 and name HD1%) ASSI { 1853} (( segid " " and resid 56 and name HB1 )) ( segid " " and resid 82 and name HD1%) 2.600 0.800 0.800 peak 1853 spectrum 1 weight 0.10000E+01 volume 0.34654E-02 ppm1 3.454 ppm2 0.976 CV 1 OR { 1853} (( segid " " and resid 56 and name HB1 )) ( segid " " and resid 82 and name HD2%) OR { 1853} (( segid " " and resid 56 and name HB1 )) ( segid " " and resid 58 and name HG2%) ASSI { 1855} (( segid " " and resid 56 and name HB2 )) ( segid " " and resid 82 and name HD1%) 3.000 1.100 1.100 peak 1855 spectrum 1 weight 0.10000E+01 volume 0.30779E-02 ppm1 2.785 ppm2 0.972 CV 1 OR { 1855} (( segid " " and resid 56 and name HB2 )) ( segid " " and resid 58 and name HG2%) OR { 1855} (( segid " " and resid 56 and name HB2 )) ( segid " " and resid 82 and name HD2%) ASSI { 1866} (( segid " " and resid 56 and name HB1 )) ( segid " " and resid 81 and name HB% ) 5.300 3.600 0.700 peak 1866 spectrum 1 weight 0.10000E+01 volume 0.25786E-03 ppm1 3.455 ppm2 1.608 CV 1 OR { 1866} (( segid " " and resid 56 and name HB1 )) (( segid " " and resid 5 and name HB1 )) ASSI { 1868} (( segid " " and resid 56 and name HB1 )) (( segid " " and resid 57 and name HA2 )) 4.500 2.500 1.500 peak 1868 spectrum 1 weight 0.10000E+01 volume 0.56292E-03 ppm1 3.453 ppm2 4.090 CV 1 OR { 1868} (( segid " " and resid 56 and name HB1 )) (( segid " " and resid 57 and name HA1 )) OR { 1868} (( segid " " and resid 56 and name HB1 )) (( segid " " and resid 53 and name HA )) OR { 1868} (( segid " " and resid 56 and name HB1 )) (( segid " " and resid 55 and name HA )) ASSI { 1869} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 53 and name HA )) 4.600 2.700 1.400 peak 1869 spectrum 1 weight 0.10000E+01 volume 0.30322E-03 ppm1 2.783 ppm2 4.081 CV 1 OR { 1869} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 57 and name HA2 )) OR { 1869} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 57 and name HA1 )) OR { 1869} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 55 and name HA )) ASSI { 1892} (( segid " " and resid 38 and name HB )) (( segid " " and resid 38 and name HN )) 3.500 1.600 1.600 peak 1892 spectrum 1 weight 0.10000E+01 volume 0.16188E-02 ppm1 2.452 ppm2 7.715 CV 1 OR { 1892} (( segid " " and resid 38 and name HB )) (( segid " " and resid 39 and name HN )) ASSI { 1912} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 33 and name HN )) 4.600 2.700 1.400 peak 1912 spectrum 1 weight 0.10000E+01 volume 0.60098E-03 ppm1 3.289 ppm2 7.203 CV 1 OR { 1912} (( segid " " and resid 30 and name HB1 )) ( segid " " and resid 30 and name HE% ) ASSI { 1914} (( segid " " and resid 30 and name HB2 )) ( segid " " and resid 30 and name HE% ) 4.100 2.100 1.900 peak 1914 spectrum 1 weight 0.10000E+01 volume 0.77191E-03 ppm1 3.012 ppm2 7.197 CV 1 OR { 1914} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 33 and name HN )) ASSI { 1920} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 40 and name HN )) 3.000 1.100 1.100 peak 1920 spectrum 1 weight 0.10000E+01 volume 0.44040E-02 ppm1 3.010 ppm2 8.051 CV 1 OR { 1920} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 30 and name HN )) ASSI { 1923} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 30 and name HN )) 3.100 1.200 1.200 peak 1923 spectrum 1 weight 0.10000E+01 volume 0.14806E-02 ppm1 3.291 ppm2 8.039 CV 1 OR { 1923} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 32 and name HN )) ASSI { 1926} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 38 and name HN )) 5.800 4.100 0.200 peak 1926 spectrum 1 weight 0.10000E+01 volume 0.32308E-03 ppm1 3.007 ppm2 7.720 CV 1 OR { 1926} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 39 and name HN )) ASSI { 1935} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 35 and name HA )) 3.400 1.400 1.400 peak 1935 spectrum 1 weight 0.10000E+01 volume 0.20083E-02 ppm1 3.012 ppm2 4.364 CV 1 OR { 1935} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 26 and name HA )) ASSI { 1945} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 35 and name HA )) 3.200 1.300 1.300 peak 1945 spectrum 1 weight 0.10000E+01 volume 0.44398E-03 ppm1 2.780 ppm2 4.369 CV 1 OR { 1945} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 36 and name HA )) ASSI { 1951} (( segid " " and resid 60 and name HB )) (( segid " " and resid 61 and name HD1 )) 4.200 2.200 1.800 peak 1951 spectrum 1 weight 0.10000E+01 volume 0.98756E-03 ppm1 1.785 ppm2 4.007 CV 1 OR { 1951} (( segid " " and resid 60 and name HB )) (( segid " " and resid 65 and name HA )) ASSI { 1953} (( segid " " and resid 60 and name HB )) (( segid " " and resid 53 and name HG1 )) 4.300 2.300 1.700 peak 1953 spectrum 1 weight 0.10000E+01 volume 0.20382E-03 ppm1 1.783 ppm2 2.750 CV 1 OR { 1953} (( segid " " and resid 60 and name HB )) (( segid " " and resid 46 and name HG2 )) ASSI { 1954} (( segid " " and resid 60 and name HB )) (( segid " " and resid 53 and name HG2 )) 4.100 2.100 1.900 peak 1954 spectrum 1 weight 0.10000E+01 volume 0.33373E-03 ppm1 1.783 ppm2 2.321 CV 1 OR { 1954} (( segid " " and resid 60 and name HB )) (( segid " " and resid 46 and name HB1 )) ASSI { 1955} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 29 and name HB1 )) 4.000 2.000 2.000 peak 1955 spectrum 1 weight 0.10000E+01 volume 0.32201E-03 ppm1 3.287 ppm2 2.897 CV 1 OR { 1955} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 25 and name HB1 )) ASSI { 1959} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 38 and name HG12)) 2.900 1.000 1.000 peak 1959 spectrum 1 weight 0.10000E+01 volume 0.11715E-02 ppm1 3.010 ppm2 1.518 CV 1 OR { 1959} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 45 and name HB2 )) OR { 1959} (( segid " " and resid 40 and name HB1 )) ( segid " " and resid 44 and name HB% ) ASSI { 1960} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 45 and name HB2 )) 3.200 1.300 1.300 peak 1960 spectrum 1 weight 0.10000E+01 volume 0.14234E-02 ppm1 2.784 ppm2 1.518 CV 1 OR { 1960} (( segid " " and resid 40 and name HB2 )) ( segid " " and resid 44 and name HB% ) OR { 1960} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 38 and name HG12)) ASSI { 1964} (( segid " " and resid 30 and name HB1 )) ( segid " " and resid 33 and name HD2%) 3.800 1.800 1.800 peak 1964 spectrum 1 weight 0.10000E+01 volume 0.21196E-02 ppm1 3.290 ppm2 1.056 CV 1 OR { 1964} (( segid " " and resid 30 and name HB1 )) ( segid " " and resid 38 and name HG2%) OR { 1964} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 31 and name HB2 )) ASSI { 1966} (( segid " " and resid 30 and name HB1 )) ( segid " " and resid 38 and name HD1%) 4.500 2.500 1.500 peak 1966 spectrum 1 weight 0.10000E+01 volume 0.64736E-03 ppm1 3.294 ppm2 0.867 CV 1 OR { 1966} (( segid " " and resid 30 and name HB1 )) ( segid " " and resid 14 and name HD2%) ASSI { 1970} (( segid " " and resid 30 and name HB2 )) ( segid " " and resid 33 and name HD2%) 3.500 1.500 1.500 peak 1970 spectrum 1 weight 0.10000E+01 volume 0.16814E-02 ppm1 3.014 ppm2 1.057 CV 1 OR { 1970} (( segid " " and resid 30 and name HB2 )) ( segid " " and resid 38 and name HG2%) OR { 1970} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 31 and name HB2 )) ASSI { 1971} (( segid " " and resid 40 and name HB1 )) ( segid " " and resid 38 and name HD1%) 4.000 2.000 2.000 peak 1971 spectrum 1 weight 0.10000E+01 volume 0.94294E-03 ppm1 3.008 ppm2 0.877 CV 1 OR { 1971} (( segid " " and resid 40 and name HB1 )) ( segid " " and resid 14 and name HD2%) OR { 1971} (( segid " " and resid 30 and name HB2 )) ( segid " " and resid 38 and name HD1%) ASSI { 1990} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 22 and name HN )) 2.600 0.900 0.900 peak 1990 spectrum 1 weight 0.10000E+01 volume 0.60196E-02 ppm1 2.836 ppm2 8.490 CV 1 OR { 1990} (( segid " " and resid 22 and name HB1 )) (( segid " " and resid 22 and name HN )) OR { 1990} (( segid " " and resid 22 and name HB1 )) (( segid " " and resid 23 and name HN )) OR { 1990} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 23 and name HN )) ASSI { 2002} (( segid " " and resid 26 and name HB2 )) ( segid " " and resid 30 and name HD% ) 4.600 2.600 1.400 peak 2002 spectrum 1 weight 0.10000E+01 volume 0.42525E-03 ppm1 1.236 ppm2 7.313 CV 1 OR { 2002} (( segid " " and resid 26 and name HB2 )) (( segid " " and resid 11 and name HE )) OR { 2002} (( segid " " and resid 26 and name HB2 )) (( segid " " and resid 30 and name HZ )) ASSI { 2003} (( segid " " and resid 26 and name HB1 )) ( segid " " and resid 30 and name HD% ) 4.100 2.100 1.900 peak 2003 spectrum 1 weight 0.10000E+01 volume 0.39873E-03 ppm1 1.448 ppm2 7.314 CV 1 OR { 2003} (( segid " " and resid 26 and name HB1 )) (( segid " " and resid 11 and name HE )) OR { 2003} (( segid " " and resid 26 and name HB1 )) (( segid " " and resid 30 and name HZ )) ASSI { 2007} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 32 and name HN )) 3.700 1.800 1.800 peak 2007 spectrum 1 weight 0.10000E+01 volume 0.14247E-02 ppm1 1.623 ppm2 8.049 CV 1 OR { 2007} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 30 and name HN )) ASSI { 2021} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 10 and name HN )) 2.600 0.800 0.800 peak 2021 spectrum 1 weight 0.10000E+01 volume 0.19012E-02 ppm1 2.699 ppm2 8.068 CV 1 OR { 2021} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 10 and name HN )) ASSI { 2026} (( segid " " and resid 32 and name HB1 )) (( segid " " and resid 32 and name HN )) 2.900 1.000 1.000 peak 2026 spectrum 1 weight 0.10000E+01 volume 0.43961E-02 ppm1 3.031 ppm2 8.051 CV 1 OR { 2026} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 10 and name HN )) ASSI { 2037} (( segid " " and resid 10 and name HB2 )) (( segid " " and resid 30 and name HZ )) 4.800 2.800 1.200 peak 2037 spectrum 1 weight 0.10000E+01 volume 0.52115E-03 ppm1 1.562 ppm2 7.336 CV 1 OR { 2037} (( segid " " and resid 10 and name HB2 )) (( segid " " and resid 79 and name HD21)) ASSI { 2038} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 72 and name HH22)) 4.700 2.700 1.300 peak 2038 spectrum 1 weight 0.10000E+01 volume 0.40333E-03 ppm1 1.626 ppm2 6.893 CV 1 OR { 2038} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 72 and name HH11)) OR { 2038} (( segid " " and resid 45 and name HB1 )) ( segid " " and resid 35 and name HE% ) OR { 2038} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 72 and name HH21)) OR { 2038} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 72 and name HH12)) OR { 2038} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 35 and name HZ )) ASSI { 2042} (( segid " " and resid 14 and name HB2 )) (( segid " " and resid 14 and name HA )) 3.200 1.200 1.200 peak 2042 spectrum 1 weight 0.10000E+01 volume 0.18652E-02 ppm1 1.440 ppm2 4.393 CV 1 OR { 2042} (( segid " " and resid 14 and name HB2 )) (( segid " " and resid 13 and name HA )) ASSI { 2044} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 42 and name HA )) 3.200 1.300 1.300 peak 2044 spectrum 1 weight 0.10000E+01 volume 0.21603E-02 ppm1 1.498 ppm2 4.261 CV 1 OR { 2044} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 46 and name HA )) ASSI { 2048} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 42 and name HA )) 2.800 1.000 1.000 peak 2048 spectrum 1 weight 0.10000E+01 volume 0.17206E-02 ppm1 1.629 ppm2 4.262 CV 1 OR { 2048} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 46 and name HA )) ASSI { 2055} (( segid " " and resid 10 and name HB1 )) (( segid " " and resid 7 and name HA )) 3.100 1.200 1.200 peak 2055 spectrum 1 weight 0.10000E+01 volume 0.11445E-02 ppm1 2.332 ppm2 3.865 CV 1 OR { 2055} (( segid " " and resid 10 and name HB1 )) (( segid " " and resid 75 and name HA )) ASSI { 2060} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 72 and name HA )) 4.500 2.600 1.500 peak 2060 spectrum 1 weight 0.10000E+01 volume 0.28582E-03 ppm1 1.624 ppm2 3.603 CV 1 OR { 2060} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 35 and name HB1 )) ASSI { 2063} (( segid " " and resid 10 and name HB1 )) (( segid " " and resid 11 and name HB1 )) 4.400 2.500 1.600 peak 2063 spectrum 1 weight 0.10000E+01 volume 0.43308E-03 ppm1 2.327 ppm2 2.048 CV 1 OR { 2063} (( segid " " and resid 10 and name HB1 )) (( segid " " and resid 11 and name HB2 )) OR { 2063} (( segid " " and resid 10 and name HB1 )) (( segid " " and resid 52 and name HG )) ASSI { 2065} (( segid " " and resid 10 and name HB1 )) ( segid " " and resid 13 and name HB% ) 4.600 2.600 1.400 peak 2065 spectrum 1 weight 0.10000E+01 volume 0.70984E-03 ppm1 2.336 ppm2 1.669 CV 1 OR { 2065} (( segid " " and resid 10 and name HB1 )) (( segid " " and resid 75 and name HG )) ASSI { 2074} (( segid " " and resid 14 and name HB1 )) ( segid " " and resid 14 and name HD1%) 2.800 1.000 1.000 peak 2074 spectrum 1 weight 0.10000E+01 volume 0.27007E-02 ppm1 1.983 ppm2 0.776 CV 1 OR { 2074} (( segid " " and resid 14 and name HB1 )) ( segid " " and resid 26 and name HD2%) ASSI { 2075} (( segid " " and resid 14 and name HB1 )) ( segid " " and resid 15 and name HG2%) 4.300 2.300 1.700 peak 2075 spectrum 1 weight 0.10000E+01 volume 0.81503E-03 ppm1 1.987 ppm2 1.118 CV 1 OR { 2075} (( segid " " and resid 14 and name HB1 )) ( segid " " and resid 48 and name HG2%) ASSI { 2081} (( segid " " and resid 10 and name HB1 )) ( segid " " and resid 10 and name HD1%) 3.500 1.500 1.500 peak 2081 spectrum 1 weight 0.10000E+01 volume 0.22783E-02 ppm1 2.332 ppm2 1.044 CV 1 OR { 2081} (( segid " " and resid 10 and name HB1 )) ( segid " " and resid 74 and name HD1%) ASSI { 2089} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 31 and name HB1 )) 1.800 0.400 0.400 peak 2089 spectrum 1 weight 0.10000E+01 volume 0.80584E-02 ppm1 1.028 ppm2 1.627 CV 1 OR { 2089} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 72 and name HB2 )) ASSI { 2098} (( segid " " and resid 10 and name HB2 )) ( segid " " and resid 5 and name HD1%) 3.700 1.700 1.700 peak 2098 spectrum 1 weight 0.10000E+01 volume 0.13468E-02 ppm1 1.568 ppm2 0.618 CV 1 OR { 2098} (( segid " " and resid 75 and name HB2 )) ( segid " " and resid 5 and name HD1%) OR { 2098} (( segid " " and resid 10 and name HB2 )) ( segid " " and resid 5 and name HD2%) OR { 2098} (( segid " " and resid 75 and name HB2 )) ( segid " " and resid 5 and name HD2%) ASSI { 2099} (( segid " " and resid 75 and name HB2 )) ( segid " " and resid 75 and name HD1%) 2.500 0.800 0.800 peak 2099 spectrum 1 weight 0.10000E+01 volume 0.29344E-02 ppm1 1.561 ppm2 0.792 CV 1 OR { 2099} (( segid " " and resid 10 and name HB2 )) ( segid " " and resid 75 and name HD1%) ASSI { 2115} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 11 and name HN )) 4.300 2.300 1.700 peak 2115 spectrum 1 weight 0.10000E+01 volume 0.73055E-03 ppm1 2.706 ppm2 8.836 CV 1 OR { 2115} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 7 and name HN )) OR { 2115} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 11 and name HN )) OR { 2115} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 11 and name HN )) OR { 2115} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 7 and name HN )) ASSI { 2117} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 25 and name HN )) 3.000 1.100 1.100 peak 2117 spectrum 1 weight 0.10000E+01 volume 0.25265E-02 ppm1 2.757 ppm2 8.605 CV 1 OR { 2117} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 63 and name HN )) ASSI { 2125} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 38 and name HN )) 3.400 1.500 1.500 peak 2125 spectrum 1 weight 0.10000E+01 volume 0.61575E-03 ppm1 3.086 ppm2 7.709 CV 1 OR { 2125} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 39 and name HN )) ASSI { 2126} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 38 and name HN )) 4.200 2.200 1.800 peak 2126 spectrum 1 weight 0.10000E+01 volume 0.91707E-03 ppm1 2.996 ppm2 7.714 CV 1 OR { 2126} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 39 and name HN )) ASSI { 2137} (( segid " " and resid 41 and name HB1 )) (( segid " " and resid 42 and name HB2 )) 4.800 2.800 1.200 peak 2137 spectrum 1 weight 0.10000E+01 volume 0.36460E-03 ppm1 3.298 ppm2 4.321 CV 1 OR { 2137} (( segid " " and resid 41 and name HB1 )) (( segid " " and resid 44 and name HA )) ASSI { 2138} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 9 and name HA )) 2.600 0.900 0.900 peak 2138 spectrum 1 weight 0.10000E+01 volume 0.34941E-02 ppm1 3.033 ppm2 4.543 CV 1 OR { 2138} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 5 and name HA )) ASSI { 2143} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 9 and name HA )) 2.800 1.000 1.000 peak 2143 spectrum 1 weight 0.10000E+01 volume 0.48854E-02 ppm1 2.700 ppm2 4.555 CV 1 OR { 2143} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 5 and name HA )) OR { 2143} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 9 and name HA )) ASSI { 2145} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 6 and name HB )) 4.900 3.000 1.100 peak 2145 spectrum 1 weight 0.10000E+01 volume 0.37025E-03 ppm1 2.704 ppm2 4.845 CV 1 OR { 2145} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 6 and name HB )) OR { 2145} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 6 and name HB )) ASSI { 2156} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 52 and name HB1 )) 4.500 2.500 1.500 peak 2156 spectrum 1 weight 0.10000E+01 volume 0.36220E-03 ppm1 3.034 ppm2 2.237 CV 1 OR { 2156} (( segid " " and resid 32 and name HB1 )) (( segid " " and resid 71 and name HB1 )) ASSI { 2161} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 11 and name HB2 )) 4.100 2.100 1.900 peak 2161 spectrum 1 weight 0.10000E+01 volume 0.10751E-02 ppm1 2.704 ppm2 2.037 CV 1 OR { 2161} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 11 and name HB2 )) OR { 2161} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 11 and name HB1 )) OR { 2161} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 11 and name HB1 )) OR { 2161} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 11 and name HB2 )) OR { 2161} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 11 and name HB1 )) OR { 2161} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 12 and name HB2 )) OR { 2161} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 12 and name HB2 )) OR { 2161} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 12 and name HB2 )) ASSI { 2162} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 5 and name HB1 )) 2.400 0.700 0.700 peak 2162 spectrum 1 weight 0.10000E+01 volume 0.17621E-02 ppm1 2.698 ppm2 1.570 CV 1 OR { 2162} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 10 and name HB2 )) OR { 2162} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 5 and name HG )) ASSI { 2163} (( segid " " and resid 41 and name HB2 )) (( segid " " and resid 45 and name HB2 )) 4.400 2.500 1.600 peak 2163 spectrum 1 weight 0.10000E+01 volume 0.51279E-03 ppm1 2.852 ppm2 1.518 CV 1 OR { 2163} (( segid " " and resid 41 and name HB2 )) ( segid " " and resid 44 and name HB% ) ASSI { 2165} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 34 and name HB2 )) 3.800 1.800 1.800 peak 2165 spectrum 1 weight 0.10000E+01 volume 0.45845E-03 ppm1 3.081 ppm2 1.848 CV 1 OR { 2165} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 38 and name HG11)) ASSI { 2169} (( segid " " and resid 32 and name HB1 )) ( segid " " and resid 70 and name HG2%) 4.100 2.100 1.900 peak 2169 spectrum 1 weight 0.10000E+01 volume 0.53922E-03 ppm1 3.033 ppm2 1.075 CV 1 OR { 2169} (( segid " " and resid 32 and name HB1 )) ( segid " " and resid 33 and name HD2%) ASSI { 2174} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 5 and name HB2 )) 4.200 2.200 1.800 peak 2174 spectrum 1 weight 0.10000E+01 volume 0.93974E-03 ppm1 2.703 ppm2 1.384 CV 1 OR { 2174} (( segid " " and resid 8 and name HB1 )) ( segid " " and resid 7 and name HG2%) OR { 2174} (( segid " " and resid 8 and name HB2 )) ( segid " " and resid 7 and name HG2%) ASSI { 2176} (( segid " " and resid 9 and name HB2 )) ( segid " " and resid 52 and name HD2%) 4.500 2.500 1.500 peak 2176 spectrum 1 weight 0.10000E+01 volume 0.42407E-03 ppm1 2.699 ppm2 1.030 CV 1 OR { 2176} (( segid " " and resid 9 and name HB2 )) ( segid " " and resid 10 and name HD1%) OR { 2176} (( segid " " and resid 8 and name HB2 )) ( segid " " and resid 10 and name HD1%) ASSI { 2180} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 12 and name HB1 )) 4.900 3.000 1.100 peak 2180 spectrum 1 weight 0.10000E+01 volume 0.20446E-03 ppm1 3.035 ppm2 2.021 CV 1 OR { 2180} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 52 and name HG )) OR { 2180} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 12 and name HB2 )) ASSI { 2184} (( segid " " and resid 4 and name HB1 )) (( segid " " and resid 5 and name HN )) 2.700 0.900 0.900 peak 2184 spectrum 1 weight 0.10000E+01 volume 0.41637E-02 ppm1 1.587 ppm2 9.429 CV 1 OR { 2184} (( segid " " and resid 5 and name HB1 )) (( segid " " and resid 5 and name HN )) ASSI { 2189} (( segid " " and resid 75 and name HB1 )) (( segid " " and resid 75 and name HN )) 2.300 0.600 0.600 peak 2189 spectrum 1 weight 0.10000E+01 volume 0.59427E-02 ppm1 2.190 ppm2 8.714 CV 1 OR { 2189} (( segid " " and resid 75 and name HB1 )) (( segid " " and resid 76 and name HN )) ASSI { 2207} (( segid " " and resid 4 and name HB1 )) (( segid " " and resid 79 and name HD21)) 3.700 1.700 1.700 peak 2207 spectrum 1 weight 0.10000E+01 volume 0.11831E-02 ppm1 1.591 ppm2 7.331 CV 1 OR { 2207} (( segid " " and resid 5 and name HB1 )) (( segid " " and resid 79 and name HD21)) ASSI { 2221} (( segid " " and resid 4 and name HB1 )) (( segid " " and resid 4 and name HA )) 2.500 0.800 0.800 peak 2221 spectrum 1 weight 0.10000E+01 volume 0.35201E-02 ppm1 1.601 ppm2 4.363 CV 1 OR { 2221} (( segid " " and resid 4 and name HB1 )) (( segid " " and resid 3 and name HA )) ASSI { 2243} (( segid " " and resid 77 and name HB1 )) (( segid " " and resid 77 and name HA )) 2.500 0.800 0.800 peak 2243 spectrum 1 weight 0.10000E+01 volume 0.37930E-02 ppm1 2.031 ppm2 4.279 CV 1 OR { 2243} (( segid " " and resid 77 and name HB1 )) (( segid " " and resid 74 and name HA )) ASSI { 2244} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 77 and name HA )) 2.700 0.900 0.900 peak 2244 spectrum 1 weight 0.10000E+01 volume 0.40047E-02 ppm1 1.909 ppm2 4.281 CV 1 OR { 2244} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 74 and name HA )) ASSI { 2258} (( segid " " and resid 33 and name HB1 )) ( segid " " and resid 33 and name HD2%) 2.500 0.800 0.800 peak 2258 spectrum 1 weight 0.10000E+01 volume 0.49176E-02 ppm1 1.772 ppm2 1.058 CV 1 OR { 2258} (( segid " " and resid 33 and name HB1 )) ( segid " " and resid 38 and name HG2%) ASSI { 2260} (( segid " " and resid 77 and name HB1 )) ( segid " " and resid 77 and name HD2%) 2.400 0.700 0.700 peak 2260 spectrum 1 weight 0.10000E+01 volume 0.67049E-02 ppm1 2.012 ppm2 0.977 CV 1 OR { 2260} (( segid " " and resid 77 and name HB1 )) ( segid " " and resid 77 and name HD1%) OR { 2260} (( segid " " and resid 82 and name HB1 )) ( segid " " and resid 82 and name HD1%) OR { 2260} (( segid " " and resid 82 and name HB1 )) ( segid " " and resid 82 and name HD2%) ASSI { 2261} (( segid " " and resid 77 and name HB2 )) ( segid " " and resid 77 and name HD2%) 2.700 0.900 0.900 peak 2261 spectrum 1 weight 0.10000E+01 volume 0.45636E-02 ppm1 1.909 ppm2 0.959 CV 1 OR { 2261} (( segid " " and resid 77 and name HB2 )) ( segid " " and resid 77 and name HD1%) OR { 2261} (( segid " " and resid 77 and name HB2 )) ( segid " " and resid 64 and name HG1%) ASSI { 2262} (( segid " " and resid 52 and name HB1 )) ( segid " " and resid 52 and name HD2%) 2.700 0.900 0.900 peak 2262 spectrum 1 weight 0.10000E+01 volume 0.25106E-02 ppm1 2.212 ppm2 1.031 CV 1 OR { 2262} (( segid " " and resid 75 and name HB1 )) ( segid " " and resid 10 and name HD1%) ASSI { 2263} (( segid " " and resid 75 and name HB1 )) ( segid " " and resid 75 and name HD2%) 2.400 0.700 0.700 peak 2263 spectrum 1 weight 0.10000E+01 volume 0.54950E-02 ppm1 2.209 ppm2 0.861 CV 1 OR { 2263} (( segid " " and resid 52 and name HB1 )) ( segid " " and resid 52 and name HD1%) OR { 2263} (( segid " " and resid 52 and name HB1 )) ( segid " " and resid 78 and name HG2%) ASSI { 2266} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 74 and name HG )) 2.700 0.900 0.900 peak 2266 spectrum 1 weight 0.10000E+01 volume 0.27655E-02 ppm1 2.421 ppm2 0.978 CV 1 OR { 2266} (( segid " " and resid 74 and name HB1 )) ( segid " " and resid 77 and name HD1%) ASSI { 2282} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 75 and name HG )) 2.900 1.100 1.100 peak 2282 spectrum 1 weight 0.10000E+01 volume 0.33492E-02 ppm1 1.543 ppm2 1.677 CV 1 OR { 2282} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 74 and name HB2 )) ASSI { 2294} (( segid " " and resid 77 and name HB2 )) ( segid " " and resid 60 and name HD1%) 3.600 1.600 1.600 peak 2294 spectrum 1 weight 0.10000E+01 volume 0.77651E-03 ppm1 1.906 ppm2 0.841 CV 1 OR { 2294} (( segid " " and resid 77 and name HB2 )) ( segid " " and resid 52 and name HD1%) ASSI { 2301} (( segid " " and resid 33 and name HB1 )) (( segid " " and resid 30 and name HB1 )) 6.000 4.900 0.000 peak 2301 spectrum 1 weight 0.10000E+01 volume 0.15917E-03 ppm1 1.775 ppm2 3.303 CV 1 OR { 2301} (( segid " " and resid 33 and name HB1 )) (( segid " " and resid 31 and name HA )) ASSI { 2317} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 76 and name HN )) 5.000 3.200 1.000 peak 2317 spectrum 1 weight 0.10000E+01 volume 0.22137E-03 ppm1 1.911 ppm2 8.698 CV 1 OR { 2317} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 75 and name HN )) ASSI { 2318} (( segid " " and resid 75 and name HB1 )) (( segid " " and resid 79 and name HN )) 5.500 3.800 0.500 peak 2318 spectrum 1 weight 0.10000E+01 volume 0.13901E-03 ppm1 2.198 ppm2 8.846 CV 1 OR { 2318} (( segid " " and resid 75 and name HB1 )) (( segid " " and resid 7 and name HN )) ASSI { 2319} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 56 and name HN )) 4.500 2.500 1.500 peak 2319 spectrum 1 weight 0.10000E+01 volume 0.36421E-03 ppm1 2.216 ppm2 8.119 CV 1 OR { 2319} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 51 and name HN )) ASSI { 2323} (( segid " " and resid 34 and name HD1 )) (( segid " " and resid 34 and name HN )) 4.400 2.400 1.600 peak 2323 spectrum 1 weight 0.10000E+01 volume 0.70669E-03 ppm1 3.442 ppm2 8.451 CV 1 OR { 2323} (( segid " " and resid 34 and name HD1 )) (( segid " " and resid 35 and name HN )) ASSI { 2324} (( segid " " and resid 34 and name HD2 )) (( segid " " and resid 34 and name HN )) 5.000 3.100 1.000 peak 2324 spectrum 1 weight 0.10000E+01 volume 0.46293E-03 ppm1 3.345 ppm2 8.454 CV 1 OR { 2324} (( segid " " and resid 34 and name HD2 )) (( segid " " and resid 35 and name HN )) ASSI { 2325} (( segid " " and resid 55 and name HD2 )) (( segid " " and resid 55 and name HN )) 5.200 3.300 0.800 peak 2325 spectrum 1 weight 0.10000E+01 volume 0.28224E-03 ppm1 3.011 ppm2 8.107 CV 1 OR { 2325} (( segid " " and resid 55 and name HD2 )) (( segid " " and resid 56 and name HN )) ASSI { 2326} (( segid " " and resid 55 and name HD1 )) (( segid " " and resid 56 and name HN )) 4.800 2.800 1.200 peak 2326 spectrum 1 weight 0.10000E+01 volume 0.39212E-03 ppm1 3.091 ppm2 8.095 CV 1 OR { 2326} (( segid " " and resid 55 and name HD1 )) (( segid " " and resid 55 and name HN )) ASSI { 2342} (( segid " " and resid 34 and name HD2 )) (( segid " " and resid 34 and name HE )) 3.100 1.200 1.200 peak 2342 spectrum 1 weight 0.10000E+01 volume 0.17393E-02 ppm1 3.350 ppm2 7.986 CV 1 OR { 2342} (( segid " " and resid 12 and name HD1 )) (( segid " " and resid 12 and name HN )) ASSI { 2378} (( segid " " and resid 51 and name HD2 )) (( segid " " and resid 48 and name HA )) 3.400 3.400 2.600 peak 2378 spectrum 1 weight 0.10000E+01 volume 0.31143E-03 ppm1 3.295 ppm2 3.965 CV 1 OR { 2378} (( segid " " and resid 51 and name HD2 )) (( segid " " and resid 49 and name HA )) ASSI { 2379} (( segid " " and resid 51 and name HD1 )) (( segid " " and resid 48 and name HA )) 4.100 2.100 1.900 peak 2379 spectrum 1 weight 0.10000E+01 volume 0.35527E-03 ppm1 3.441 ppm2 3.958 CV 1 OR { 2379} (( segid " " and resid 51 and name HD1 )) (( segid " " and resid 49 and name HA )) ASSI { 2395} (( segid " " and resid 51 and name HD1 )) (( segid " " and resid 51 and name HB1 )) 2.500 0.800 0.800 peak 2395 spectrum 1 weight 0.10000E+01 volume 0.32748E-02 ppm1 3.442 ppm2 2.182 CV 1 OR { 2395} (( segid " " and resid 34 and name HD1 )) (( segid " " and resid 34 and name HB1 )) ASSI { 2396} (( segid " " and resid 34 and name HD1 )) (( segid " " and resid 34 and name HG1 )) 2.500 0.800 0.800 peak 2396 spectrum 1 weight 0.10000E+01 volume 0.45941E-02 ppm1 3.443 ppm2 1.958 CV 1 OR { 2396} (( segid " " and resid 51 and name HD1 )) (( segid " " and resid 51 and name HG1 )) ASSI { 2399} (( segid " " and resid 12 and name HD2 )) (( segid " " and resid 12 and name HG2 )) 2.500 0.800 0.800 peak 2399 spectrum 1 weight 0.10000E+01 volume 0.52507E-02 ppm1 3.301 ppm2 1.708 CV 1 OR { 2399} (( segid " " and resid 51 and name HD2 )) (( segid " " and resid 51 and name HG2 )) ASSI { 2407} (( segid " " and resid 51 and name HD2 )) (( segid " " and resid 51 and name HB2 )) 2.600 0.800 0.800 peak 2407 spectrum 1 weight 0.10000E+01 volume 0.56380E-02 ppm1 3.303 ppm2 2.014 CV 1 OR { 2407} (( segid " " and resid 12 and name HD2 )) (( segid " " and resid 12 and name HB1 )) OR { 2407} (( segid " " and resid 12 and name HD2 )) (( segid " " and resid 12 and name HB2 )) ASSI { 2408} (( segid " " and resid 34 and name HD2 )) (( segid " " and resid 34 and name HG1 )) 2.500 0.800 0.800 peak 2408 spectrum 1 weight 0.10000E+01 volume 0.45960E-02 ppm1 3.357 ppm2 1.925 CV 1 OR { 2408} (( segid " " and resid 12 and name HD1 )) (( segid " " and resid 12 and name HG1 )) ASSI { 2420} (( segid " " and resid 34 and name HD1 )) ( segid " " and resid 70 and name HG2%) 4.800 2.800 1.200 peak 2420 spectrum 1 weight 0.10000E+01 volume 0.38177E-03 ppm1 3.443 ppm2 1.072 CV 1 OR { 2420} (( segid " " and resid 51 and name HD1 )) ( segid " " and resid 10 and name HD1%) ASSI { 2422} (( segid " " and resid 67 and name HD2 )) ( segid " " and resid 64 and name HG1%) 3.500 1.600 1.600 peak 2422 spectrum 1 weight 0.10000E+01 volume 0.58632E-03 ppm1 3.264 ppm2 0.969 CV 1 OR { 2422} (( segid " " and resid 67 and name HD1 )) ( segid " " and resid 64 and name HG1%) OR { 2422} (( segid " " and resid 67 and name HD1 )) ( segid " " and resid 77 and name HD2%) OR { 2422} (( segid " " and resid 67 and name HD1 )) ( segid " " and resid 77 and name HD1%) ASSI { 2428} (( segid " " and resid 23 and name HA2 )) (( segid " " and resid 23 and name HN )) 2.200 0.600 0.600 peak 2428 spectrum 1 weight 0.10000E+01 volume 0.14101E-01 ppm1 4.070 ppm2 8.488 CV 1 OR { 2428} (( segid " " and resid 19 and name HA2 )) (( segid " " and resid 20 and name HN )) OR { 2428} (( segid " " and resid 23 and name HA1 )) (( segid " " and resid 23 and name HN )) OR { 2428} (( segid " " and resid 19 and name HA1 )) (( segid " " and resid 20 and name HN )) ASSI { 2442} (( segid " " and resid 23 and name HA1 )) (( segid " " and resid 22 and name HA )) 4.300 2.300 1.700 peak 2442 spectrum 1 weight 0.10000E+01 volume 0.56979E-03 ppm1 4.069 ppm2 4.729 CV 1 OR { 2442} (( segid " " and resid 23 and name HA2 )) (( segid " " and resid 22 and name HA )) OR { 2442} (( segid " " and resid 23 and name HA2 )) (( segid " " and resid 25 and name HA )) ASSI { 2443} (( segid " " and resid 66 and name HA2 )) (( segid " " and resid 46 and name HG1 )) 3.400 3.400 2.600 peak 2443 spectrum 1 weight 0.10000E+01 volume 0.34985E-03 ppm1 3.898 ppm2 2.824 CV 1 OR { 2443} (( segid " " and resid 66 and name HA2 )) (( segid " " and resid 62 and name HB1 )) ASSI { 2455} (( segid " " and resid 66 and name HA2 )) ( segid " " and resid 65 and name HB% ) 3.900 1.900 1.900 peak 2455 spectrum 1 weight 0.10000E+01 volume 0.56401E-03 ppm1 3.890 ppm2 1.382 CV 1 OR { 2455} (( segid " " and resid 28 and name HA2 )) ( segid " " and resid 7 and name HG2%) ASSI { 2480} (( segid " " and resid 80 and name HA2 )) (( segid " " and resid 82 and name HN )) 3.800 1.800 1.800 peak 2480 spectrum 1 weight 0.10000E+01 volume 0.90158E-03 ppm1 4.020 ppm2 8.288 CV 1 OR { 2480} (( segid " " and resid 80 and name HA1 )) (( segid " " and resid 82 and name HN )) OR { 2480} (( segid " " and resid 80 and name HA1 )) (( segid " " and resid 78 and name HN )) ASSI { 2493} (( segid " " and resid 80 and name HA2 )) ( segid " " and resid 83 and name HB% ) 3.000 1.100 1.100 peak 2493 spectrum 1 weight 0.10000E+01 volume 0.32831E-02 ppm1 4.021 ppm2 1.606 CV 1 OR { 2493} (( segid " " and resid 80 and name HA1 )) ( segid " " and resid 81 and name HB% ) OR { 2493} (( segid " " and resid 80 and name HA1 )) ( segid " " and resid 83 and name HB% ) OR { 2493} (( segid " " and resid 80 and name HA2 )) ( segid " " and resid 81 and name HB% ) ASSI { 2504} (( segid " " and resid 57 and name HA1 )) (( segid " " and resid 58 and name HA )) 3.500 1.500 1.500 peak 2504 spectrum 1 weight 0.10000E+01 volume 0.10525E-02 ppm1 4.089 ppm2 4.680 CV 1 OR { 2504} (( segid " " and resid 57 and name HA2 )) (( segid " " and resid 58 and name HA )) OR { 2504} (( segid " " and resid 57 and name HA1 )) (( segid " " and resid 56 and name HA )) ASSI { 2507} (( segid " " and resid 57 and name HA2 )) (( segid " " and resid 56 and name HB2 )) 5.400 3.700 0.600 peak 2507 spectrum 1 weight 0.10000E+01 volume 0.18534E-03 ppm1 4.083 ppm2 2.780 CV 1 OR { 2507} (( segid " " and resid 57 and name HA1 )) (( segid " " and resid 56 and name HB2 )) OR { 2507} (( segid " " and resid 57 and name HA1 )) (( segid " " and resid 53 and name HG1 )) OR { 2507} (( segid " " and resid 57 and name HA2 )) (( segid " " and resid 53 and name HG1 )) ASSI { 2508} (( segid " " and resid 57 and name HA1 )) ( segid " " and resid 58 and name HG2%) 4.200 2.200 1.800 peak 2508 spectrum 1 weight 0.10000E+01 volume 0.11533E-02 ppm1 4.090 ppm2 0.963 CV 1 OR { 2508} (( segid " " and resid 57 and name HA2 )) ( segid " " and resid 58 and name HG2%) OR { 2508} (( segid " " and resid 57 and name HA1 )) ( segid " " and resid 82 and name HD2%) ASSI { 2515} (( segid " " and resid 71 and name HD2 )) ( segid " " and resid 38 and name HD1%) 3.200 3.200 2.800 peak 2515 spectrum 1 weight 0.10000E+01 volume 0.66249E-03 ppm1 2.807 ppm2 0.873 CV 1 OR { 2515} (( segid " " and resid 71 and name HD2 )) ( segid " " and resid 14 and name HD2%) OR { 2515} (( segid " " and resid 71 and name HD2 )) ( segid " " and resid 75 and name HD2%) ASSI { 2517} (( segid " " and resid 61 and name HD2 )) ( segid " " and resid 64 and name HG2%) 2.300 0.600 0.600 peak 2517 spectrum 1 weight 0.10000E+01 volume 0.60078E-02 ppm1 3.572 ppm2 1.020 CV 1 OR { 2517} (( segid " " and resid 61 and name HD2 )) ( segid " " and resid 60 and name HG2%) ASSI { 2520} (( segid " " and resid 61 and name HD1 )) ( segid " " and resid 64 and name HG2%) 3.500 1.500 1.500 peak 2520 spectrum 1 weight 0.10000E+01 volume 0.39589E-02 ppm1 4.009 ppm2 1.019 CV 1 OR { 2520} (( segid " " and resid 61 and name HD1 )) ( segid " " and resid 60 and name HG2%) ASSI { 2536} (( segid " " and resid 61 and name HD2 )) (( segid " " and resid 65 and name HN )) 4.900 3.000 1.100 peak 2536 spectrum 1 weight 0.10000E+01 volume 0.31836E-03 ppm1 3.574 ppm2 8.196 CV 1 OR { 2536} (( segid " " and resid 61 and name HD2 )) (( segid " " and resid 60 and name HN )) ASSI { 2540} (( segid " " and resid 71 and name HD2 )) (( segid " " and resid 33 and name HN )) 3.500 1.500 1.500 peak 2540 spectrum 1 weight 0.10000E+01 volume 0.44898E-03 ppm1 2.814 ppm2 7.207 CV 1 OR { 2540} (( segid " " and resid 71 and name HD2 )) ( segid " " and resid 30 and name HE% ) ASSI { 2542} (( segid " " and resid 71 and name HD2 )) (( segid " " and resid 35 and name HN )) 3.200 3.200 2.800 peak 2542 spectrum 1 weight 0.10000E+01 volume 0.44635E-03 ppm1 2.808 ppm2 8.457 CV 1 OR { 2542} (( segid " " and resid 71 and name HD2 )) (( segid " " and resid 34 and name HN )) ASSI { 2544} (( segid " " and resid 71 and name HD1 )) (( segid " " and resid 33 and name HN )) 3.500 1.600 1.600 peak 2544 spectrum 1 weight 0.10000E+01 volume 0.69600E-03 ppm1 4.028 ppm2 7.205 CV 1 OR { 2544} (( segid " " and resid 71 and name HD1 )) ( segid " " and resid 30 and name HE% ) ASSI { 2546} (( segid " " and resid 61 and name HD1 )) (( segid " " and resid 60 and name HN )) 4.700 2.700 1.300 peak 2546 spectrum 1 weight 0.10000E+01 volume 0.25530E-03 ppm1 4.013 ppm2 8.185 CV 1 OR { 2546} (( segid " " and resid 61 and name HD1 )) (( segid " " and resid 65 and name HN )) ASSI { 2560} (( segid " " and resid 71 and name HD1 )) ( segid " " and resid 38 and name HD1%) 3.100 3.100 2.900 peak 2560 spectrum 1 weight 0.10000E+01 volume 0.63470E-03 ppm1 4.028 ppm2 0.876 CV 1 OR { 2560} (( segid " " and resid 71 and name HD1 )) ( segid " " and resid 14 and name HD2%) OR { 2560} (( segid " " and resid 71 and name HD1 )) ( segid " " and resid 75 and name HD2%) ASSI { 2566} (( segid " " and resid 18 and name HA )) (( segid " " and resid 18 and name HN )) 2.800 1.000 1.000 peak 2566 spectrum 1 weight 0.10000E+01 volume 0.33245E-02 ppm1 4.367 ppm2 7.830 CV 1 OR { 2566} (( segid " " and resid 18 and name HA )) (( segid " " and resid 17 and name HN )) ASSI { 2579} (( segid " " and resid 25 and name HA )) (( segid " " and resid 26 and name HN )) 2.100 0.600 0.600 peak 2579 spectrum 1 weight 0.10000E+01 volume 0.13806E-01 ppm1 4.714 ppm2 8.470 CV 1 OR { 2579} (( segid " " and resid 22 and name HA )) (( segid " " and resid 22 and name HN )) OR { 2579} (( segid " " and resid 22 and name HA )) (( segid " " and resid 23 and name HN )) ASSI { 2597} (( segid " " and resid 22 and name HA )) (( segid " " and resid 22 and name HB2 )) 2.600 0.800 0.800 peak 2597 spectrum 1 weight 0.10000E+01 volume 0.59164E-02 ppm1 4.717 ppm2 2.857 CV 1 OR { 2597} (( segid " " and resid 25 and name HA )) (( segid " " and resid 25 and name HB1 )) OR { 2597} (( segid " " and resid 22 and name HA )) (( segid " " and resid 22 and name HB1 )) ASSI { 2606} (( segid " " and resid 81 and name HA )) (( segid " " and resid 84 and name HB2 )) 3.300 1.300 1.300 peak 2606 spectrum 1 weight 0.10000E+01 volume 0.14211E-02 ppm1 4.458 ppm2 2.127 CV 1 OR { 2606} (( segid " " and resid 81 and name HA )) (( segid " " and resid 58 and name HB )) ASSI { 2617} (( segid " " and resid 32 and name HA )) ( segid " " and resid 70 and name HG2%) 3.100 1.200 1.200 peak 2617 spectrum 1 weight 0.10000E+01 volume 0.21879E-02 ppm1 5.042 ppm2 1.073 CV 1 OR { 2617} (( segid " " and resid 32 and name HA )) ( segid " " and resid 33 and name HD2%) ASSI { 2623} (( segid " " and resid 83 and name HA )) ( segid " " and resid 4 and name HD1%) 2.600 2.600 3.400 peak 2623 spectrum 1 weight 0.10000E+01 volume 0.17349E-02 ppm1 4.280 ppm2 0.875 CV 1 OR { 2623} (( segid " " and resid 83 and name HA )) ( segid " " and resid 78 and name HG2%) ASSI { 2632} (( segid " " and resid 33 and name HA )) (( segid " " and resid 34 and name HB1 )) 5.100 3.300 0.900 peak 2632 spectrum 1 weight 0.10000E+01 volume 0.41269E-03 ppm1 4.308 ppm2 2.162 CV 1 OR { 2632} (( segid " " and resid 33 and name HA )) (( segid " " and resid 71 and name HG1 )) ASSI { 2642} (( segid " " and resid 34 and name HA )) (( segid " " and resid 35 and name HN )) 2.200 0.600 0.600 peak 2642 spectrum 1 weight 0.10000E+01 volume 0.61777E-02 ppm1 4.732 ppm2 8.457 CV 1 OR { 2642} (( segid " " and resid 34 and name HA )) (( segid " " and resid 34 and name HN )) ASSI { 2663} (( segid " " and resid 13 and name HA )) (( segid " " and resid 16 and name HN )) 3.100 1.200 1.200 peak 2663 spectrum 1 weight 0.10000E+01 volume 0.15437E-02 ppm1 4.399 ppm2 8.212 CV 1 OR { 2663} (( segid " " and resid 13 and name HA )) (( segid " " and resid 50 and name HN )) ASSI { 2679} (( segid " " and resid 13 and name HA )) (( segid " " and resid 15 and name HB )) 3.500 1.600 1.600 peak 2679 spectrum 1 weight 0.10000E+01 volume 0.20477E-02 ppm1 4.399 ppm2 2.258 CV 1 OR { 2679} (( segid " " and resid 13 and name HA )) (( segid " " and resid 16 and name HB1 )) ASSI { 2695} (( segid " " and resid 65 and name HA )) ( segid " " and resid 64 and name HG1%) 2.600 0.900 0.900 peak 2695 spectrum 1 weight 0.10000E+01 volume 0.48825E-02 ppm1 3.986 ppm2 0.966 CV 1 OR { 2695} (( segid " " and resid 65 and name HA )) (( segid " " and resid 74 and name HG )) OR { 2695} (( segid " " and resid 65 and name HA )) ( segid " " and resid 77 and name HD1%) ASSI { 2696} (( segid " " and resid 49 and name HA )) ( segid " " and resid 52 and name HD1%) 2.600 0.800 0.800 peak 2696 spectrum 1 weight 0.10000E+01 volume 0.42724E-02 ppm1 3.949 ppm2 0.854 CV 1 OR { 2696} (( segid " " and resid 49 and name HA )) ( segid " " and resid 60 and name HD1%) ASSI { 2697} (( segid " " and resid 4 and name HA )) ( segid " " and resid 4 and name HD2%) 2.400 0.700 0.700 peak 2697 spectrum 1 weight 0.10000E+01 volume 0.44306E-02 ppm1 4.358 ppm2 0.978 CV 1 OR { 2697} (( segid " " and resid 4 and name HA )) ( segid " " and resid 82 and name HD1%) ASSI { 2734} (( segid " " and resid 13 and name HA )) (( segid " " and resid 51 and name HB2 )) 3.700 1.700 1.700 peak 2734 spectrum 1 weight 0.10000E+01 volume 0.10391E-02 ppm1 4.395 ppm2 2.024 CV 1 OR { 2734} (( segid " " and resid 13 and name HA )) (( segid " " and resid 12 and name HB1 )) OR { 2734} (( segid " " and resid 13 and name HA )) (( segid " " and resid 12 and name HB2 )) OR { 2734} (( segid " " and resid 13 and name HA )) (( segid " " and resid 52 and name HG )) ASSI { 2752} (( segid " " and resid 62 and name HA )) (( segid " " and resid 62 and name HB2 )) 2.600 0.900 0.900 peak 2752 spectrum 1 weight 0.10000E+01 volume 0.52879E-02 ppm1 4.452 ppm2 2.748 CV 1 OR { 2752} (( segid " " and resid 62 and name HA )) (( segid " " and resid 46 and name HG2 )) ASSI { 2760} (( segid " " and resid 84 and name HA )) ( segid " " and resid 83 and name HB% ) 4.100 2.100 1.900 peak 2760 spectrum 1 weight 0.10000E+01 volume 0.74077E-03 ppm1 4.387 ppm2 1.596 CV 1 OR { 2760} (( segid " " and resid 84 and name HA )) ( segid " " and resid 85 and name HB% ) ASSI { 2764} (( segid " " and resid 82 and name HA )) (( segid " " and resid 82 and name HB2 )) 2.700 0.900 0.900 peak 2764 spectrum 1 weight 0.10000E+01 volume 0.59127E-02 ppm1 4.212 ppm2 1.563 CV 1 OR { 2764} (( segid " " and resid 82 and name HA )) ( segid " " and resid 85 and name HB% ) ASSI { 2767} (( segid " " and resid 49 and name HA )) (( segid " " and resid 52 and name HB1 )) 3.800 1.800 1.800 peak 2767 spectrum 1 weight 0.10000E+01 volume 0.17265E-02 ppm1 3.946 ppm2 2.212 CV 1 OR { 2767} (( segid " " and resid 49 and name HA )) (( segid " " and resid 51 and name HB1 )) ASSI { 2791} (( segid " " and resid 45 and name HA )) (( segid " " and resid 46 and name HN )) 3.200 1.300 1.300 peak 2791 spectrum 1 weight 0.10000E+01 volume 0.12574E-02 ppm1 3.888 ppm2 8.244 CV 1 OR { 2791} (( segid " " and resid 75 and name HA )) (( segid " " and resid 78 and name HN )) ASSI { 2793} (( segid " " and resid 31 and name HA )) (( segid " " and resid 32 and name HN )) 3.600 1.700 1.700 peak 2793 spectrum 1 weight 0.10000E+01 volume 0.88779E-03 ppm1 3.304 ppm2 8.043 CV 1 OR { 2793} (( segid " " and resid 31 and name HA )) (( segid " " and resid 30 and name HN )) ASSI { 2794} (( segid " " and resid 31 and name HA )) (( segid " " and resid 33 and name HN )) 3.700 1.700 1.700 peak 2794 spectrum 1 weight 0.10000E+01 volume 0.77888E-03 ppm1 3.306 ppm2 7.209 CV 1 OR { 2794} (( segid " " and resid 31 and name HA )) ( segid " " and resid 30 and name HE% ) ASSI { 2801} (( segid " " and resid 52 and name HA )) (( segid " " and resid 55 and name HN )) 3.200 1.300 1.300 peak 2801 spectrum 1 weight 0.10000E+01 volume 0.15554E-02 ppm1 4.306 ppm2 8.105 CV 1 OR { 2801} (( segid " " and resid 52 and name HA )) (( segid " " and resid 56 and name HN )) OR { 2801} (( segid " " and resid 52 and name HA )) (( segid " " and resid 51 and name HN )) ASSI { 2813} (( segid " " and resid 8 and name HA )) (( segid " " and resid 11 and name HN )) 3.300 1.300 1.300 peak 2813 spectrum 1 weight 0.10000E+01 volume 0.17732E-02 ppm1 4.620 ppm2 8.840 CV 1 OR { 2813} (( segid " " and resid 8 and name HA )) (( segid " " and resid 7 and name HN )) ASSI { 2815} (( segid " " and resid 30 and name HA )) (( segid " " and resid 30 and name HN )) 2.800 0.900 0.900 peak 2815 spectrum 1 weight 0.10000E+01 volume 0.25522E-02 ppm1 4.738 ppm2 8.044 CV 1 OR { 2815} (( segid " " and resid 30 and name HA )) (( segid " " and resid 32 and name HN )) ASSI { 2828} (( segid " " and resid 14 and name HA )) (( segid " " and resid 17 and name HN )) 3.700 1.700 1.700 peak 2828 spectrum 1 weight 0.10000E+01 volume 0.61524E-03 ppm1 4.395 ppm2 7.821 CV 1 OR { 2828} (( segid " " and resid 14 and name HA )) (( segid " " and resid 18 and name HN )) ASSI { 2850} (( segid " " and resid 75 and name HA )) (( segid " " and resid 78 and name HB )) 2.900 1.000 1.000 peak 2850 spectrum 1 weight 0.10000E+01 volume 0.22379E-02 ppm1 3.887 ppm2 1.934 CV 1 OR { 2850} (( segid " " and resid 75 and name HA )) (( segid " " and resid 77 and name HB2 )) ASSI { 2854} (( segid " " and resid 31 and name HA )) (( segid " " and resid 31 and name HB1 )) 2.600 0.900 0.900 peak 2854 spectrum 1 weight 0.10000E+01 volume 0.25681E-02 ppm1 3.304 ppm2 1.629 CV 1 OR { 2854} (( segid " " and resid 31 and name HA )) (( segid " " and resid 72 and name HB2 )) ASSI { 2862} (( segid " " and resid 9 and name HA )) (( segid " " and resid 12 and name HB1 )) 2.900 1.100 1.100 peak 2862 spectrum 1 weight 0.10000E+01 volume 0.30091E-02 ppm1 4.549 ppm2 2.024 CV 1 OR { 2862} (( segid " " and resid 9 and name HA )) (( segid " " and resid 12 and name HB2 )) OR { 2862} (( segid " " and resid 9 and name HA )) (( segid " " and resid 11 and name HB2 )) OR { 2862} (( segid " " and resid 9 and name HA )) (( segid " " and resid 11 and name HB1 )) ASSI { 2863} (( segid " " and resid 40 and name HA )) ( segid " " and resid 44 and name HB% ) 2.700 0.900 0.900 peak 2863 spectrum 1 weight 0.10000E+01 volume 0.35756E-02 ppm1 4.582 ppm2 1.519 CV 1 OR { 2863} (( segid " " and resid 40 and name HA )) (( segid " " and resid 45 and name HB2 )) ASSI { 2865} (( segid " " and resid 14 and name HA )) (( segid " " and resid 15 and name HB )) 4.700 2.700 1.300 peak 2865 spectrum 1 weight 0.10000E+01 volume 0.43957E-03 ppm1 4.402 ppm2 2.248 CV 1 OR { 2865} (( segid " " and resid 14 and name HA )) (( segid " " and resid 16 and name HB1 )) OR { 2865} (( segid " " and resid 14 and name HA )) (( segid " " and resid 71 and name HB1 )) ASSI { 2871} (( segid " " and resid 43 and name HA )) (( segid " " and resid 47 and name HB2 )) 3.100 3.100 2.900 peak 2871 spectrum 1 weight 0.10000E+01 volume 0.13123E-02 ppm1 4.262 ppm2 2.184 CV 1 OR { 2871} (( segid " " and resid 77 and name HA )) (( segid " " and resid 64 and name HB )) ASSI { 2872} (( segid " " and resid 74 and name HA )) (( segid " " and resid 74 and name HB1 )) 2.800 1.000 1.000 peak 2872 spectrum 1 weight 0.10000E+01 volume 0.27409E-02 ppm1 4.307 ppm2 2.420 CV 1 OR { 2872} (( segid " " and resid 74 and name HA )) (( segid " " and resid 68 and name HB )) ASSI { 2873} (( segid " " and resid 52 and name HA )) (( segid " " and resid 52 and name HB1 )) 2.400 0.700 0.700 peak 2873 spectrum 1 weight 0.10000E+01 volume 0.30074E-02 ppm1 4.306 ppm2 2.215 CV 1 OR { 2873} (( segid " " and resid 52 and name HA )) (( segid " " and resid 51 and name HB1 )) ASSI { 2876} (( segid " " and resid 46 and name HA )) ( segid " " and resid 49 and name HB% ) 2.900 1.100 1.100 peak 2876 spectrum 1 weight 0.10000E+01 volume 0.36141E-02 ppm1 4.257 ppm2 1.524 CV 1 OR { 2876} (( segid " " and resid 43 and name HA )) ( segid " " and resid 44 and name HB% ) OR { 2876} (( segid " " and resid 46 and name HA )) (( segid " " and resid 45 and name HB2 )) ASSI { 2877} (( segid " " and resid 74 and name HA )) ( segid " " and resid 49 and name HB% ) 3.300 3.300 2.700 peak 2877 spectrum 1 weight 0.10000E+01 volume 0.34178E-02 ppm1 4.306 ppm2 1.519 CV 1 OR { 2877} (( segid " " and resid 52 and name HA )) ( segid " " and resid 49 and name HB% ) ASSI { 2880} (( segid " " and resid 43 and name HA )) (( segid " " and resid 43 and name HB1 )) 2.300 0.700 0.700 peak 2880 spectrum 1 weight 0.10000E+01 volume 0.76246E-02 ppm1 4.274 ppm2 1.896 CV 1 OR { 2880} (( segid " " and resid 77 and name HA )) (( segid " " and resid 77 and name HB2 )) ASSI { 2881} (( segid " " and resid 74 and name HA )) (( segid " " and resid 74 and name HB2 )) 2.100 0.600 0.600 peak 2881 spectrum 1 weight 0.10000E+01 volume 0.61813E-02 ppm1 4.305 ppm2 1.693 CV 1 OR { 2881} (( segid " " and resid 52 and name HA )) ( segid " " and resid 13 and name HB% ) ASSI { 2888} (( segid " " and resid 45 and name HA )) (( segid " " and resid 45 and name HB2 )) 2.200 0.600 0.600 peak 2888 spectrum 1 weight 0.10000E+01 volume 0.61301E-02 ppm1 3.888 ppm2 1.519 CV 1 OR { 2888} (( segid " " and resid 45 and name HA )) ( segid " " and resid 44 and name HB% ) ASSI { 2889} (( segid " " and resid 45 and name HA )) (( segid " " and resid 45 and name HG )) 2.700 0.900 0.900 peak 2889 spectrum 1 weight 0.10000E+01 volume 0.19787E-02 ppm1 3.886 ppm2 1.352 CV 1 OR { 2889} (( segid " " and resid 75 and name HA )) (( segid " " and resid 5 and name HB2 )) ASSI { 2893} (( segid " " and resid 75 and name HA )) ( segid " " and resid 74 and name HD2%) 3.200 1.300 1.300 peak 2893 spectrum 1 weight 0.10000E+01 volume 0.14358E-02 ppm1 3.887 ppm2 1.051 CV 1 OR { 2893} (( segid " " and resid 75 and name HA )) ( segid " " and resid 10 and name HD1%) OR { 2893} (( segid " " and resid 75 and name HA )) ( segid " " and resid 74 and name HD1%) OR { 2893} (( segid " " and resid 75 and name HA )) ( segid " " and resid 52 and name HD2%) OR { 2893} (( segid " " and resid 45 and name HA )) ( segid " " and resid 74 and name HD2%) ASSI { 2894} (( segid " " and resid 75 and name HA )) ( segid " " and resid 10 and name HD2%) 3.000 1.200 1.200 peak 2894 spectrum 1 weight 0.10000E+01 volume 0.26028E-02 ppm1 3.887 ppm2 1.119 CV 1 OR { 2894} (( segid " " and resid 45 and name HA )) ( segid " " and resid 48 and name HG2%) ASSI { 2898} (( segid " " and resid 9 and name HA )) (( segid " " and resid 9 and name HB2 )) 2.700 0.900 0.900 peak 2898 spectrum 1 weight 0.10000E+01 volume 0.58358E-02 ppm1 4.549 ppm2 2.697 CV 1 OR { 2898} (( segid " " and resid 9 and name HA )) (( segid " " and resid 8 and name HB2 )) ASSI { 2902} (( segid " " and resid 14 and name HA )) ( segid " " and resid 48 and name HG2%) 3.000 1.100 1.100 peak 2902 spectrum 1 weight 0.10000E+01 volume 0.26986E-02 ppm1 4.395 ppm2 1.123 CV 1 OR { 2902} (( segid " " and resid 14 and name HA )) ( segid " " and resid 15 and name HG2%) ASSI { 2903} (( segid " " and resid 52 and name HA )) ( segid " " and resid 52 and name HD2%) 1.900 0.400 0.400 peak 2903 spectrum 1 weight 0.10000E+01 volume 0.16777E-01 ppm1 4.305 ppm2 1.044 CV 1 OR { 2903} (( segid " " and resid 74 and name HA )) ( segid " " and resid 74 and name HD1%) OR { 2903} (( segid " " and resid 74 and name HA )) ( segid " " and resid 74 and name HD2%) ASSI { 2906} (( segid " " and resid 10 and name HA )) ( segid " " and resid 10 and name HD1%) 2.100 0.600 0.600 peak 2906 spectrum 1 weight 0.10000E+01 volume 0.98456E-02 ppm1 4.209 ppm2 1.041 CV 1 OR { 2906} (( segid " " and resid 10 and name HA )) ( segid " " and resid 74 and name HD1%) ASSI { 2908} (( segid " " and resid 60 and name HA )) ( segid " " and resid 60 and name HG2%) 2.600 0.900 0.900 peak 2908 spectrum 1 weight 0.10000E+01 volume 0.36970E-02 ppm1 4.650 ppm2 1.015 CV 1 OR { 2908} (( segid " " and resid 60 and name HA )) ( segid " " and resid 64 and name HG2%) ASSI { 2911} (( segid " " and resid 8 and name HA )) ( segid " " and resid 15 and name HG2%) 4.300 2.300 1.700 peak 2911 spectrum 1 weight 0.10000E+01 volume 0.88629E-03 ppm1 4.625 ppm2 1.126 CV 1 OR { 2911} (( segid " " and resid 8 and name HA )) ( segid " " and resid 10 and name HD2%) ASSI { 2914} (( segid " " and resid 52 and name HA )) ( segid " " and resid 52 and name HD1%) 3.700 1.700 1.700 peak 2914 spectrum 1 weight 0.10000E+01 volume 0.21002E-02 ppm1 4.305 ppm2 0.854 CV 1 OR { 2914} (( segid " " and resid 52 and name HA )) ( segid " " and resid 78 and name HG2%) OR { 2914} (( segid " " and resid 74 and name HA )) ( segid " " and resid 60 and name HD1%) ASSI { 2916} (( segid " " and resid 10 and name HA )) ( segid " " and resid 52 and name HD1%) 3.100 1.200 1.200 peak 2916 spectrum 1 weight 0.10000E+01 volume 0.15769E-02 ppm1 4.207 ppm2 0.868 CV 1 OR { 2916} (( segid " " and resid 10 and name HA )) ( segid " " and resid 14 and name HD2%) OR { 2916} (( segid " " and resid 10 and name HA )) ( segid " " and resid 75 and name HD2%) ASSI { 2917} (( segid " " and resid 10 and name HA )) ( segid " " and resid 14 and name HD1%) 4.200 2.200 1.800 peak 2917 spectrum 1 weight 0.10000E+01 volume 0.65773E-03 ppm1 4.209 ppm2 0.779 CV 1 OR { 2917} (( segid " " and resid 10 and name HA )) ( segid " " and resid 75 and name HD1%) OR { 2917} (( segid " " and resid 10 and name HA )) ( segid " " and resid 78 and name HD1%) ASSI { 2931} (( segid " " and resid 47 and name HA )) (( segid " " and resid 50 and name HN )) 3.200 1.200 1.200 peak 2931 spectrum 1 weight 0.10000E+01 volume 0.21103E-02 ppm1 4.228 ppm2 8.224 CV 1 OR { 2931} (( segid " " and resid 47 and name HA )) (( segid " " and resid 46 and name HN )) OR { 2931} (( segid " " and resid 51 and name HA )) (( segid " " and resid 50 and name HN )) ASSI { 2934} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HN )) 2.600 0.900 0.900 peak 2934 spectrum 1 weight 0.10000E+01 volume 0.48218E-02 ppm1 4.090 ppm2 8.094 CV 1 OR { 2934} (( segid " " and resid 55 and name HA )) (( segid " " and resid 56 and name HN )) ASSI { 2936} (( segid " " and resid 17 and name HA )) (( segid " " and resid 17 and name HN )) 2.600 0.800 0.800 peak 2936 spectrum 1 weight 0.10000E+01 volume 0.56530E-02 ppm1 4.563 ppm2 7.821 CV 1 OR { 2936} (( segid " " and resid 17 and name HA )) (( segid " " and resid 18 and name HN )) ASSI { 2948} (( segid " " and resid 51 and name HA )) (( segid " " and resid 51 and name HN )) 2.600 0.800 0.800 peak 2948 spectrum 1 weight 0.10000E+01 volume 0.50170E-02 ppm1 4.235 ppm2 8.112 CV 1 OR { 2948} (( segid " " and resid 47 and name HA )) (( segid " " and resid 51 and name HN )) ASSI { 2958} (( segid " " and resid 27 and name HA )) (( segid " " and resid 11 and name HE )) 3.100 1.200 1.200 peak 2958 spectrum 1 weight 0.10000E+01 volume 0.14919E-02 ppm1 4.298 ppm2 7.321 CV 1 OR { 2958} (( segid " " and resid 27 and name HA )) ( segid " " and resid 30 and name HD% ) ASSI { 2961} (( segid " " and resid 36 and name HA )) (( segid " " and resid 39 and name HN )) 3.500 1.500 1.500 peak 2961 spectrum 1 weight 0.10000E+01 volume 0.93437E-03 ppm1 4.361 ppm2 7.714 CV 1 OR { 2961} (( segid " " and resid 36 and name HA )) (( segid " " and resid 38 and name HN )) ASSI { 2964} (( segid " " and resid 58 and name HA )) (( segid " " and resid 58 and name HN )) 2.700 0.900 0.900 peak 2964 spectrum 1 weight 0.10000E+01 volume 0.25409E-02 ppm1 4.681 ppm2 7.529 CV 1 OR { 2964} (( segid " " and resid 56 and name HA )) (( segid " " and resid 58 and name HN )) ASSI { 2978} (( segid " " and resid 73 and name HA )) (( segid " " and resid 76 and name HB1 )) 2.600 0.800 0.800 peak 2978 spectrum 1 weight 0.10000E+01 volume 0.37671E-02 ppm1 4.245 ppm2 2.760 CV 1 OR { 2978} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HG2 )) ASSI { 2984} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HB1 )) 2.700 0.900 0.900 peak 2984 spectrum 1 weight 0.10000E+01 volume 0.53437E-02 ppm1 4.227 ppm2 2.338 CV 1 OR { 2984} (( segid " " and resid 47 and name HA )) (( segid " " and resid 46 and name HB2 )) OR { 2984} (( segid " " and resid 47 and name HA )) (( segid " " and resid 46 and name HB1 )) ASSI { 2985} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HB2 )) 2.300 0.700 0.700 peak 2985 spectrum 1 weight 0.10000E+01 volume 0.76928E-02 ppm1 4.230 ppm2 2.199 CV 1 OR { 2985} (( segid " " and resid 51 and name HA )) (( segid " " and resid 51 and name HB1 )) ASSI { 2993} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HB2 )) 2.300 0.600 0.600 peak 2993 spectrum 1 weight 0.10000E+01 volume 0.91697E-02 ppm1 4.029 ppm2 2.024 CV 1 OR { 2993} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HB1 )) OR { 2993} (( segid " " and resid 12 and name HA )) (( segid " " and resid 11 and name HB1 )) ASSI { 3005} (( segid " " and resid 47 and name HA )) ( segid " " and resid 50 and name HB% ) 2.400 0.700 0.700 peak 3005 spectrum 1 weight 0.10000E+01 volume 0.68820E-02 ppm1 4.227 ppm2 1.648 CV 1 OR { 3005} (( segid " " and resid 51 and name HA )) ( segid " " and resid 50 and name HB% ) ASSI { 3007} (( segid " " and resid 58 and name HA )) ( segid " " and resid 58 and name HG2%) 2.700 0.900 0.900 peak 3007 spectrum 1 weight 0.10000E+01 volume 0.79850E-02 ppm1 4.680 ppm2 0.963 CV 1 OR { 3007} (( segid " " and resid 56 and name HA )) (( segid " " and resid 55 and name HG2 )) OR { 3007} (( segid " " and resid 56 and name HA )) ( segid " " and resid 82 and name HD2%) OR { 3007} (( segid " " and resid 56 and name HA )) ( segid " " and resid 58 and name HG2%) OR { 3007} (( segid " " and resid 58 and name HA )) ( segid " " and resid 82 and name HD2%) ASSI { 3014} (( segid " " and resid 72 and name HA )) (( segid " " and resid 75 and name HN )) 3.100 1.200 1.200 peak 3014 spectrum 1 weight 0.10000E+01 volume 0.16225E-02 ppm1 3.605 ppm2 8.717 CV 1 OR { 3014} (( segid " " and resid 72 and name HA )) (( segid " " and resid 76 and name HN )) ASSI { 3019} (( segid " " and resid 11 and name HA )) (( segid " " and resid 30 and name HZ )) 3.000 1.100 1.100 peak 3019 spectrum 1 weight 0.10000E+01 volume 0.14679E-02 ppm1 3.522 ppm2 7.332 CV 1 OR { 3019} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HE )) ASSI { 3029} (( segid " " and resid 54 and name HA )) (( segid " " and resid 54 and name HB1 )) 2.100 0.500 0.500 peak 3029 spectrum 1 weight 0.10000E+01 volume 0.20874E-01 ppm1 4.381 ppm2 4.109 CV 1 OR { 3029} (( segid " " and resid 54 and name HA )) (( segid " " and resid 54 and name HB2 )) OR { 3029} (( segid " " and resid 54 and name HA )) (( segid " " and resid 57 and name HA2 )) ASSI { 3030} (( segid " " and resid 53 and name HA )) (( segid " " and resid 53 and name HG1 )) 2.700 0.900 0.900 peak 3030 spectrum 1 weight 0.10000E+01 volume 0.39336E-02 ppm1 4.088 ppm2 2.764 CV 1 OR { 3030} (( segid " " and resid 53 and name HA )) (( segid " " and resid 56 and name HB2 )) ASSI { 3034} (( segid " " and resid 42 and name HA )) (( segid " " and resid 40 and name HB2 )) 4.700 2.800 1.300 peak 3034 spectrum 1 weight 0.10000E+01 volume 0.62629E-03 ppm1 4.257 ppm2 2.806 CV 1 OR { 3034} (( segid " " and resid 42 and name HA )) (( segid " " and resid 62 and name HB1 )) ASSI { 3041} (( segid " " and resid 42 and name HA )) ( segid " " and resid 65 and name HB% ) 3.900 1.900 1.900 peak 3041 spectrum 1 weight 0.10000E+01 volume 0.14300E-02 ppm1 4.258 ppm2 1.372 CV 1 OR { 3041} (( segid " " and resid 42 and name HA )) (( segid " " and resid 45 and name HG )) ASSI { 3049} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HB2 )) 2.500 0.800 0.800 peak 3049 spectrum 1 weight 0.10000E+01 volume 0.38656E-02 ppm1 3.606 ppm2 1.635 CV 1 OR { 3049} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HG1 )) OR { 3049} (( segid " " and resid 72 and name HA )) (( segid " " and resid 31 and name HB1 )) ASSI { 3050} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HG2 )) 2.800 1.000 1.000 peak 3050 spectrum 1 weight 0.10000E+01 volume 0.43617E-02 ppm1 3.606 ppm2 1.528 CV 1 OR { 3050} (( segid " " and resid 72 and name HA )) (( segid " " and resid 75 and name HB2 )) ASSI { 3052} (( segid " " and resid 11 and name HA )) (( segid " " and resid 10 and name HG )) 3.400 1.400 1.400 peak 3052 spectrum 1 weight 0.10000E+01 volume 0.11239E-02 ppm1 3.523 ppm2 1.890 CV 1 OR { 3052} (( segid " " and resid 11 and name HA )) (( segid " " and resid 14 and name HG )) ASSI { 3053} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HG1 )) 2.800 1.000 1.000 peak 3053 spectrum 1 weight 0.10000E+01 volume 0.22514E-02 ppm1 3.521 ppm2 1.410 CV 1 OR { 3053} (( segid " " and resid 11 and name HA )) ( segid " " and resid 7 and name HG2%) ASSI { 3054} (( segid " " and resid 11 and name HA )) ( segid " " and resid 14 and name HD2%) 3.200 1.300 1.300 peak 3054 spectrum 1 weight 0.10000E+01 volume 0.21666E-02 ppm1 3.520 ppm2 0.891 CV 1 OR { 3054} (( segid " " and resid 11 and name HA )) ( segid " " and resid 38 and name HD1%) ASSI { 3055} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HG2 )) 2.900 1.100 1.100 peak 3055 spectrum 1 weight 0.10000E+01 volume 0.26486E-02 ppm1 3.522 ppm2 1.154 CV 1 OR { 3055} (( segid " " and resid 11 and name HA )) ( segid " " and resid 10 and name HD2%) ASSI { 3090} (( segid " " and resid 68 and name HA )) (( segid " " and resid 70 and name HN )) 3.400 1.400 1.400 peak 3090 spectrum 1 weight 0.10000E+01 volume 0.18973E-02 ppm1 4.439 ppm2 7.473 CV 1 OR { 3090} (( segid " " and resid 68 and name HA )) (( segid " " and resid 67 and name HN )) ASSI { 3092} (( segid " " and resid 38 and name HA )) (( segid " " and resid 38 and name HN )) 2.600 0.900 0.900 peak 3092 spectrum 1 weight 0.10000E+01 volume 0.35183E-02 ppm1 4.660 ppm2 7.710 CV 1 OR { 3092} (( segid " " and resid 38 and name HA )) (( segid " " and resid 39 and name HN )) ASSI { 3149} (( segid " " and resid 35 and name HA )) ( segid " " and resid 38 and name HD1%) 2.700 0.900 0.900 peak 3149 spectrum 1 weight 0.10000E+01 volume 0.30492E-02 ppm1 4.370 ppm2 0.871 CV 1 OR { 3149} (( segid " " and resid 3 and name HA )) ( segid " " and resid 4 and name HD1%) ASSI { 3154} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 17 and name HN )) 2.700 0.900 0.900 peak 3154 spectrum 1 weight 0.10000E+01 volume 0.36235E-02 ppm1 4.137 ppm2 7.820 CV 1 OR { 3154} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 18 and name HN )) ASSI { 3155} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 17 and name HN )) 2.500 0.800 0.800 peak 3155 spectrum 1 weight 0.10000E+01 volume 0.39418E-02 ppm1 4.053 ppm2 7.821 CV 1 OR { 3155} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 18 and name HN )) ASSI { 3176} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 58 and name HA )) 4.200 2.200 1.800 peak 3176 spectrum 1 weight 0.10000E+01 volume 0.55311E-03 ppm1 3.749 ppm2 4.672 CV 1 OR { 3176} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 60 and name HA )) ASSI { 3177} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 58 and name HA )) 4.100 2.100 1.900 peak 3177 spectrum 1 weight 0.10000E+01 volume 0.55156E-03 ppm1 3.799 ppm2 4.668 CV 1 OR { 3177} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 60 and name HA )) ASSI { 3178} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 14 and name HA )) 3.300 1.300 1.300 peak 3178 spectrum 1 weight 0.10000E+01 volume 0.10099E-02 ppm1 4.044 ppm2 4.403 CV 1 OR { 3178} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 48 and name HB )) ASSI { 3181} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 14 and name HA )) 3.300 1.300 1.300 peak 3181 spectrum 1 weight 0.10000E+01 volume 0.10148E-02 ppm1 4.136 ppm2 4.397 CV 1 OR { 3181} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 18 and name HA )) OR { 3181} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 48 and name HB )) ASSI { 3184} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 47 and name HB2 )) 4.800 2.900 1.200 peak 3184 spectrum 1 weight 0.10000E+01 volume 0.52802E-03 ppm1 4.054 ppm2 2.208 CV 1 OR { 3184} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 51 and name HB1 )) ASSI { 3186} (( segid " " and resid 64 and name HA )) (( segid " " and resid 67 and name HB1 )) 3.000 1.100 1.100 peak 3186 spectrum 1 weight 0.10000E+01 volume 0.13792E-02 ppm1 3.826 ppm2 2.078 CV 1 OR { 3186} (( segid " " and resid 64 and name HA )) (( segid " " and resid 61 and name HB2 )) ASSI { 3190} (( segid " " and resid 78 and name HA )) (( segid " " and resid 78 and name HB )) 2.800 1.000 1.000 peak 3190 spectrum 1 weight 0.10000E+01 volume 0.24957E-02 ppm1 3.739 ppm2 1.934 CV 1 OR { 3190} (( segid " " and resid 78 and name HA )) (( segid " " and resid 77 and name HB2 )) ASSI { 3192} (( segid " " and resid 78 and name HA )) ( segid " " and resid 81 and name HB% ) 2.700 0.900 0.900 peak 3192 spectrum 1 weight 0.10000E+01 volume 0.35283E-02 ppm1 3.739 ppm2 1.624 CV 1 OR { 3192} (( segid " " and resid 59 and name HB2 )) ( segid " " and resid 81 and name HB% ) ASSI { 3195} (( segid " " and resid 17 and name HB1 )) ( segid " " and resid 48 and name HG2%) 4.400 2.400 1.600 peak 3195 spectrum 1 weight 0.10000E+01 volume 0.45710E-03 ppm1 4.138 ppm2 1.124 CV 1 OR { 3195} (( segid " " and resid 17 and name HB1 )) ( segid " " and resid 15 and name HG2%) ASSI { 3196} (( segid " " and resid 17 and name HB2 )) ( segid " " and resid 48 and name HG2%) 4.100 2.100 1.900 peak 3196 spectrum 1 weight 0.10000E+01 volume 0.58208E-03 ppm1 4.052 ppm2 1.120 CV 1 OR { 3196} (( segid " " and resid 17 and name HB2 )) ( segid " " and resid 15 and name HG2%) ASSI { 3197} (( segid " " and resid 17 and name HB1 )) ( segid " " and resid 44 and name HB% ) 3.800 1.800 1.800 peak 3197 spectrum 1 weight 0.10000E+01 volume 0.98596E-03 ppm1 4.137 ppm2 1.524 CV 1 OR { 3197} (( segid " " and resid 17 and name HB1 )) ( segid " " and resid 18 and name HB% ) ASSI { 3198} (( segid " " and resid 17 and name HB2 )) ( segid " " and resid 18 and name HB% ) 4.100 2.100 1.900 peak 3198 spectrum 1 weight 0.10000E+01 volume 0.11089E-02 ppm1 4.053 ppm2 1.529 CV 1 OR { 3198} (( segid " " and resid 17 and name HB2 )) ( segid " " and resid 44 and name HB% ) ASSI { 3200} (( segid " " and resid 78 and name HA )) ( segid " " and resid 58 and name HG2%) 3.100 1.200 1.200 peak 3200 spectrum 1 weight 0.10000E+01 volume 0.22633E-02 ppm1 3.739 ppm2 0.966 CV 1 OR { 3200} (( segid " " and resid 78 and name HA )) ( segid " " and resid 82 and name HD2%) OR { 3200} (( segid " " and resid 59 and name HB2 )) ( segid " " and resid 58 and name HG2%) OR { 3200} (( segid " " and resid 78 and name HA )) ( segid " " and resid 82 and name HD1%) ASSI { 3201} (( segid " " and resid 78 and name HA )) ( segid " " and resid 78 and name HG2%) 2.300 0.600 0.600 peak 3201 spectrum 1 weight 0.10000E+01 volume 0.79582E-02 ppm1 3.739 ppm2 0.861 CV 1 OR { 3201} (( segid " " and resid 78 and name HA )) ( segid " " and resid 60 and name HD1%) OR { 3201} (( segid " " and resid 78 and name HA )) ( segid " " and resid 52 and name HD1%) ASSI { 3213} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 47 and name HG1 )) 5.200 3.300 0.800 peak 3213 spectrum 1 weight 0.10000E+01 volume 0.29087E-03 ppm1 4.059 ppm2 2.608 CV 1 OR { 3213} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 16 and name HG1 )) ASSI { 3227} (( segid " " and resid 15 and name HA )) (( segid " " and resid 16 and name HN )) 3.300 1.400 1.400 peak 3227 spectrum 1 weight 0.10000E+01 volume 0.14943E-02 ppm1 3.938 ppm2 8.224 CV 1 OR { 3227} (( segid " " and resid 15 and name HA )) (( segid " " and resid 19 and name HN )) ASSI { 3228} (( segid " " and resid 15 and name HA )) (( segid " " and resid 18 and name HN )) 3.300 1.400 1.400 peak 3228 spectrum 1 weight 0.10000E+01 volume 0.12140E-02 ppm1 3.937 ppm2 7.825 CV 1 OR { 3228} (( segid " " and resid 15 and name HA )) (( segid " " and resid 17 and name HN )) ASSI { 3246} (( segid " " and resid 71 and name HA )) (( segid " " and resid 74 and name HB1 )) 2.700 0.900 0.900 peak 3246 spectrum 1 weight 0.10000E+01 volume 0.30480E-02 ppm1 4.226 ppm2 2.422 CV 1 OR { 3246} (( segid " " and resid 71 and name HA )) (( segid " " and resid 68 and name HB )) ASSI { 3249} (( segid " " and resid 71 and name HA )) (( segid " " and resid 10 and name HG )) 4.500 2.500 1.500 peak 3249 spectrum 1 weight 0.10000E+01 volume 0.38921E-03 ppm1 4.222 ppm2 1.894 CV 1 OR { 3249} (( segid " " and resid 71 and name HA )) (( segid " " and resid 72 and name HB1 )) OR { 3249} (( segid " " and resid 71 and name HA )) (( segid " " and resid 77 and name HB2 )) ASSI { 3256} (( segid " " and resid 71 and name HA )) (( segid " " and resid 75 and name HB2 )) 4.700 2.800 1.300 peak 3256 spectrum 1 weight 0.10000E+01 volume 0.37952E-03 ppm1 4.224 ppm2 1.567 CV 1 OR { 3256} (( segid " " and resid 71 and name HA )) (( segid " " and resid 10 and name HB2 )) ASSI { 3258} (( segid " " and resid 71 and name HA )) ( segid " " and resid 10 and name HD2%) 2.900 1.100 1.100 peak 3258 spectrum 1 weight 0.10000E+01 volume 0.22935E-02 ppm1 4.225 ppm2 1.118 CV 1 OR { 3258} (( segid " " and resid 71 and name HA )) ( segid " " and resid 68 and name HG1%) ASSI { 3259} (( segid " " and resid 71 and name HA )) (( segid " " and resid 74 and name HG )) 3.900 1.900 1.900 peak 3259 spectrum 1 weight 0.10000E+01 volume 0.14337E-02 ppm1 4.225 ppm2 0.982 CV 1 OR { 3259} (( segid " " and resid 71 and name HA )) ( segid " " and resid 77 and name HD1%) ASSI { 3262} (( segid " " and resid 42 and name HB2 )) ( segid " " and resid 42 and name H31%) 3.900 1.900 1.900 peak 3262 spectrum 1 weight 0.10000E+01 volume 0.54991E-03 ppm1 4.344 ppm2 1.071 CV 1 OR { 3262} (( segid " " and resid 42 and name HB2 )) ( segid " " and resid 43 and name HD2%) ASSI { 3263} (( segid " " and resid 71 and name HA )) ( segid " " and resid 14 and name HD2%) 3.600 1.600 1.600 peak 3263 spectrum 1 weight 0.10000E+01 volume 0.12237E-02 ppm1 4.225 ppm2 0.889 CV 1 OR { 3263} (( segid " " and resid 71 and name HA )) ( segid " " and resid 38 and name HD1%) OR { 3263} (( segid " " and resid 71 and name HA )) ( segid " " and resid 75 and name HD2%) ASSI { 3264} (( segid " " and resid 71 and name HA )) ( segid " " and resid 14 and name HD1%) 4.000 2.000 2.000 peak 3264 spectrum 1 weight 0.10000E+01 volume 0.75843E-03 ppm1 4.225 ppm2 0.772 CV 1 OR { 3264} (( segid " " and resid 71 and name HA )) ( segid " " and resid 31 and name HD2%) OR { 3264} (( segid " " and resid 71 and name HA )) ( segid " " and resid 75 and name HD1%) ASSI { 3271} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 42 and name H28B)) 3.800 1.800 1.800 peak 3271 spectrum 1 weight 0.10000E+01 volume 0.63636E-03 ppm1 4.341 ppm2 3.909 CV 1 OR { 3271} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 66 and name HA2 )) ASSI { 3273} (( segid " " and resid 42 and name HB1 )) (( segid " " and resid 42 and name H28B)) 3.700 1.800 1.800 peak 3273 spectrum 1 weight 0.10000E+01 volume 0.72569E-03 ppm1 4.188 ppm2 3.895 CV 1 OR { 3273} (( segid " " and resid 42 and name HB1 )) (( segid " " and resid 66 and name HA2 )) ASSI { 3275} (( segid " " and resid 7 and name HA )) (( segid " " and resid 7 and name HN )) 2.700 0.900 0.900 peak 3275 spectrum 1 weight 0.10000E+01 volume 0.28169E-02 ppm1 3.864 ppm2 8.836 CV 1 OR { 3275} (( segid " " and resid 7 and name HA )) (( segid " " and resid 11 and name HN )) ASSI { 3284} (( segid " " and resid 7 and name HA )) (( segid " " and resid 9 and name HB2 )) 4.800 2.800 1.200 peak 3284 spectrum 1 weight 0.10000E+01 volume 0.31616E-03 ppm1 3.866 ppm2 2.709 CV 1 OR { 3284} (( segid " " and resid 7 and name HA )) (( segid " " and resid 8 and name HB1 )) OR { 3284} (( segid " " and resid 7 and name HA )) (( segid " " and resid 8 and name HB2 )) ASSI { 3287} (( segid " " and resid 7 and name HA )) (( segid " " and resid 71 and name HB2 )) 4.600 2.700 1.400 peak 3287 spectrum 1 weight 0.10000E+01 volume 0.26574E-03 ppm1 3.859 ppm2 2.020 CV 1 OR { 3287} (( segid " " and resid 7 and name HA )) (( segid " " and resid 12 and name HB1 )) OR { 3287} (( segid " " and resid 7 and name HA )) (( segid " " and resid 12 and name HB2 )) ASSI { 3290} (( segid " " and resid 7 and name HA )) (( segid " " and resid 10 and name HB2 )) 3.500 1.500 1.500 peak 3290 spectrum 1 weight 0.10000E+01 volume 0.16228E-02 ppm1 3.863 ppm2 1.563 CV 1 OR { 3290} (( segid " " and resid 7 and name HA )) (( segid " " and resid 75 and name HB2 )) ASSI { 3294} (( segid " " and resid 7 and name HA )) ( segid " " and resid 31 and name HD2%) 3.000 1.100 1.100 peak 3294 spectrum 1 weight 0.10000E+01 volume 0.25051E-02 ppm1 3.864 ppm2 0.788 CV 1 OR { 3294} (( segid " " and resid 7 and name HA )) ( segid " " and resid 75 and name HD1%) ASSI { 3309} (( segid " " and resid 48 and name HA )) (( segid " " and resid 48 and name HB )) 3.400 1.500 1.500 peak 3309 spectrum 1 weight 0.10000E+01 volume 0.87875E-03 ppm1 3.956 ppm2 4.417 CV 1 OR { 3309} (( segid " " and resid 48 and name HA )) (( segid " " and resid 14 and name HA )) OR { 3309} (( segid " " and resid 48 and name HA )) (( segid " " and resid 13 and name HA )) ASSI { 3320} (( segid " " and resid 48 and name HA )) (( segid " " and resid 51 and name HB1 )) 3.000 1.100 1.100 peak 3320 spectrum 1 weight 0.10000E+01 volume 0.17696E-02 ppm1 3.955 ppm2 2.198 CV 1 OR { 3320} (( segid " " and resid 48 and name HA )) (( segid " " and resid 52 and name HB1 )) ASSI { 3321} (( segid " " and resid 48 and name HA )) (( segid " " and resid 51 and name HB2 )) 3.100 1.200 1.200 peak 3321 spectrum 1 weight 0.10000E+01 volume 0.16144E-02 ppm1 3.955 ppm2 2.020 CV 1 OR { 3321} (( segid " " and resid 48 and name HA )) (( segid " " and resid 52 and name HG )) ASSI { 3322} (( segid " " and resid 48 and name HA )) ( segid " " and resid 13 and name HB% ) 3.600 1.600 1.600 peak 3322 spectrum 1 weight 0.10000E+01 volume 0.78296E-03 ppm1 3.957 ppm2 1.669 CV 1 OR { 3322} (( segid " " and resid 48 and name HA )) ( segid " " and resid 50 and name HB% ) ASSI { 3330} (( segid " " and resid 7 and name HB )) ( segid " " and resid 31 and name HD2%) 4.700 2.800 1.300 peak 3330 spectrum 1 weight 0.10000E+01 volume 0.39910E-03 ppm1 4.316 ppm2 0.784 CV 1 OR { 3330} (( segid " " and resid 7 and name HB )) ( segid " " and resid 75 and name HD1%) ASSI { 3352} (( segid " " and resid 3 and name HB )) ( segid " " and resid 82 and name HD2%) 3.600 1.600 1.600 peak 3352 spectrum 1 weight 0.10000E+01 volume 0.10851E-02 ppm1 4.181 ppm2 0.981 CV 1 OR { 3352} (( segid " " and resid 3 and name HB )) ( segid " " and resid 4 and name HD2%) OR { 3352} (( segid " " and resid 3 and name HB )) ( segid " " and resid 82 and name HD1%) ASSI { 3375} (( segid " " and resid 35 and name HZ )) (( segid " " and resid 74 and name HG )) 3.800 1.800 1.800 peak 3375 spectrum 1 weight 0.10000E+01 volume 0.68232E-03 ppm1 6.884 ppm2 0.982 CV 1 OR { 3375} (( segid " " and resid 35 and name HZ )) ( segid " " and resid 77 and name HD1%) ASSI { 3379} (( segid " " and resid 35 and name HZ )) ( segid " " and resid 14 and name HD1%) 4.400 2.400 1.600 peak 3379 spectrum 1 weight 0.10000E+01 volume 0.38252E-03 ppm1 6.884 ppm2 0.761 CV 1 OR { 3379} (( segid " " and resid 35 and name HZ )) ( segid " " and resid 31 and name HD2%) ASSI { 3391} (( segid " " and resid 35 and name HZ )) (( segid " " and resid 74 and name HB1 )) 4.600 2.600 1.400 peak 3391 spectrum 1 weight 0.10000E+01 volume 0.22627E-03 ppm1 6.881 ppm2 2.415 CV 1 OR { 3391} (( segid " " and resid 35 and name HZ )) (( segid " " and resid 68 and name HB )) ASSI { 3395} (( segid " " and resid 35 and name HZ )) ( segid " " and resid 14 and name HD2%) 5.200 3.300 0.800 peak 3395 spectrum 1 weight 0.10000E+01 volume 0.16139E-03 ppm1 6.886 ppm2 0.884 CV 1 OR { 3395} (( segid " " and resid 35 and name HZ )) ( segid " " and resid 38 and name HD1%) OR { 3395} (( segid " " and resid 35 and name HZ )) ( segid " " and resid 75 and name HD2%) ASSI { 3400} (( segid " " and resid 30 and name HZ )) ( segid " " and resid 14 and name HD2%) 4.300 2.300 1.700 peak 3400 spectrum 1 weight 0.10000E+01 volume 0.38376E-03 ppm1 7.331 ppm2 0.893 CV 1 OR { 3400} (( segid " " and resid 30 and name HZ )) ( segid " " and resid 38 and name HD1%) OR { 3400} (( segid " " and resid 30 and name HZ )) ( segid " " and resid 75 and name HD2%) ASSI { 3401} (( segid " " and resid 30 and name HZ )) ( segid " " and resid 10 and name HD2%) 3.800 1.800 1.800 peak 3401 spectrum 1 weight 0.10000E+01 volume 0.50765E-03 ppm1 7.339 ppm2 1.128 CV 1 OR { 3401} (( segid " " and resid 30 and name HZ )) ( segid " " and resid 48 and name HG2%) ASSI { 3402} (( segid " " and resid 30 and name HZ )) ( segid " " and resid 7 and name HG2%) 3.700 1.700 1.700 peak 3402 spectrum 1 weight 0.10000E+01 volume 0.76804E-03 ppm1 7.337 ppm2 1.383 CV 1 OR { 3402} (( segid " " and resid 30 and name HZ )) (( segid " " and resid 11 and name HG1 )) ASSI { 3406} (( segid " " and resid 30 and name HZ )) (( segid " " and resid 11 and name HB1 )) 3.400 1.500 1.500 peak 3406 spectrum 1 weight 0.10000E+01 volume 0.88810E-03 ppm1 7.342 ppm2 2.031 CV 1 OR { 3406} (( segid " " and resid 30 and name HZ )) (( segid " " and resid 11 and name HB2 )) OR { 3406} (( segid " " and resid 30 and name HZ )) (( segid " " and resid 71 and name HB2 )) ASSI { 3411} ( segid " " and resid 30 and name HE% ) ( segid " " and resid 14 and name HD2%) 3.000 1.100 1.100 peak 3411 spectrum 1 weight 0.10000E+01 volume 0.16402E-02 ppm1 7.209 ppm2 0.891 CV 1 OR { 3411} ( segid " " and resid 30 and name HE% ) ( segid " " and resid 38 and name HD1%) ASSI { 3412} ( segid " " and resid 30 and name HE% ) ( segid " " and resid 14 and name HD1%) 3.500 1.500 1.500 peak 3412 spectrum 1 weight 0.10000E+01 volume 0.74490E-03 ppm1 7.213 ppm2 0.787 CV 1 OR { 3412} ( segid " " and resid 30 and name HE% ) ( segid " " and resid 26 and name HD2%) OR { 3412} ( segid " " and resid 30 and name HE% ) ( segid " " and resid 31 and name HD2%) ASSI { 3416} ( segid " " and resid 30 and name HE% ) ( segid " " and resid 10 and name HD2%) 3.200 1.300 1.300 peak 3416 spectrum 1 weight 0.10000E+01 volume 0.15074E-02 ppm1 7.209 ppm2 1.128 CV 1 OR { 3416} ( segid " " and resid 30 and name HE% ) ( segid " " and resid 48 and name HG2%) ASSI { 3419} ( segid " " and resid 30 and name HE% ) (( segid " " and resid 11 and name HB1 )) 3.000 1.200 1.200 peak 3419 spectrum 1 weight 0.10000E+01 volume 0.15018E-02 ppm1 7.211 ppm2 2.027 CV 1 OR { 3419} ( segid " " and resid 30 and name HE% ) (( segid " " and resid 71 and name HB2 )) OR { 3419} ( segid " " and resid 30 and name HE% ) (( segid " " and resid 11 and name HB2 )) ASSI { 3422} ( segid " " and resid 30 and name HE% ) (( segid " " and resid 30 and name HB1 )) 4.400 2.400 1.600 peak 3422 spectrum 1 weight 0.10000E+01 volume 0.55848E-03 ppm1 7.211 ppm2 3.290 CV 1 OR { 3422} ( segid " " and resid 30 and name HE% ) (( segid " " and resid 31 and name HA )) ASSI { 3426} ( segid " " and resid 30 and name HE% ) (( segid " " and resid 30 and name HN )) 4.300 2.300 1.700 peak 3426 spectrum 1 weight 0.10000E+01 volume 0.35485E-03 ppm1 7.209 ppm2 8.044 CV 1 OR { 3426} ( segid " " and resid 30 and name HE% ) (( segid " " and resid 30 and name HN )) OR { 3426} ( segid " " and resid 30 and name HE% ) (( segid " " and resid 32 and name HN )) ASSI { 3434} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 38 and name HG2%) 3.500 1.500 1.500 peak 3434 spectrum 1 weight 0.10000E+01 volume 0.77976E-03 ppm1 6.968 ppm2 1.059 CV 1 OR { 3434} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 10 and name HD1%) OR { 3434} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 74 and name HD2%) OR { 3434} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 74 and name HD1%) ASSI { 3435} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 38 and name HD1%) 3.200 1.300 1.300 peak 3435 spectrum 1 weight 0.10000E+01 volume 0.19756E-02 ppm1 6.967 ppm2 0.872 CV 1 OR { 3435} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 14 and name HD2%) ASSI { 3441} ( segid " " and resid 35 and name HE% ) ( segid " " and resid 14 and name HD2%) 3.100 1.200 1.200 peak 3441 spectrum 1 weight 0.10000E+01 volume 0.12187E-02 ppm1 6.923 ppm2 0.881 CV 1 OR { 3441} ( segid " " and resid 35 and name HE% ) ( segid " " and resid 38 and name HD1%) ASSI { 3449} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 38 and name HG12)) 4.300 2.300 1.700 peak 3449 spectrum 1 weight 0.10000E+01 volume 0.64710E-03 ppm1 7.113 ppm2 1.530 CV 1 OR { 3449} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 45 and name HB2 )) ASSI { 3450} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 45 and name HB2 )) 3.000 1.100 1.100 peak 3450 spectrum 1 weight 0.10000E+01 volume 0.35902E-02 ppm1 6.967 ppm2 1.523 CV 1 OR { 3450} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 44 and name HB% ) OR { 3450} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 38 and name HG12)) ASSI { 3454} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 38 and name HG11)) 4.500 2.500 1.500 peak 3454 spectrum 1 weight 0.10000E+01 volume 0.48913E-03 ppm1 7.110 ppm2 1.830 CV 1 OR { 3454} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 34 and name HB2 )) ASSI { 3461} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 68 and name HB )) 3.300 1.300 1.300 peak 3461 spectrum 1 weight 0.10000E+01 volume 0.77842E-03 ppm1 6.921 ppm2 2.415 CV 1 OR { 3461} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 74 and name HB1 )) ASSI { 3462} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 68 and name HB )) 4.800 2.900 1.200 peak 3462 spectrum 1 weight 0.10000E+01 volume 0.30050E-03 ppm1 7.115 ppm2 2.414 CV 1 OR { 3462} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 74 and name HB1 )) ASSI { 3469} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 40 and name HB1 )) 5.000 3.200 1.000 peak 3469 spectrum 1 weight 0.10000E+01 volume 0.29623E-03 ppm1 6.922 ppm2 3.005 CV 1 OR { 3469} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 69 and name HB1 )) ASSI { 3477} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 35 and name HA )) 4.200 2.200 1.800 peak 3477 spectrum 1 weight 0.10000E+01 volume 0.95848E-03 ppm1 6.968 ppm2 4.369 CV 1 OR { 3477} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 14 and name HA )) OR { 3477} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 36 and name HA )) ASSI { 3478} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 39 and name HA1 )) 3.600 1.700 1.700 peak 3478 spectrum 1 weight 0.10000E+01 volume 0.55007E-03 ppm1 6.965 ppm2 4.262 CV 1 OR { 3478} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 42 and name HA )) OR { 3478} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 46 and name HA )) ASSI { 3479} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 35 and name HA )) 4.200 2.200 1.800 peak 3479 spectrum 1 weight 0.10000E+01 volume 0.58689E-03 ppm1 6.924 ppm2 4.372 CV 1 OR { 3479} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 14 and name HA )) ASSI { 3485} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 38 and name HN )) 5.700 4.100 0.300 peak 3485 spectrum 1 weight 0.10000E+01 volume 0.23629E-03 ppm1 7.114 ppm2 7.716 CV 1 OR { 3485} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 74 and name HN )) OR { 3485} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 39 and name HN )) ASSI { 3494} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 35 and name HN )) 5.100 3.200 0.900 peak 3494 spectrum 1 weight 0.10000E+01 volume 0.20885E-03 ppm1 6.925 ppm2 8.462 CV 1 OR { 3494} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 45 and name HN )) ASSI { 3503} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 7 and name HG2%) 3.500 1.500 1.500 peak 3503 spectrum 1 weight 0.10000E+01 volume 0.10929E-02 ppm1 7.305 ppm2 1.384 CV 1 OR { 3503} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 33 and name HB2 )) ASSI { 3504} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 31 and name HG )) 3.700 1.700 1.700 peak 3504 spectrum 1 weight 0.10000E+01 volume 0.71516E-03 ppm1 7.304 ppm2 1.223 CV 1 OR { 3504} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 26 and name HB2 )) ASSI { 3505} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 33 and name HD2%) 3.800 1.800 1.800 peak 3505 spectrum 1 weight 0.10000E+01 volume 0.10694E-02 ppm1 7.300 ppm2 1.058 CV 1 OR { 3505} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 38 and name HG2%) OR { 3505} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 31 and name HB2 )) OR { 3505} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 70 and name HG2%) ASSI { 3506} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 38 and name HD1%) 3.100 1.200 1.200 peak 3506 spectrum 1 weight 0.10000E+01 volume 0.15989E-02 ppm1 7.301 ppm2 0.880 CV 1 OR { 3506} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 14 and name HD2%) ASSI { 3507} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 26 and name HD2%) 3.800 1.800 1.800 peak 3507 spectrum 1 weight 0.10000E+01 volume 0.99665E-03 ppm1 7.304 ppm2 0.788 CV 1 OR { 3507} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 14 and name HD1%) OR { 3507} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 31 and name HD2%) ASSI { 3513} ( segid " " and resid 56 and name HD% ) (( segid " " and resid 55 and name HB2 )) 3.300 1.300 1.300 peak 3513 spectrum 1 weight 0.10000E+01 volume 0.14575E-02 ppm1 7.439 ppm2 1.614 CV 1 OR { 3513} ( segid " " and resid 56 and name HD% ) (( segid " " and resid 5 and name HB1 )) OR { 3513} ( segid " " and resid 56 and name HD% ) ( segid " " and resid 81 and name HB% ) ASSI { 3515} ( segid " " and resid 56 and name HD% ) (( segid " " and resid 55 and name HG1 )) 3.700 1.700 1.700 peak 3515 spectrum 1 weight 0.10000E+01 volume 0.98090E-03 ppm1 7.439 ppm2 1.381 CV 1 OR { 3515} ( segid " " and resid 56 and name HD% ) (( segid " " and resid 5 and name HB2 )) ASSI { 3516} ( segid " " and resid 56 and name HD% ) ( segid " " and resid 52 and name HD2%) 2.800 1.000 1.000 peak 3516 spectrum 1 weight 0.10000E+01 volume 0.36992E-02 ppm1 7.437 ppm2 1.012 CV 1 OR { 3516} ( segid " " and resid 56 and name HD% ) (( segid " " and resid 55 and name HG2 )) OR { 3516} ( segid " " and resid 56 and name HD% ) ( segid " " and resid 82 and name HD2%) ASSI { 3517} ( segid " " and resid 56 and name HD% ) ( segid " " and resid 78 and name HG2%) 3.800 1.800 1.800 peak 3517 spectrum 1 weight 0.10000E+01 volume 0.86331E-03 ppm1 7.437 ppm2 0.868 CV 1 OR { 3517} ( segid " " and resid 56 and name HD% ) ( segid " " and resid 52 and name HD1%) ASSI { 3522} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 30 and name HB1 )) 2.500 0.800 0.800 peak 3522 spectrum 1 weight 0.10000E+01 volume 0.46110E-02 ppm1 7.302 ppm2 3.294 CV 1 OR { 3522} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 31 and name HA )) ASSI { 3525} ( segid " " and resid 56 and name HD% ) (( segid " " and resid 53 and name HA )) 4.500 2.500 1.500 peak 3525 spectrum 1 weight 0.10000E+01 volume 0.49158E-03 ppm1 7.439 ppm2 4.084 CV 1 OR { 3525} ( segid " " and resid 56 and name HD% ) (( segid " " and resid 55 and name HA )) OR { 3525} ( segid " " and resid 56 and name HD% ) (( segid " " and resid 57 and name HA2 )) OR { 3525} ( segid " " and resid 56 and name HD% ) (( segid " " and resid 57 and name HA1 )) ASSI { 3536} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 14 and name HD2%) 3.200 1.200 1.200 peak 3536 spectrum 1 weight 0.10000E+01 volume 0.14889E-02 ppm1 6.749 ppm2 0.873 CV 1 OR { 3536} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 38 and name HD1%) ASSI { 3540} ( segid " " and resid 56 and name HE% ) ( segid " " and resid 52 and name HD1%) 2.700 0.900 0.900 peak 3540 spectrum 1 weight 0.10000E+01 volume 0.12148E-02 ppm1 6.808 ppm2 0.863 CV 1 OR { 3540} ( segid " " and resid 56 and name HE% ) ( segid " " and resid 78 and name HG2%) ASSI { 3541} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 18 and name HB% ) 2.700 0.900 0.900 peak 3541 spectrum 1 weight 0.10000E+01 volume 0.40418E-02 ppm1 6.747 ppm2 1.530 CV 1 OR { 3541} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 44 and name HB% ) OR { 3541} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 45 and name HB2 )) ASSI { 3543} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 24 and name HG2%) 2.900 2.900 3.100 peak 3543 spectrum 1 weight 0.10000E+01 volume 0.96458E-03 ppm1 6.749 ppm2 1.257 CV 1 OR { 3543} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 26 and name HB2 )) ASSI { 3544} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 38 and name HG2%) 3.400 1.400 1.400 peak 3544 spectrum 1 weight 0.10000E+01 volume 0.12668E-02 ppm1 6.751 ppm2 1.050 CV 1 OR { 3544} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 10 and name HD1%) OR { 3544} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 74 and name HD2%) OR { 3544} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 74 and name HD1%) OR { 3544} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 52 and name HD2%) ASSI { 3545} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 55 and name HB2 )) 2.700 2.700 3.300 peak 3545 spectrum 1 weight 0.10000E+01 volume 0.12120E-02 ppm1 6.808 ppm2 1.614 CV 1 OR { 3545} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 5 and name HB1 )) ASSI { 3552} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 38 and name HB )) 3.500 1.600 1.600 peak 3552 spectrum 1 weight 0.10000E+01 volume 0.65737E-03 ppm1 6.749 ppm2 2.451 CV 1 OR { 3552} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 47 and name HG2 )) ASSI { 3553} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 9 and name HB1 )) 3.100 1.200 1.200 peak 3553 spectrum 1 weight 0.10000E+01 volume 0.12191E-02 ppm1 6.809 ppm2 3.028 CV 1 OR { 3553} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 55 and name HD2 )) ASSI { 3565} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 14 and name HA )) 3.100 1.200 1.200 peak 3565 spectrum 1 weight 0.10000E+01 volume 0.15249E-02 ppm1 6.750 ppm2 4.385 CV 1 OR { 3565} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 18 and name HA )) OR { 3565} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 48 and name HB )) ASSI { 3566} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 40 and name HA )) 4.000 2.000 2.000 peak 3566 spectrum 1 weight 0.10000E+01 volume 0.77098E-03 ppm1 6.752 ppm2 4.585 CV 1 OR { 3566} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 17 and name HA )) ASSI { 3568} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 9 and name HA )) 3.900 1.900 1.900 peak 3568 spectrum 1 weight 0.10000E+01 volume 0.51202E-03 ppm1 6.808 ppm2 4.530 CV 1 OR { 3568} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 5 and name HA )) ASSI { 3569} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 56 and name HN )) 2.900 2.900 3.100 peak 3569 spectrum 1 weight 0.10000E+01 volume 0.80630E-03 ppm1 6.809 ppm2 8.114 CV 1 OR { 3569} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 55 and name HN )) ASSI { 3570} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 45 and name HN )) 4.000 2.000 2.000 peak 3570 spectrum 1 weight 0.10000E+01 volume 0.80042E-03 ppm1 6.750 ppm2 8.462 CV 1 OR { 3570} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 15 and name HN )) ASSI { 8} (( segid " " and resid 50 and name HN )) ( segid " " and resid 49 and name HB% ) 2.600 0.800 0.800 peak 8 spectrum 1 weight 0.10000E+01 volume 0.60671E-02 ppm1 8.226 ppm2 1.520 CV 1 OR { 8} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HB2 )) ASSI { 10} (( segid " " and resid 50 and name HN )) (( segid " " and resid 50 and name HA )) 2.200 0.600 0.600 peak 10 spectrum 1 weight 0.10000E+01 volume 0.10366E-01 ppm1 8.226 ppm2 4.257 CV 1 OR { 10} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HA )) OR { 10} (( segid " " and resid 46 and name HN )) (( segid " " and resid 42 and name HA )) ASSI { 13} (( segid " " and resid 82 and name HN )) (( segid " " and resid 82 and name HG )) 2.400 0.700 0.700 peak 13 spectrum 1 weight 0.10000E+01 volume 0.42759E-02 ppm1 8.274 ppm2 1.832 CV 1 OR { 13} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HG )) ASSI { 15} (( segid " " and resid 82 and name HN )) ( segid " " and resid 82 and name HD1%) 3.000 1.200 1.200 peak 15 spectrum 1 weight 0.10000E+01 volume 0.41044E-02 ppm1 8.273 ppm2 0.969 CV 1 OR { 15} (( segid " " and resid 82 and name HN )) ( segid " " and resid 82 and name HD2%) OR { 15} (( segid " " and resid 78 and name HN )) ( segid " " and resid 58 and name HG2%) ASSI { 30} (( segid " " and resid 70 and name HN )) (( segid " " and resid 73 and name HB2 )) 3.100 1.200 1.200 peak 30 spectrum 1 weight 0.10000E+01 volume 0.16111E-02 ppm1 7.475 ppm2 2.274 CV 1 OR { 30} (( segid " " and resid 70 and name HN )) (( segid " " and resid 71 and name HB1 )) ASSI { 50} (( segid " " and resid 72 and name HE )) (( segid " " and resid 72 and name HB2 )) 2.900 1.100 1.100 peak 50 spectrum 1 weight 0.10000E+01 volume 0.14941E-02 ppm1 9.071 ppm2 1.630 CV 1 OR { 50} (( segid " " and resid 72 and name HE )) (( segid " " and resid 31 and name HB1 )) ASSI { 83} (( segid " " and resid 66 and name HN )) ( segid " " and resid 64 and name HG1%) 4.400 2.500 1.600 peak 83 spectrum 1 weight 0.10000E+01 volume 0.49488E-03 ppm1 8.034 ppm2 0.974 CV 1 OR { 83} (( segid " " and resid 66 and name HN )) ( segid " " and resid 77 and name HD1%) ASSI { 84} (( segid " " and resid 66 and name HN )) (( segid " " and resid 46 and name HG1 )) 3.200 1.300 1.300 peak 84 spectrum 1 weight 0.10000E+01 volume 0.45079E-03 ppm1 8.035 ppm2 2.837 CV 1 OR { 84} (( segid " " and resid 66 and name HN )) (( segid " " and resid 62 and name HB1 )) OR { 84} (( segid " " and resid 66 and name HN )) (( segid " " and resid 63 and name HB1 )) ASSI { 85} (( segid " " and resid 66 and name HN )) (( segid " " and resid 46 and name HG2 )) 3.800 1.800 1.800 peak 85 spectrum 1 weight 0.10000E+01 volume 0.35229E-03 ppm1 8.035 ppm2 2.744 CV 1 OR { 85} (( segid " " and resid 66 and name HN )) (( segid " " and resid 62 and name HB2 )) ASSI { 93} (( segid " " and resid 66 and name HN )) (( segid " " and resid 62 and name HA )) 4.000 2.000 2.000 peak 93 spectrum 1 weight 0.10000E+01 volume 0.43343E-03 ppm1 8.034 ppm2 4.441 CV 1 OR { 93} (( segid " " and resid 66 and name HN )) (( segid " " and resid 68 and name HA )) ASSI { 98} (( segid " " and resid 39 and name HN )) (( segid " " and resid 37 and name HB1 )) 4.100 2.100 1.900 peak 98 spectrum 1 weight 0.10000E+01 volume 0.31931E-03 ppm1 7.712 ppm2 3.096 CV 1 OR { 98} (( segid " " and resid 39 and name HN )) (( segid " " and resid 35 and name HB2 )) ASSI { 110} (( segid " " and resid 39 and name HN )) (( segid " " and resid 36 and name HA )) 3.500 1.500 1.500 peak 110 spectrum 1 weight 0.10000E+01 volume 0.12379E-02 ppm1 7.714 ppm2 4.358 CV 1 OR { 110} (( segid " " and resid 39 and name HN )) (( segid " " and resid 35 and name HA )) ASSI { 115} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HN )) 2.700 0.900 0.900 peak 115 spectrum 1 weight 0.10000E+01 volume 0.33620E-02 ppm1 8.242 ppm2 7.830 CV 1 OR { 115} (( segid " " and resid 19 and name HN )) (( segid " " and resid 17 and name HN )) ASSI { 125} (( segid " " and resid 79 and name HD21)) ( segid " " and resid 78 and name HG2%) 3.500 1.500 1.500 peak 125 spectrum 1 weight 0.10000E+01 volume 0.12416E-02 ppm1 7.330 ppm2 0.881 CV 1 OR { 125} (( segid " " and resid 79 and name HD21)) ( segid " " and resid 75 and name HD2%) ASSI { 128} (( segid " " and resid 79 and name HD22)) ( segid " " and resid 75 and name HD2%) 3.200 1.300 1.300 peak 128 spectrum 1 weight 0.10000E+01 volume 0.13238E-02 ppm1 7.669 ppm2 0.874 CV 1 OR { 128} (( segid " " and resid 79 and name HD22)) ( segid " " and resid 78 and name HG2%) ASSI { 131} (( segid " " and resid 79 and name HD22)) (( segid " " and resid 5 and name HG )) 3.800 1.800 1.800 peak 131 spectrum 1 weight 0.10000E+01 volume 0.79546E-03 ppm1 7.671 ppm2 1.582 CV 1 OR { 131} (( segid " " and resid 79 and name HD22)) (( segid " " and resid 4 and name HB1 )) OR { 131} (( segid " " and resid 79 and name HD22)) (( segid " " and resid 5 and name HB1 )) ASSI { 138} (( segid " " and resid 79 and name HD21)) ( segid " " and resid 4 and name HD2%) 3.600 1.600 1.600 peak 138 spectrum 1 weight 0.10000E+01 volume 0.73220E-03 ppm1 7.329 ppm2 0.964 CV 1 OR { 138} (( segid " " and resid 79 and name HD21)) ( segid " " and resid 82 and name HD1%) ASSI { 143} (( segid " " and resid 23 and name HN )) ( segid " " and resid 21 and name HG2%) 3.500 1.500 1.500 peak 143 spectrum 1 weight 0.10000E+01 volume 0.44684E-03 ppm1 8.491 ppm2 1.247 CV 1 OR { 143} (( segid " " and resid 23 and name HN )) (( segid " " and resid 26 and name HB2 )) ASSI { 144} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HB2 )) 3.800 1.800 1.800 peak 144 spectrum 1 weight 0.10000E+01 volume 0.55590E-03 ppm1 7.961 ppm2 2.782 CV 1 OR { 144} (( segid " " and resid 57 and name HN )) (( segid " " and resid 53 and name HG1 )) ASSI { 146} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HA )) 3.600 1.600 1.600 peak 146 spectrum 1 weight 0.10000E+01 volume 0.83021E-03 ppm1 7.964 ppm2 4.674 CV 1 OR { 146} (( segid " " and resid 57 and name HN )) (( segid " " and resid 58 and name HA )) ASSI { 148} (( segid " " and resid 57 and name HN )) (( segid " " and resid 57 and name HA1 )) 2.300 0.700 0.700 peak 148 spectrum 1 weight 0.10000E+01 volume 0.84147E-02 ppm1 7.963 ppm2 4.089 CV 1 OR { 148} (( segid " " and resid 57 and name HN )) (( segid " " and resid 57 and name HA2 )) OR { 148} (( segid " " and resid 57 and name HN )) (( segid " " and resid 53 and name HA )) ASSI { 158} (( segid " " and resid 80 and name HN )) (( segid " " and resid 76 and name HA )) 3.600 1.600 1.600 peak 158 spectrum 1 weight 0.10000E+01 volume 0.10497E-02 ppm1 8.417 ppm2 4.477 CV 1 OR { 158} (( segid " " and resid 80 and name HN )) (( segid " " and resid 81 and name HA )) ASSI { 165} (( segid " " and resid 80 and name HN )) ( segid " " and resid 81 and name HB% ) 4.100 2.200 1.900 peak 165 spectrum 1 weight 0.10000E+01 volume 0.10567E-02 ppm1 8.417 ppm2 1.615 CV 1 OR { 165} (( segid " " and resid 80 and name HN )) ( segid " " and resid 83 and name HB% ) ASSI { 166} (( segid " " and resid 80 and name HN )) ( segid " " and resid 82 and name HD2%) 4.400 2.400 1.600 peak 166 spectrum 1 weight 0.10000E+01 volume 0.50932E-03 ppm1 8.417 ppm2 0.968 CV 1 OR { 166} (( segid " " and resid 80 and name HN )) ( segid " " and resid 4 and name HD2%) OR { 166} (( segid " " and resid 80 and name HN )) ( segid " " and resid 82 and name HD1%) ASSI { 179} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HB1 )) 3.400 1.500 1.500 peak 179 spectrum 1 weight 0.10000E+01 volume 0.16250E-02 ppm1 8.047 ppm2 1.628 CV 1 OR { 179} (( segid " " and resid 32 and name HN )) (( segid " " and resid 72 and name HB2 )) ASSI { 180} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HB2 )) 3.300 1.300 1.300 peak 180 spectrum 1 weight 0.10000E+01 volume 0.10256E-02 ppm1 8.048 ppm2 1.042 CV 1 OR { 180} (( segid " " and resid 32 and name HN )) ( segid " " and resid 33 and name HD2%) ASSI { 185} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HA )) 3.600 1.600 1.600 peak 185 spectrum 1 weight 0.10000E+01 volume 0.78033E-03 ppm1 8.047 ppm2 3.303 CV 1 OR { 185} (( segid " " and resid 32 and name HN )) (( segid " " and resid 30 and name HB1 )) ASSI { 187} (( segid " " and resid 58 and name HN )) (( segid " " and resid 53 and name HA )) 2.100 0.600 0.600 peak 187 spectrum 1 weight 0.10000E+01 volume 0.56014E-02 ppm1 7.529 ppm2 4.089 CV 1 OR { 187} (( segid " " and resid 58 and name HN )) (( segid " " and resid 57 and name HA1 )) OR { 187} (( segid " " and resid 58 and name HN )) (( segid " " and resid 57 and name HA2 )) ASSI { 189} (( segid " " and resid 58 and name HN )) (( segid " " and resid 56 and name HB2 )) 4.100 2.100 1.900 peak 189 spectrum 1 weight 0.10000E+01 volume 0.64596E-03 ppm1 7.530 ppm2 2.778 CV 1 OR { 189} (( segid " " and resid 58 and name HN )) (( segid " " and resid 53 and name HG1 )) ASSI { 197} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HB1 )) 3.100 1.200 1.200 peak 197 spectrum 1 weight 0.10000E+01 volume 0.12787E-02 ppm1 7.713 ppm2 3.091 CV 1 OR { 197} (( segid " " and resid 38 and name HN )) (( segid " " and resid 35 and name HB2 )) ASSI { 198} (( segid " " and resid 38 and name HN )) (( segid " " and resid 40 and name HB1 )) 4.200 2.300 1.800 peak 198 spectrum 1 weight 0.10000E+01 volume 0.98327E-03 ppm1 7.712 ppm2 2.995 CV 1 OR { 198} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HB2 )) ASSI { 211} (( segid " " and resid 54 and name HN )) (( segid " " and resid 51 and name HA )) 3.200 1.300 1.300 peak 211 spectrum 1 weight 0.10000E+01 volume 0.16782E-02 ppm1 8.035 ppm2 4.250 CV 1 OR { 211} (( segid " " and resid 54 and name HN )) (( segid " " and resid 50 and name HA )) ASSI { 212} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HB1 )) 2.300 0.700 0.700 peak 212 spectrum 1 weight 0.10000E+01 volume 0.84715E-02 ppm1 8.035 ppm2 4.104 CV 1 OR { 212} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HB2 )) OR { 212} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HA )) ASSI { 215} (( segid " " and resid 38 and name HN )) (( segid " " and resid 35 and name HA )) 3.400 1.500 1.500 peak 215 spectrum 1 weight 0.10000E+01 volume 0.16493E-02 ppm1 7.713 ppm2 4.364 CV 1 OR { 215} (( segid " " and resid 38 and name HN )) (( segid " " and resid 36 and name HA )) ASSI { 217} (( segid " " and resid 38 and name HN )) (( segid " " and resid 39 and name HA2 )) 5.000 3.100 1.000 peak 217 spectrum 1 weight 0.10000E+01 volume 0.50003E-03 ppm1 7.713 ppm2 3.880 CV 1 OR { 217} (( segid " " and resid 38 and name HN )) (( segid " " and resid 45 and name HA )) ASSI { 221} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HA )) 3.400 1.500 1.500 peak 221 spectrum 1 weight 0.10000E+01 volume 0.22323E-02 ppm1 8.122 ppm2 4.090 CV 1 OR { 221} (( segid " " and resid 56 and name HN )) (( segid " " and resid 53 and name HA )) OR { 221} (( segid " " and resid 56 and name HN )) (( segid " " and resid 57 and name HA1 )) OR { 221} (( segid " " and resid 56 and name HN )) (( segid " " and resid 57 and name HA2 )) ASSI { 235} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HN )) 2.800 1.000 1.000 peak 235 spectrum 1 weight 0.10000E+01 volume 0.22452E-02 ppm1 7.815 ppm2 8.219 CV 1 OR { 235} (( segid " " and resid 17 and name HN )) (( segid " " and resid 19 and name HN )) ASSI { 237} (( segid " " and resid 17 and name HN )) (( segid " " and resid 14 and name HA )) 3.400 1.400 1.400 peak 237 spectrum 1 weight 0.10000E+01 volume 0.12528E-02 ppm1 7.816 ppm2 4.389 CV 1 OR { 237} (( segid " " and resid 17 and name HN )) (( segid " " and resid 13 and name HA )) OR { 237} (( segid " " and resid 17 and name HN )) (( segid " " and resid 18 and name HA )) ASSI { 241} (( segid " " and resid 17 and name HN )) (( segid " " and resid 15 and name HA )) 4.300 2.300 1.700 peak 241 spectrum 1 weight 0.10000E+01 volume 0.38733E-03 ppm1 7.815 ppm2 3.947 CV 1 OR { 241} (( segid " " and resid 17 and name HN )) (( segid " " and resid 48 and name HA )) ASSI { 244} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HB1 )) 4.000 2.000 2.000 peak 244 spectrum 1 weight 0.10000E+01 volume 0.10908E-02 ppm1 7.815 ppm2 2.255 CV 1 OR { 244} (( segid " " and resid 17 and name HN )) (( segid " " and resid 15 and name HB )) ASSI { 246} (( segid " " and resid 17 and name HN )) ( segid " " and resid 15 and name HG2%) 4.900 3.000 1.100 peak 246 spectrum 1 weight 0.10000E+01 volume 0.36746E-03 ppm1 7.816 ppm2 1.123 CV 1 OR { 246} (( segid " " and resid 17 and name HN )) ( segid " " and resid 48 and name HG2%) ASSI { 247} (( segid " " and resid 17 and name HN )) ( segid " " and resid 15 and name HG1%) 3.800 1.800 1.800 peak 247 spectrum 1 weight 0.10000E+01 volume 0.28509E-03 ppm1 7.819 ppm2 1.037 CV 1 OR { 247} (( segid " " and resid 17 and name HN )) ( segid " " and resid 10 and name HD1%) OR { 247} (( segid " " and resid 17 and name HN )) ( segid " " and resid 52 and name HD2%) ASSI { 248} (( segid " " and resid 21 and name HN )) (( segid " " and resid 22 and name HN )) 2.700 0.900 0.900 peak 248 spectrum 1 weight 0.10000E+01 volume 0.51015E-02 ppm1 8.243 ppm2 8.487 CV 1 OR { 248} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HN )) ASSI { 251} (( segid " " and resid 21 and name HN )) (( segid " " and resid 19 and name HA2 )) 3.500 3.500 2.500 peak 251 spectrum 1 weight 0.10000E+01 volume 0.52678E-03 ppm1 8.243 ppm2 4.056 CV 1 OR { 251} (( segid " " and resid 21 and name HN )) (( segid " " and resid 19 and name HA1 )) OR { 251} (( segid " " and resid 21 and name HN )) (( segid " " and resid 23 and name HA2 )) OR { 251} (( segid " " and resid 21 and name HN )) (( segid " " and resid 23 and name HA1 )) ASSI { 256} (( segid " " and resid 42 and name HN )) (( segid " " and resid 45 and name HB2 )) 4.400 2.400 1.600 peak 256 spectrum 1 weight 0.10000E+01 volume 0.33327E-03 ppm1 8.923 ppm2 1.508 CV 1 OR { 256} (( segid " " and resid 42 and name HN )) ( segid " " and resid 44 and name HB% ) ASSI { 264} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HA )) 2.600 0.900 0.900 peak 264 spectrum 1 weight 0.10000E+01 volume 0.36988E-02 ppm1 8.924 ppm2 4.261 CV 1 OR { 264} (( segid " " and resid 42 and name HN )) (( segid " " and resid 43 and name HA )) ASSI { 315} (( segid " " and resid 68 and name HN )) ( segid " " and resid 64 and name HG1%) 4.500 2.500 1.500 peak 315 spectrum 1 weight 0.10000E+01 volume 0.44853E-03 ppm1 7.326 ppm2 0.966 CV 1 OR { 315} (( segid " " and resid 68 and name HN )) ( segid " " and resid 77 and name HD2%) OR { 315} (( segid " " and resid 68 and name HN )) ( segid " " and resid 77 and name HD1%) ASSI { 318} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HG1 )) 4.600 2.700 1.400 peak 318 spectrum 1 weight 0.10000E+01 volume 0.62086E-03 ppm1 7.976 ppm2 1.402 CV 1 OR { 318} (( segid " " and resid 12 and name HN )) ( segid " " and resid 7 and name HG2%) ASSI { 319} (( segid " " and resid 12 and name HN )) ( segid " " and resid 15 and name HG2%) 4.100 2.100 1.900 peak 319 spectrum 1 weight 0.10000E+01 volume 0.58797E-03 ppm1 7.975 ppm2 1.130 CV 1 OR { 319} (( segid " " and resid 12 and name HN )) ( segid " " and resid 48 and name HG2%) ASSI { 321} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HG2 )) 3.500 1.600 1.600 peak 321 spectrum 1 weight 0.10000E+01 volume 0.15636E-02 ppm1 7.973 ppm2 1.682 CV 1 OR { 321} (( segid " " and resid 12 and name HN )) ( segid " " and resid 13 and name HB% ) ASSI { 322} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HB2 )) 2.100 0.500 0.500 peak 322 spectrum 1 weight 0.10000E+01 volume 0.10916E-01 ppm1 7.973 ppm2 2.029 CV 1 OR { 322} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HB1 )) OR { 322} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HB2 )) OR { 322} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HB1 )) ASSI { 331} (( segid " " and resid 12 and name HN )) (( segid " " and resid 10 and name HA )) 4.300 2.300 1.700 peak 331 spectrum 1 weight 0.10000E+01 volume 0.29717E-03 ppm1 7.975 ppm2 4.214 CV 1 OR { 331} (( segid " " and resid 12 and name HN )) (( segid " " and resid 16 and name HA )) ASSI { 334} (( segid " " and resid 12 and name HN )) (( segid " " and resid 8 and name HN )) 3.200 3.200 2.800 peak 334 spectrum 1 weight 0.10000E+01 volume 0.88330E-03 ppm1 7.973 ppm2 8.249 CV 1 OR { 334} (( segid " " and resid 12 and name HN )) (( segid " " and resid 27 and name HN )) OR { 334} (( segid " " and resid 12 and name HN )) (( segid " " and resid 19 and name HN )) ASSI { 341} (( segid " " and resid 7 and name HN )) ( segid " " and resid 6 and name HG2%) 3.600 1.600 1.600 peak 341 spectrum 1 weight 0.10000E+01 volume 0.37161E-02 ppm1 8.836 ppm2 1.395 CV 1 OR { 341} (( segid " " and resid 7 and name HN )) ( segid " " and resid 7 and name HG2%) ASSI { 343} (( segid " " and resid 7 and name HN )) ( segid " " and resid 75 and name HD1%) 3.900 1.900 1.900 peak 343 spectrum 1 weight 0.10000E+01 volume 0.71046E-03 ppm1 8.836 ppm2 0.787 CV 1 OR { 343} (( segid " " and resid 7 and name HN )) ( segid " " and resid 31 and name HD2%) ASSI { 364} (( segid " " and resid 34 and name HN )) ( segid " " and resid 38 and name HG2%) 3.800 1.800 1.800 peak 364 spectrum 1 weight 0.10000E+01 volume 0.11383E-02 ppm1 8.457 ppm2 1.058 CV 1 OR { 364} (( segid " " and resid 34 and name HN )) ( segid " " and resid 33 and name HD2%) ASSI { 385} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HB1 )) 2.900 1.100 1.100 peak 385 spectrum 1 weight 0.10000E+01 volume 0.32718E-02 ppm1 8.618 ppm2 2.826 CV 1 OR { 385} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HB1 )) ASSI { 386} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HB2 )) 2.600 0.900 0.900 peak 386 spectrum 1 weight 0.10000E+01 volume 0.41736E-02 ppm1 8.618 ppm2 2.740 CV 1 OR { 386} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HB2 )) ASSI { 392} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HA )) 2.700 0.900 0.900 peak 392 spectrum 1 weight 0.10000E+01 volume 0.43456E-02 ppm1 8.619 ppm2 4.519 CV 1 OR { 392} (( segid " " and resid 63 and name HN )) (( segid " " and resid 61 and name HA )) ASSI { 408} (( segid " " and resid 67 and name HN )) ( segid " " and resid 64 and name HG1%) 4.500 2.500 1.500 peak 408 spectrum 1 weight 0.10000E+01 volume 0.40996E-03 ppm1 7.496 ppm2 0.966 CV 1 OR { 408} (( segid " " and resid 67 and name HN )) ( segid " " and resid 77 and name HD1%) ASSI { 424} (( segid " " and resid 84 and name HN )) (( segid " " and resid 81 and name HA )) 3.500 1.500 1.500 peak 424 spectrum 1 weight 0.10000E+01 volume 0.98012E-03 ppm1 7.747 ppm2 4.459 CV 1 OR { 424} (( segid " " and resid 84 and name HN )) (( segid " " and resid 85 and name HA )) ASSI { 430} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HA )) 2.500 0.800 0.800 peak 430 spectrum 1 weight 0.10000E+01 volume 0.46106E-02 ppm1 9.556 ppm2 4.362 CV 1 OR { 430} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HA )) ASSI { 432} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HB2 )) 2.600 0.800 0.800 peak 432 spectrum 1 weight 0.10000E+01 volume 0.22998E-02 ppm1 9.556 ppm2 3.088 CV 1 OR { 432} (( segid " " and resid 36 and name HN )) (( segid " " and resid 37 and name HB1 )) ASSI { 433} (( segid " " and resid 36 and name HN )) (( segid " " and resid 40 and name HB1 )) 4.800 2.900 1.200 peak 433 spectrum 1 weight 0.10000E+01 volume 0.45807E-03 ppm1 9.556 ppm2 2.999 CV 1 OR { 433} (( segid " " and resid 36 and name HN )) (( segid " " and resid 37 and name HB2 )) OR { 433} (( segid " " and resid 36 and name HN )) (( segid " " and resid 69 and name HB1 )) ASSI { 440} (( segid " " and resid 36 and name HN )) (( segid " " and resid 38 and name HN )) 4.100 2.100 1.900 peak 440 spectrum 1 weight 0.10000E+01 volume 0.58332E-03 ppm1 9.556 ppm2 7.719 CV 1 OR { 440} (( segid " " and resid 36 and name HN )) (( segid " " and resid 39 and name HN )) ASSI { 444} (( segid " " and resid 36 and name HN )) (( segid " " and resid 34 and name HG2 )) 4.800 2.900 1.200 peak 444 spectrum 1 weight 0.10000E+01 volume 0.46310E-03 ppm1 9.555 ppm2 1.628 CV 1 OR { 444} (( segid " " and resid 36 and name HN )) (( segid " " and resid 45 and name HB1 )) ASSI { 449} (( segid " " and resid 79 and name HN )) ( segid " " and resid 82 and name HD2%) 4.100 2.100 1.900 peak 449 spectrum 1 weight 0.10000E+01 volume 0.88645E-03 ppm1 8.876 ppm2 0.966 CV 1 OR { 449} (( segid " " and resid 79 and name HN )) ( segid " " and resid 4 and name HD2%) OR { 449} (( segid " " and resid 79 and name HN )) ( segid " " and resid 82 and name HD1%) ASSI { 451} (( segid " " and resid 79 and name HN )) ( segid " " and resid 75 and name HD1%) 3.400 1.400 1.400 peak 451 spectrum 1 weight 0.10000E+01 volume 0.10331E-02 ppm1 8.877 ppm2 0.786 CV 1 OR { 451} (( segid " " and resid 79 and name HN )) ( segid " " and resid 78 and name HD1%) ASSI { 460} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HB2 )) 2.600 0.900 0.900 peak 460 spectrum 1 weight 0.10000E+01 volume 0.28752E-02 ppm1 8.998 ppm2 1.614 CV 1 OR { 460} (( segid " " and resid 72 and name HN )) (( segid " " and resid 31 and name HB1 )) ASSI { 461} (( segid " " and resid 72 and name HN )) (( segid " " and resid 31 and name HB2 )) 4.300 2.300 1.700 peak 461 spectrum 1 weight 0.10000E+01 volume 0.11024E-02 ppm1 8.997 ppm2 1.043 CV 1 OR { 461} (( segid " " and resid 72 and name HN )) ( segid " " and resid 74 and name HD1%) ASSI { 464} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HG )) 3.600 1.600 1.600 peak 464 spectrum 1 weight 0.10000E+01 volume 0.97971E-03 ppm1 8.693 ppm2 1.683 CV 1 OR { 464} (( segid " " and resid 76 and name HN )) (( segid " " and resid 74 and name HB2 )) ASSI { 472} (( segid " " and resid 76 and name HN )) ( segid " " and resid 75 and name HD2%) 4.300 2.300 1.700 peak 472 spectrum 1 weight 0.10000E+01 volume 0.93396E-03 ppm1 8.692 ppm2 0.872 CV 1 OR { 472} (( segid " " and resid 76 and name HN )) ( segid " " and resid 78 and name HG2%) ASSI { 473} (( segid " " and resid 76 and name HN )) ( segid " " and resid 75 and name HD1%) 4.300 2.400 1.700 peak 473 spectrum 1 weight 0.10000E+01 volume 0.67674E-03 ppm1 8.693 ppm2 0.788 CV 1 OR { 473} (( segid " " and resid 76 and name HN )) ( segid " " and resid 78 and name HD1%) ASSI { 484} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HA )) 3.500 1.600 1.600 peak 484 spectrum 1 weight 0.10000E+01 volume 0.67235E-03 ppm1 8.999 ppm2 4.229 CV 1 OR { 484} (( segid " " and resid 72 and name HN )) (( segid " " and resid 73 and name HA )) ASSI { 497} (( segid " " and resid 37 and name HN )) (( segid " " and resid 34 and name HB2 )) 2.900 1.000 1.000 peak 497 spectrum 1 weight 0.10000E+01 volume 0.17076E-02 ppm1 7.556 ppm2 1.847 CV 1 OR { 497} (( segid " " and resid 37 and name HN )) (( segid " " and resid 38 and name HG11)) ASSI { 498} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HA )) 3.200 1.300 1.300 peak 498 spectrum 1 weight 0.10000E+01 volume 0.16183E-02 ppm1 7.555 ppm2 4.363 CV 1 OR { 498} (( segid " " and resid 37 and name HN )) (( segid " " and resid 35 and name HA )) ASSI { 500} (( segid " " and resid 37 and name HN )) (( segid " " and resid 38 and name HN )) 2.300 0.700 0.700 peak 500 spectrum 1 weight 0.10000E+01 volume 0.50438E-02 ppm1 7.555 ppm2 7.715 CV 1 OR { 500} (( segid " " and resid 37 and name HN )) (( segid " " and resid 39 and name HN )) ASSI { 501} (( segid " " and resid 37 and name HN )) (( segid " " and resid 35 and name HN )) 4.100 2.100 1.900 peak 501 spectrum 1 weight 0.10000E+01 volume 0.52383E-03 ppm1 7.554 ppm2 8.458 CV 1 OR { 501} (( segid " " and resid 37 and name HN )) (( segid " " and resid 34 and name HN )) ASSI { 507} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HB1 )) 2.800 1.000 1.000 peak 507 spectrum 1 weight 0.10000E+01 volume 0.20907E-02 ppm1 8.322 ppm2 2.338 CV 1 OR { 507} (( segid " " and resid 48 and name HN )) (( segid " " and resid 46 and name HB2 )) OR { 507} (( segid " " and resid 48 and name HN )) (( segid " " and resid 46 and name HB1 )) ASSI { 517} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HB1 )) 3.100 1.200 1.200 peak 517 spectrum 1 weight 0.10000E+01 volume 0.46618E-02 ppm1 7.507 ppm2 1.628 CV 1 OR { 517} (( segid " " and resid 31 and name HN )) (( segid " " and resid 72 and name HB2 )) ASSI { 524} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HA )) 2.800 0.900 0.900 peak 524 spectrum 1 weight 0.10000E+01 volume 0.23330E-02 ppm1 7.508 ppm2 3.303 CV 1 OR { 524} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HB1 )) ASSI { 526} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HA )) 3.200 1.300 1.300 peak 526 spectrum 1 weight 0.10000E+01 volume 0.22003E-02 ppm1 7.403 ppm2 4.521 CV 1 OR { 526} (( segid " " and resid 64 and name HN )) (( segid " " and resid 61 and name HA )) ASSI { 528} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HN )) 2.100 0.500 0.500 peak 528 spectrum 1 weight 0.10000E+01 volume 0.72053E-02 ppm1 7.508 ppm2 8.041 CV 1 OR { 528} (( segid " " and resid 31 and name HN )) (( segid " " and resid 32 and name HN )) ASSI { 533} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HB2 )) 4.500 2.600 1.500 peak 533 spectrum 1 weight 0.10000E+01 volume 0.41698E-03 ppm1 7.506 ppm2 3.018 CV 1 OR { 533} (( segid " " and resid 31 and name HN )) (( segid " " and resid 32 and name HB1 )) ASSI { 537} (( segid " " and resid 14 and name HN )) (( segid " " and resid 14 and name HA )) 2.700 0.900 0.900 peak 537 spectrum 1 weight 0.10000E+01 volume 0.32889E-02 ppm1 8.397 ppm2 4.395 CV 1 OR { 537} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HA )) ASSI { 541} (( segid " " and resid 14 and name HN )) (( segid " " and resid 14 and name HG )) 2.800 0.900 0.900 peak 541 spectrum 1 weight 0.10000E+01 volume 0.40050E-02 ppm1 8.396 ppm2 1.882 CV 1 OR { 541} (( segid " " and resid 14 and name HN )) (( segid " " and resid 10 and name HG )) ASSI { 544} (( segid " " and resid 14 and name HN )) ( segid " " and resid 48 and name HG2%) 3.600 1.600 1.600 peak 544 spectrum 1 weight 0.10000E+01 volume 0.15650E-02 ppm1 8.397 ppm2 1.122 CV 1 OR { 544} (( segid " " and resid 14 and name HN )) ( segid " " and resid 15 and name HG2%) ASSI { 545} (( segid " " and resid 14 and name HN )) ( segid " " and resid 10 and name HD1%) 3.900 1.900 1.900 peak 545 spectrum 1 weight 0.10000E+01 volume 0.11298E-02 ppm1 8.397 ppm2 1.035 CV 1 OR { 545} (( segid " " and resid 14 and name HN )) ( segid " " and resid 52 and name HD2%) OR { 545} (( segid " " and resid 14 and name HN )) ( segid " " and resid 15 and name HG1%) ASSI { 552} (( segid " " and resid 53 and name HN )) (( segid " " and resid 50 and name HA )) 3.100 1.200 1.200 peak 552 spectrum 1 weight 0.10000E+01 volume 0.19242E-02 ppm1 8.961 ppm2 4.259 CV 1 OR { 552} (( segid " " and resid 53 and name HN )) (( segid " " and resid 51 and name HA )) ASSI { 553} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HA )) 2.600 0.800 0.800 peak 553 spectrum 1 weight 0.10000E+01 volume 0.35345E-02 ppm1 8.962 ppm2 4.091 CV 1 OR { 553} (( segid " " and resid 53 and name HN )) (( segid " " and resid 54 and name HB1 )) OR { 553} (( segid " " and resid 53 and name HN )) (( segid " " and resid 54 and name HB2 )) ASSI { 557} (( segid " " and resid 53 and name HN )) (( segid " " and resid 51 and name HN )) 3.700 1.700 1.700 peak 557 spectrum 1 weight 0.10000E+01 volume 0.89461E-03 ppm1 8.961 ppm2 8.120 CV 1 OR { 557} (( segid " " and resid 53 and name HN )) (( segid " " and resid 56 and name HN )) ASSI { 560} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HB1 )) 2.000 0.500 0.500 peak 560 spectrum 1 weight 0.10000E+01 volume 0.11885E-01 ppm1 8.226 ppm2 1.643 CV 1 OR { 560} (( segid " " and resid 50 and name HN )) ( segid " " and resid 50 and name HB% ) ASSI { 561} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HA )) 2.800 1.000 1.000 peak 561 spectrum 1 weight 0.10000E+01 volume 0.32087E-02 ppm1 8.114 ppm2 4.240 CV 1 OR { 561} (( segid " " and resid 51 and name HN )) (( segid " " and resid 50 and name HA )) ASSI { 562} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HA )) 2.700 0.900 0.900 peak 562 spectrum 1 weight 0.10000E+01 volume 0.34309E-02 ppm1 7.706 ppm2 4.399 CV 1 OR { 562} (( segid " " and resid 13 and name HN )) (( segid " " and resid 14 and name HA )) ASSI { 565} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HG1 )) 3.800 1.800 1.800 peak 565 spectrum 1 weight 0.10000E+01 volume 0.90814E-03 ppm1 7.706 ppm2 1.913 CV 1 OR { 565} (( segid " " and resid 13 and name HN )) (( segid " " and resid 10 and name HG )) ASSI { 567} (( segid " " and resid 51 and name HN )) (( segid " " and resid 48 and name HA )) 3.300 1.400 1.400 peak 567 spectrum 1 weight 0.10000E+01 volume 0.11501E-02 ppm1 8.116 ppm2 3.954 CV 1 OR { 567} (( segid " " and resid 51 and name HN )) (( segid " " and resid 49 and name HA )) ASSI { 569} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HB2 )) 2.600 0.900 0.900 peak 569 spectrum 1 weight 0.10000E+01 volume 0.35525E-02 ppm1 8.114 ppm2 2.024 CV 1 OR { 569} (( segid " " and resid 51 and name HN )) (( segid " " and resid 52 and name HG )) ASSI { 577} (( segid " " and resid 11 and name HN )) ( segid " " and resid 7 and name HG2%) 3.800 1.800 1.800 peak 577 spectrum 1 weight 0.10000E+01 volume 0.12608E-02 ppm1 8.835 ppm2 1.392 CV 1 OR { 577} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HG1 )) ASSI { 578} (( segid " " and resid 11 and name HN )) ( segid " " and resid 10 and name HD2%) 3.900 1.900 1.900 peak 578 spectrum 1 weight 0.10000E+01 volume 0.14408E-02 ppm1 8.835 ppm2 1.139 CV 1 OR { 578} (( segid " " and resid 11 and name HN )) ( segid " " and resid 15 and name HG2%) OR { 578} (( segid " " and resid 11 and name HN )) ( segid " " and resid 48 and name HG2%) ASSI { 579} (( segid " " and resid 11 and name HN )) ( segid " " and resid 10 and name HD1%) 4.400 2.400 1.600 peak 579 spectrum 1 weight 0.10000E+01 volume 0.71759E-03 ppm1 8.834 ppm2 1.041 CV 1 OR { 579} (( segid " " and resid 11 and name HN )) ( segid " " and resid 52 and name HD2%) ASSI { 586} (( segid " " and resid 11 and name HN )) (( segid " " and resid 9 and name HB2 )) 4.600 2.700 1.400 peak 586 spectrum 1 weight 0.10000E+01 volume 0.41566E-03 ppm1 8.836 ppm2 2.704 CV 1 OR { 586} (( segid " " and resid 11 and name HN )) (( segid " " and resid 8 and name HB2 )) OR { 586} (( segid " " and resid 11 and name HN )) (( segid " " and resid 8 and name HB1 )) ASSI { 587} (( segid " " and resid 11 and name HN )) ( segid " " and resid 14 and name HD2%) 4.500 2.600 1.500 peak 587 spectrum 1 weight 0.10000E+01 volume 0.43080E-03 ppm1 8.833 ppm2 0.883 CV 1 OR { 587} (( segid " " and resid 11 and name HN )) ( segid " " and resid 75 and name HD2%) OR { 587} (( segid " " and resid 11 and name HN )) ( segid " " and resid 52 and name HD1%) ASSI { 588} (( segid " " and resid 11 and name HN )) ( segid " " and resid 75 and name HD1%) 4.000 2.000 2.000 peak 588 spectrum 1 weight 0.10000E+01 volume 0.43337E-03 ppm1 8.835 ppm2 0.789 CV 1 OR { 588} (( segid " " and resid 11 and name HN )) ( segid " " and resid 26 and name HD2%) OR { 588} (( segid " " and resid 11 and name HN )) ( segid " " and resid 31 and name HD2%) ASSI { 589} (( segid " " and resid 74 and name HN )) (( segid " " and resid 71 and name HA )) 2.800 1.000 1.000 peak 589 spectrum 1 weight 0.10000E+01 volume 0.27574E-02 ppm1 7.711 ppm2 4.227 CV 1 OR { 589} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HA )) ASSI { 595} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HB )) 2.100 0.600 0.600 peak 595 spectrum 1 weight 0.10000E+01 volume 0.74005E-02 ppm1 8.217 ppm2 2.260 CV 1 OR { 595} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HB1 )) ASSI { 598} (( segid " " and resid 82 and name HN )) (( segid " " and resid 82 and name HB1 )) 3.000 1.100 1.100 peak 598 spectrum 1 weight 0.10000E+01 volume 0.57888E-02 ppm1 8.273 ppm2 2.019 CV 1 OR { 598} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HB1 )) ASSI { 599} (( segid " " and resid 78 and name HN )) (( segid " " and resid 78 and name HB )) 2.100 0.500 0.500 peak 599 spectrum 1 weight 0.10000E+01 volume 0.90829E-02 ppm1 8.272 ppm2 1.927 CV 1 OR { 599} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HB2 )) ASSI { 600} (( segid " " and resid 82 and name HN )) ( segid " " and resid 81 and name HB% ) 2.800 1.000 1.000 peak 600 spectrum 1 weight 0.10000E+01 volume 0.36041E-02 ppm1 8.273 ppm2 1.622 CV 1 OR { 600} (( segid " " and resid 82 and name HN )) ( segid " " and resid 83 and name HB% ) ASSI { 611} (( segid " " and resid 16 and name HN )) (( segid " " and resid 13 and name HA )) 3.100 1.200 1.200 peak 611 spectrum 1 weight 0.10000E+01 volume 0.16618E-02 ppm1 8.218 ppm2 4.395 CV 1 OR { 611} (( segid " " and resid 16 and name HN )) (( segid " " and resid 14 and name HA )) ASSI { 613} (( segid " " and resid 82 and name HN )) (( segid " " and resid 81 and name HA )) 3.200 1.300 1.300 peak 613 spectrum 1 weight 0.10000E+01 volume 0.15672E-02 ppm1 8.274 ppm2 4.462 CV 1 OR { 613} (( segid " " and resid 78 and name HN )) (( segid " " and resid 76 and name HA )) ASSI { 617} (( segid " " and resid 82 and name HN )) (( segid " " and resid 79 and name HA )) 3.200 1.300 1.300 peak 617 spectrum 1 weight 0.10000E+01 volume 0.13502E-02 ppm1 8.275 ppm2 4.904 CV 1 OR { 617} (( segid " " and resid 78 and name HN )) (( segid " " and resid 79 and name HA )) ASSI { 620} (( segid " " and resid 16 and name HN )) (( segid " " and resid 17 and name HN )) 2.700 0.900 0.900 peak 620 spectrum 1 weight 0.10000E+01 volume 0.23371E-02 ppm1 8.217 ppm2 7.817 CV 1 OR { 620} (( segid " " and resid 16 and name HN )) (( segid " " and resid 18 and name HN )) ASSI { 625} (( segid " " and resid 9 and name HN )) (( segid " " and resid 9 and name HA )) 2.900 1.000 1.000 peak 625 spectrum 1 weight 0.10000E+01 volume 0.26991E-02 ppm1 7.886 ppm2 4.547 CV 1 OR { 625} (( segid " " and resid 9 and name HN )) (( segid " " and resid 5 and name HA )) ASSI { 627} (( segid " " and resid 9 and name HN )) (( segid " " and resid 9 and name HB2 )) 2.400 0.700 0.700 peak 627 spectrum 1 weight 0.10000E+01 volume 0.52936E-02 ppm1 7.887 ppm2 2.704 CV 1 OR { 627} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HB1 )) OR { 627} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HB2 )) ASSI { 632} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HB1 )) 2.500 0.800 0.800 peak 632 spectrum 1 weight 0.10000E+01 volume 0.48695E-02 ppm1 8.414 ppm2 2.205 CV 1 OR { 632} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HB1 )) ASSI { 634} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HG )) 2.200 0.600 0.600 peak 634 spectrum 1 weight 0.10000E+01 volume 0.53948E-02 ppm1 8.414 ppm2 2.038 CV 1 OR { 634} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HB2 )) ASSI { 641} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HA )) 3.400 1.400 1.400 peak 641 spectrum 1 weight 0.10000E+01 volume 0.97516E-03 ppm1 8.451 ppm2 4.400 CV 1 OR { 641} (( segid " " and resid 15 and name HN )) (( segid " " and resid 13 and name HA )) ASSI { 643} (( segid " " and resid 15 and name HN )) (( segid " " and resid 16 and name HN )) 2.900 1.100 1.100 peak 643 spectrum 1 weight 0.10000E+01 volume 0.28779E-02 ppm1 8.455 ppm2 8.217 CV 1 OR { 643} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HN )) ASSI { 651} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HN )) 2.300 0.700 0.700 peak 651 spectrum 1 weight 0.10000E+01 volume 0.48856E-02 ppm1 8.496 ppm2 8.232 CV 1 OR { 651} (( segid " " and resid 47 and name HN )) (( segid " " and resid 50 and name HN )) ASSI { 657} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HB2 )) 2.600 0.800 0.800 peak 657 spectrum 1 weight 0.10000E+01 volume 0.44072E-02 ppm1 8.504 ppm2 2.334 CV 1 OR { 657} (( segid " " and resid 47 and name HN )) (( segid " " and resid 47 and name HB1 )) OR { 657} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HB1 )) ASSI { 660} (( segid " " and resid 47 and name HN )) ( segid " " and resid 44 and name HB% ) 3.500 1.500 1.500 peak 660 spectrum 1 weight 0.10000E+01 volume 0.63858E-03 ppm1 8.497 ppm2 1.521 CV 1 OR { 660} (( segid " " and resid 47 and name HN )) (( segid " " and resid 45 and name HB2 )) OR { 660} (( segid " " and resid 47 and name HN )) ( segid " " and resid 49 and name HB% ) ASSI { 665} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HG2 )) 4.500 2.500 1.500 peak 665 spectrum 1 weight 0.10000E+01 volume 0.71129E-03 ppm1 8.093 ppm2 0.992 CV 1 OR { 665} (( segid " " and resid 55 and name HN )) ( segid " " and resid 58 and name HG2%) ASSI { 666} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HA )) 2.600 0.800 0.800 peak 666 spectrum 1 weight 0.10000E+01 volume 0.57614E-02 ppm1 8.090 ppm2 4.096 CV 1 OR { 666} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HB2 )) OR { 666} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HB1 )) OR { 666} (( segid " " and resid 55 and name HN )) (( segid " " and resid 53 and name HA )) ASSI { 673} (( segid " " and resid 9 and name HN )) (( segid " " and resid 11 and name HN )) 3.700 1.700 1.700 peak 673 spectrum 1 weight 0.10000E+01 volume 0.87214E-03 ppm1 7.887 ppm2 8.835 CV 1 OR { 673} (( segid " " and resid 9 and name HN )) (( segid " " and resid 7 and name HN )) ASSI { 675} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HB1 )) 2.500 0.800 0.800 peak 675 spectrum 1 weight 0.10000E+01 volume 0.45666E-02 ppm1 7.712 ppm2 2.424 CV 1 OR { 675} (( segid " " and resid 74 and name HN )) (( segid " " and resid 68 and name HB )) ASSI { 676} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HB2 )) 3.200 1.300 1.300 peak 676 spectrum 1 weight 0.10000E+01 volume 0.12771E-02 ppm1 7.713 ppm2 2.269 CV 1 OR { 676} (( segid " " and resid 74 and name HN )) (( segid " " and resid 71 and name HB1 )) ASSI { 677} (( segid " " and resid 9 and name HN )) ( segid " " and resid 6 and name HG2%) 3.700 1.700 1.700 peak 677 spectrum 1 weight 0.10000E+01 volume 0.69554E-03 ppm1 7.887 ppm2 1.402 CV 1 OR { 677} (( segid " " and resid 9 and name HN )) ( segid " " and resid 7 and name HG2%) OR { 677} (( segid " " and resid 9 and name HN )) (( segid " " and resid 11 and name HG1 )) ASSI { 678} (( segid " " and resid 74 and name HN )) ( segid " " and resid 68 and name HG1%) 3.200 1.300 1.300 peak 678 spectrum 1 weight 0.10000E+01 volume 0.21599E-02 ppm1 7.712 ppm2 1.131 CV 1 OR { 678} (( segid " " and resid 74 and name HN )) ( segid " " and resid 10 and name HD2%) ASSI { 680} (( segid " " and resid 74 and name HN )) ( segid " " and resid 77 and name HD2%) 4.200 2.200 1.800 peak 680 spectrum 1 weight 0.10000E+01 volume 0.11541E-02 ppm1 7.712 ppm2 0.969 CV 1 OR { 680} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HG )) OR { 680} (( segid " " and resid 74 and name HN )) ( segid " " and resid 77 and name HD1%) ASSI { 695} (( segid " " and resid 75 and name HN )) ( segid " " and resid 74 and name HD2%) 3.900 1.900 1.900 peak 695 spectrum 1 weight 0.10000E+01 volume 0.83832E-03 ppm1 8.729 ppm2 1.045 CV 1 OR { 695} (( segid " " and resid 75 and name HN )) ( segid " " and resid 10 and name HD1%) OR { 695} (( segid " " and resid 75 and name HN )) ( segid " " and resid 74 and name HD1%) ASSI { 696} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HG )) 4.600 2.600 1.400 peak 696 spectrum 1 weight 0.10000E+01 volume 0.64575E-03 ppm1 8.728 ppm2 0.965 CV 1 OR { 696} (( segid " " and resid 75 and name HN )) ( segid " " and resid 77 and name HD2%) OR { 696} (( segid " " and resid 75 and name HN )) ( segid " " and resid 77 and name HD1%) ASSI { 697} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HB2 )) 3.500 1.500 1.500 peak 697 spectrum 1 weight 0.10000E+01 volume 0.25934E-02 ppm1 8.728 ppm2 1.692 CV 1 OR { 697} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HG )) ASSI { 702} (( segid " " and resid 75 and name HN )) (( segid " " and resid 71 and name HA )) 3.900 1.900 1.900 peak 702 spectrum 1 weight 0.10000E+01 volume 0.57563E-03 ppm1 8.727 ppm2 4.228 CV 1 OR { 702} (( segid " " and resid 75 and name HN )) (( segid " " and resid 73 and name HA )) ASSI { 709} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HB2 )) 2.100 0.600 0.600 peak 709 spectrum 1 weight 0.10000E+01 volume 0.84617E-02 ppm1 8.460 ppm2 1.512 CV 1 OR { 709} (( segid " " and resid 45 and name HN )) ( segid " " and resid 44 and name HB% ) ASSI { 713} (( segid " " and resid 45 and name HN )) (( segid " " and resid 40 and name HB2 )) 5.600 3.900 0.400 peak 713 spectrum 1 weight 0.10000E+01 volume 0.30688E-03 ppm1 8.457 ppm2 2.777 CV 1 OR { 713} (( segid " " and resid 45 and name HN )) (( segid " " and resid 46 and name HG2 )) ASSI { 715} (( segid " " and resid 45 and name HN )) (( segid " " and resid 42 and name HA )) 3.100 1.200 1.200 peak 715 spectrum 1 weight 0.10000E+01 volume 0.23113E-02 ppm1 8.459 ppm2 4.269 CV 1 OR { 715} (( segid " " and resid 45 and name HN )) (( segid " " and resid 43 and name HA )) OR { 715} (( segid " " and resid 45 and name HN )) (( segid " " and resid 46 and name HA )) ASSI { 727} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HA2 )) 3.100 1.200 1.200 peak 727 spectrum 1 weight 0.10000E+01 volume 0.18275E-02 ppm1 8.065 ppm2 3.866 CV 1 OR { 727} (( segid " " and resid 10 and name HN )) (( segid " " and resid 7 and name HA )) ASSI { 728} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HB1 )) 3.100 1.200 1.200 peak 728 spectrum 1 weight 0.10000E+01 volume 0.39615E-02 ppm1 8.063 ppm2 3.026 CV 1 OR { 728} (( segid " " and resid 10 and name HN )) (( segid " " and resid 9 and name HB1 )) ASSI { 733} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HB2 )) 2.500 0.800 0.800 peak 733 spectrum 1 weight 0.10000E+01 volume 0.48305E-02 ppm1 8.066 ppm2 1.567 CV 1 OR { 733} (( segid " " and resid 10 and name HN )) (( segid " " and resid 5 and name HB1 )) ASSI { 738} (( segid " " and resid 83 and name HN )) ( segid " " and resid 82 and name HD1%) 2.700 2.700 3.300 peak 738 spectrum 1 weight 0.10000E+01 volume 0.12289E-02 ppm1 7.955 ppm2 0.978 CV 1 OR { 738} (( segid " " and resid 83 and name HN )) ( segid " " and resid 82 and name HD2%) OR { 738} (( segid " " and resid 83 and name HN )) ( segid " " and resid 4 and name HD2%) ASSI { 739} (( segid " " and resid 83 and name HN )) ( segid " " and resid 4 and name HD1%) 2.800 2.800 3.200 peak 739 spectrum 1 weight 0.10000E+01 volume 0.10271E-02 ppm1 7.955 ppm2 0.880 CV 1 OR { 739} (( segid " " and resid 83 and name HN )) ( segid " " and resid 78 and name HG2%) ASSI { 742} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HN )) 2.600 0.800 0.800 peak 742 spectrum 1 weight 0.10000E+01 volume 0.36332E-02 ppm1 8.060 ppm2 7.716 CV 1 OR { 742} (( segid " " and resid 40 and name HN )) (( segid " " and resid 38 and name HN )) ASSI { 744} (( segid " " and resid 40 and name HN )) (( segid " " and resid 36 and name HA )) 3.100 1.200 1.200 peak 744 spectrum 1 weight 0.10000E+01 volume 0.18621E-02 ppm1 8.061 ppm2 4.362 CV 1 OR { 744} (( segid " " and resid 40 and name HN )) (( segid " " and resid 35 and name HA )) ASSI { 756} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HB1 )) 3.100 1.200 1.200 peak 756 spectrum 1 weight 0.10000E+01 volume 0.19144E-02 ppm1 8.038 ppm2 3.292 CV 1 OR { 756} (( segid " " and resid 30 and name HN )) (( segid " " and resid 31 and name HA )) ASSI { 773} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HB1 )) 4.000 2.000 2.000 peak 773 spectrum 1 weight 0.10000E+01 volume 0.52042E-03 ppm1 7.210 ppm2 3.025 CV 1 OR { 773} (( segid " " and resid 33 and name HN )) (( segid " " and resid 30 and name HB2 )) ASSI { 775} (( segid " " and resid 33 and name HN )) (( segid " " and resid 71 and name HG1 )) 4.800 2.900 1.200 peak 775 spectrum 1 weight 0.10000E+01 volume 0.38351E-03 ppm1 7.210 ppm2 2.181 CV 1 OR { 775} (( segid " " and resid 33 and name HN )) (( segid " " and resid 34 and name HB1 )) ASSI { 776} (( segid " " and resid 33 and name HN )) (( segid " " and resid 30 and name HB1 )) 4.200 2.200 1.800 peak 776 spectrum 1 weight 0.10000E+01 volume 0.56814E-03 ppm1 7.209 ppm2 3.299 CV 1 OR { 776} (( segid " " and resid 33 and name HN )) (( segid " " and resid 31 and name HA )) ASSI { 787} (( segid " " and resid 65 and name HN )) (( segid " " and resid 63 and name HA )) 3.900 1.900 1.900 peak 787 spectrum 1 weight 0.10000E+01 volume 0.44188E-03 ppm1 8.221 ppm2 4.523 CV 1 OR { 787} (( segid " " and resid 65 and name HN )) (( segid " " and resid 61 and name HA )) ASSI { 809} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HB1 )) 2.900 1.000 1.000 peak 809 spectrum 1 weight 0.10000E+01 volume 0.27110E-02 ppm1 8.821 ppm2 2.825 CV 1 OR { 809} (( segid " " and resid 62 and name HN )) (( segid " " and resid 63 and name HB1 )) ASSI { 810} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HB2 )) 3.000 1.100 1.100 peak 810 spectrum 1 weight 0.10000E+01 volume 0.39890E-02 ppm1 8.821 ppm2 2.740 CV 1 OR { 810} (( segid " " and resid 62 and name HN )) (( segid " " and resid 63 and name HB2 )) ASSI { 815} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HB2 )) 4.100 2.100 1.900 peak 815 spectrum 1 weight 0.10000E+01 volume 0.88278E-03 ppm1 8.459 ppm2 1.845 CV 1 OR { 815} (( segid " " and resid 35 and name HN )) (( segid " " and resid 38 and name HG11)) ASSI { 816} (( segid " " and resid 35 and name HN )) ( segid " " and resid 70 and name HG2%) 4.100 2.100 1.900 peak 816 spectrum 1 weight 0.10000E+01 volume 0.86760E-03 ppm1 8.456 ppm2 1.070 CV 1 OR { 816} (( segid " " and resid 35 and name HN )) ( segid " " and resid 38 and name HG2%) ASSI { 820} (( segid " " and resid 44 and name HN )) ( segid " " and resid 44 and name HB% ) 2.300 0.700 0.700 peak 820 spectrum 1 weight 0.10000E+01 volume 0.90633E-02 ppm1 8.158 ppm2 1.518 CV 1 OR { 820} (( segid " " and resid 44 and name HN )) (( segid " " and resid 45 and name HB2 )) ASSI { 827} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HB2 )) 3.600 1.700 1.700 peak 827 spectrum 1 weight 0.10000E+01 volume 0.12649E-02 ppm1 7.830 ppm2 4.049 CV 1 OR { 827} (( segid " " and resid 18 and name HN )) (( segid " " and resid 19 and name HA1 )) OR { 827} (( segid " " and resid 18 and name HN )) (( segid " " and resid 19 and name HA2 )) ASSI { 832} (( segid " " and resid 62 and name HN )) ( segid " " and resid 64 and name HG2%) 5.000 3.100 1.000 peak 832 spectrum 1 weight 0.10000E+01 volume 0.41750E-03 ppm1 8.821 ppm2 1.025 CV 1 OR { 832} (( segid " " and resid 62 and name HN )) ( segid " " and resid 60 and name HG2%) ASSI { 849} (( segid " " and resid 18 and name HN )) ( segid " " and resid 15 and name HG2%) 5.200 3.400 0.800 peak 849 spectrum 1 weight 0.10000E+01 volume 0.21084E-03 ppm1 7.831 ppm2 1.127 CV 1 OR { 849} (( segid " " and resid 18 and name HN )) ( segid " " and resid 48 and name HG2%) ASSI { 850} (( segid " " and resid 18 and name HN )) ( segid " " and resid 15 and name HG1%) 3.700 1.700 1.700 peak 850 spectrum 1 weight 0.10000E+01 volume 0.24841E-03 ppm1 7.832 ppm2 1.033 CV 1 OR { 850} (( segid " " and resid 18 and name HN )) ( segid " " and resid 10 and name HD1%) ASSI { 857} (( segid " " and resid 41 and name HN )) ( segid " " and resid 44 and name HB% ) 2.700 0.900 0.900 peak 857 spectrum 1 weight 0.10000E+01 volume 0.35312E-02 ppm1 7.975 ppm2 1.519 CV 1 OR { 857} (( segid " " and resid 41 and name HN )) (( segid " " and resid 45 and name HB2 )) ASSI { 873} (( segid " " and resid 49 and name HN )) (( segid " " and resid 46 and name HA )) 3.100 1.200 1.200 peak 873 spectrum 1 weight 0.10000E+01 volume 0.17799E-02 ppm1 8.755 ppm2 4.252 CV 1 OR { 873} (( segid " " and resid 49 and name HN )) (( segid " " and resid 47 and name HA )) OR { 873} (( segid " " and resid 49 and name HN )) (( segid " " and resid 50 and name HA )) ASSI { 874} (( segid " " and resid 49 and name HN )) (( segid " " and resid 49 and name HA )) 2.600 0.900 0.900 peak 874 spectrum 1 weight 0.10000E+01 volume 0.38009E-02 ppm1 8.755 ppm2 3.950 CV 1 OR { 874} (( segid " " and resid 49 and name HN )) (( segid " " and resid 48 and name HA )) ASSI { 880} (( segid " " and resid 49 and name HN )) ( segid " " and resid 48 and name HG2%) 3.400 1.500 1.500 peak 880 spectrum 1 weight 0.10000E+01 volume 0.15577E-02 ppm1 8.755 ppm2 1.126 CV 1 OR { 880} (( segid " " and resid 49 and name HN )) (( segid " " and resid 60 and name HG12)) ASSI { 882} (( segid " " and resid 49 and name HN )) (( segid " " and resid 46 and name HB1 )) 4.200 2.200 1.800 peak 882 spectrum 1 weight 0.10000E+01 volume 0.33632E-03 ppm1 8.755 ppm2 2.341 CV 1 OR { 882} (( segid " " and resid 49 and name HN )) (( segid " " and resid 47 and name HB1 )) OR { 882} (( segid " " and resid 49 and name HN )) (( segid " " and resid 53 and name HB2 )) OR { 882} (( segid " " and resid 49 and name HN )) (( segid " " and resid 53 and name HG2 )) ASSI { 883} (( segid " " and resid 49 and name HN )) (( segid " " and resid 51 and name HB1 )) 4.400 2.400 1.600 peak 883 spectrum 1 weight 0.10000E+01 volume 0.45798E-03 ppm1 8.754 ppm2 2.201 CV 1 OR { 883} (( segid " " and resid 49 and name HN )) (( segid " " and resid 52 and name HB1 )) OR { 883} (( segid " " and resid 49 and name HN )) (( segid " " and resid 64 and name HB )) ASSI { 892} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HA )) 2.500 0.800 0.800 peak 892 spectrum 1 weight 0.10000E+01 volume 0.50041E-02 ppm1 7.787 ppm2 4.266 CV 1 OR { 892} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HA )) ASSI { 900} (( segid " " and resid 81 and name HN )) ( segid " " and resid 78 and name HG2%) 3.700 1.700 1.700 peak 900 spectrum 1 weight 0.10000E+01 volume 0.63403E-03 ppm1 7.585 ppm2 0.863 CV 1 OR { 900} (( segid " " and resid 81 and name HN )) ( segid " " and resid 60 and name HD1%) ASSI { 902} (( segid " " and resid 43 and name HN )) ( segid " " and resid 44 and name HB% ) 4.300 2.300 1.700 peak 902 spectrum 1 weight 0.10000E+01 volume 0.87999E-03 ppm1 7.786 ppm2 1.513 CV 1 OR { 902} (( segid " " and resid 43 and name HN )) (( segid " " and resid 45 and name HB2 )) ASSI { 905} (( segid " " and resid 43 and name HN )) (( segid " " and resid 41 and name HB2 )) 4.400 2.400 1.600 peak 905 spectrum 1 weight 0.10000E+01 volume 0.52213E-03 ppm1 7.789 ppm2 2.844 CV 1 OR { 905} (( segid " " and resid 43 and name HN )) (( segid " " and resid 46 and name HG1 )) ASSI { 910} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name H28B)) 4.100 2.100 1.900 peak 910 spectrum 1 weight 0.10000E+01 volume 0.35014E-03 ppm1 7.787 ppm2 3.901 CV 1 OR { 910} (( segid " " and resid 43 and name HN )) (( segid " " and resid 45 and name HA )) OR { 910} (( segid " " and resid 43 and name HN )) (( segid " " and resid 66 and name HA2 )) ASSI { 922} (( segid " " and resid 5 and name HN )) (( segid " " and resid 4 and name HG )) 4.500 2.500 1.500 peak 922 spectrum 1 weight 0.10000E+01 volume 0.75874E-03 ppm1 9.428 ppm2 1.703 CV 1 OR { 922} (( segid " " and resid 5 and name HN )) (( segid " " and resid 75 and name HG )) ASSI { 926} (( segid " " and resid 5 and name HN )) ( segid " " and resid 4 and name HD2%) 3.400 1.500 1.500 peak 926 spectrum 1 weight 0.10000E+01 volume 0.19291E-02 ppm1 9.428 ppm2 0.974 CV 1 OR { 926} (( segid " " and resid 5 and name HN )) ( segid " " and resid 82 and name HD1%) ASSI { 927} (( segid " " and resid 5 and name HN )) ( segid " " and resid 78 and name HG2%) 4.000 2.000 2.000 peak 927 spectrum 1 weight 0.10000E+01 volume 0.16541E-02 ppm1 9.428 ppm2 0.878 CV 1 OR { 927} (( segid " " and resid 5 and name HN )) ( segid " " and resid 4 and name HD1%) OR { 927} (( segid " " and resid 5 and name HN )) ( segid " " and resid 75 and name HD2%) ASSI { 931} (( segid " " and resid 4 and name HN )) (( segid " " and resid 3 and name HA )) 2.000 0.500 0.500 peak 931 spectrum 1 weight 0.10000E+01 volume 0.16652E-01 ppm1 8.146 ppm2 4.383 CV 1 OR { 931} (( segid " " and resid 4 and name HN )) (( segid " " and resid 4 and name HA )) ASSI { 996} (( segid " " and resid 77 and name HN )) ( segid " " and resid 77 and name HD1%) 3.700 1.700 1.700 peak 996 spectrum 1 weight 0.10000E+01 volume 0.17323E-02 ppm1 8.003 ppm2 0.961 CV 1 OR { 996} (( segid " " and resid 77 and name HN )) ( segid " " and resid 77 and name HD2%) OR { 996} (( segid " " and resid 77 and name HN )) ( segid " " and resid 64 and name HG1%) ASSI { 1008} (( segid " " and resid 10 and name HN )) ( segid " " and resid 10 and name HD2%) 4.400 2.500 1.600 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.10167E-02 ppm1 8.066 ppm2 1.128 CV 1 OR { 1008} (( segid " " and resid 10 and name HN )) ( segid " " and resid 48 and name HG2%) ASSI { 1010} (( segid " " and resid 75 and name HN )) ( segid " " and resid 75 and name HD2%) 4.500 2.500 1.500 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.87653E-03 ppm1 8.727 ppm2 0.875 CV 1 OR { 1010} (( segid " " and resid 75 and name HN )) ( segid " " and resid 52 and name HD1%) ASSI { 1011} (( segid " " and resid 75 and name HN )) ( segid " " and resid 75 and name HD1%) 4.200 2.200 1.800 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.98766E-03 ppm1 8.727 ppm2 0.790 CV 1 OR { 1011} (( segid " " and resid 75 and name HN )) ( segid " " and resid 78 and name HD1%) ASSI { 1012} (( segid " " and resid 52 and name HN )) ( segid " " and resid 52 and name HD1%) 3.900 1.900 1.900 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.15952E-02 ppm1 8.414 ppm2 0.862 CV 1 OR { 1012} (( segid " " and resid 52 and name HN )) ( segid " " and resid 78 and name HG2%) ASSI { 1014} (( segid " " and resid 11 and name HN )) (( segid " " and resid 30 and name HZ )) 3.200 1.300 1.300 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.19201E-02 ppm1 8.834 ppm2 7.333 CV 1 OR { 1014} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HE ))
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