NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
476620 | 2kxh | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 1} (( segid " A" and resid 232 and name HA )) (( segid " B" and resid 30 and name HB% )) 2.800 1.000 0.700 peak 1 spectrum 5 ASSI { 2} (( segid " A" and resid 228 and name HG1% )) (( segid " B" and resid 35 and name HD2% )) 2.800 1.000 0.700 peak 2 spectrum 5 OR { 2} (( segid " A" and resid 228 and name HG1% )) (( segid " B" and resid 35 and name HD1% )) ASSI { 3} (( segid " A" and resid 231 and name HB% )) (( segid " B" and resid 30 and name HB% )) 3.500 1.700 1.500 peak 3 spectrum 5 ASSI { 4} (( segid " A" and resid 227 and name HB2 )) (( segid " B" and resid 35 and name HD2% )) 3.500 1.700 1.500 peak 4 spectrum 5 OR { 4} (( segid " A" and resid 227 and name HB2 )) (( segid " B" and resid 35 and name HD1% )) ASSI { 5} (( segid " A" and resid 227 and name HB1 )) (( segid " B" and resid 35 and name HD1% )) 3.500 1.700 1.500 peak 5 spectrum 5 OR { 5} (( segid " A" and resid 227 and name HB1 )) (( segid " B" and resid 35 and name HD2% )) ASSI { 6} (( segid " A" and resid 231 and name HB% )) (( segid " B" and resid 33 and name HB1 )) 2.800 1.000 0.700 peak 6 spectrum 5 ASSI { 7} (( segid " A" and resid 231 and name HB% )) (( segid " B" and resid 33 and name HB2 )) 2.800 1.000 0.700 peak 7 spectrum 5 ASSI { 8} (( segid " A" and resid 224 and name HB1 )) (( segid " B" and resid 41 and name HG2% )) 3.500 1.700 1.500 peak 8 spectrum 5 OR { 8} (( segid " A" and resid 224 and name HB1 )) (( segid " B" and resid 41 and name HD1% )) ASSI { 9} (( segid " A" and resid 224 and name HB2 )) (( segid " B" and resid 41 and name HG2% )) 3.500 1.700 1.500 peak 9 spectrum 5 OR { 9} (( segid " A" and resid 224 and name HB2 )) (( segid " B" and resid 41 and name HD1% )) ASSI { 10} (( segid " A" and resid 224 and name HA )) (( segid " B" and resid 41 and name HG2% )) 2.800 1.000 0.700 peak 10 spectrum 5 OR { 10} (( segid " A" and resid 224 and name HA )) (( segid " B" and resid 41 and name HD1% )) ASSI { 11} (( segid " A" and resid 275 and name HD1% )) (( segid " B" and resid 41 and name HD1% )) 2.300 0.500 0.500 peak 11 spectrum 5 OR { 11} (( segid " A" and resid 275 and name HD1% )) (( segid " B" and resid 41 and name HG2% )) ASSI { 12} (( segid " A" and resid 269 and name HB1 )) (( segid " B" and resid 27 and name HG1%)) 3.500 1.700 1.500 peak 12 spectrum 5 OR { 12} (( segid " A" and resid 269 and name HB1 )) (( segid " B" and resid 27 and name HG2%)) ASSI { 13} (( segid " A" and resid 269 and name HB2 )) (( segid " B" and resid 27 and name HG1%)) 3.500 1.700 1.500 peak 13 spectrum 5 OR { 13} (( segid " A" and resid 269 and name HB2 )) (( segid " B" and resid 27 and name HG2%)) ASSI { 14} (( segid " A" and resid 269 and name HA )) (( segid " B" and resid 27 and name HG1%)) 3.500 1.700 1.500 peak 14 spectrum 5 OR { 14} (( segid " A" and resid 269 and name HA )) (( segid " B" and resid 27 and name HG2%)) ASSI { 15} (( segid " A" and resid 265 and name HA )) (( segid " B" and resid 27 and name HG1%)) 3.500 1.700 1.500 peak 15 spectrum 5 OR { 15} (( segid " A" and resid 265 and name HA )) (( segid " B" and resid 27 and name HG2%)) ASSI { 16} (( segid " A" and resid 265 and name HB1 )) (( segid " B" and resid 27 and name HG1%)) 3.500 1.700 1.500 peak 16 spectrum 5 OR { 16} (( segid " A" and resid 265 and name HB1 )) (( segid " B" and resid 27 and name HG2%)) ASSI { 17} (( segid " A" and resid 265 and name HB2 )) (( segid " B" and resid 27 and name HG1%)) 3.500 1.700 1.500 peak 17 spectrum 5 OR { 17} (( segid " A" and resid 265 and name HB2 )) (( segid " B" and resid 27 and name HG2%)) ASSI { 18} (( segid " A" and resid 220 and name HD1% )) (( segid " B" and resid 39 and name HG1)) 3.500 1.700 1.500 peak 18 spectrum 5 ASSI { 19} (( segid " A" and resid 220 and name HD1% )) (( segid " B" and resid 39 and name HG2)) 3.500 1.700 1.500 peak 19 spectrum 5 ASSI { 20} (( segid " A" and resid 231 and name HB% )) (( segid " B" and resid 37 and name HD1)) 4.000 2.200 2.000 peak 20 spectrum 5 ASSI { 21} (( segid " A" and resid 231 and name HB% )) (( segid " B" and resid 37 and name HD2)) 4.000 2.200 2.000 peak 21 spectrum 5 ASSI { 22} (( segid " A" and resid 269 and name HB1 )) (( segid " B" and resid 31 and name HD% )) 3.500 1.700 1.500 peak 22 spectrum 5 ASSI { 23} (( segid " A" and resid 269 and name HB2 )) (( segid " B" and resid 31 and name HD% )) 3.500 1.700 1.500 peak 23 spectrum 5 ASSI { 24} (( segid " A" and resid 220 and name HD2% )) (( segid " B" and resid 41 and name HD1% )) 2.800 1.000 0.700 peak 24 spectrum 5 OR { 24} (( segid " A" and resid 220 and name HD2% )) (( segid " B" and resid 41 and name HG2% )) ASSI { 25} (( segid " A" and resid 220 and name HD1% )) (( segid " B" and resid 41 and name HD1% )) 2.800 1.000 0.700 peak 25 spectrum 5 OR { 25} (( segid " A" and resid 220 and name HD1% )) (( segid " B" and resid 41 and name HG2% )) ASSI { 26} (( segid " A" and resid 228 and name HG1% )) (( segid " B" and resid 41 and name HD1% )) 2.300 0.500 0.500 peak 26 spectrum 5 OR { 26} (( segid " A" and resid 228 and name HG1% )) (( segid " B" and resid 41 and name HG2% )) ASSI { 27} (( segid " A" and resid 228 and name HG2% )) (( segid " B" and resid 41 and name HD1% )) 3.500 1.700 1.500 peak 27 spectrum 5 OR { 27} (( segid " A" and resid 228 and name HG2% )) (( segid " B" and resid 41 and name HG2% )) ASSI { 28} (( segid " A" and resid 227 and name HB1 )) (( segid " B" and resid 41 and name HD1% )) 3.500 1.700 1.500 peak 28 spectrum 5 OR { 28} (( segid " A" and resid 227 and name HB1 )) (( segid " B" and resid 41 and name HG2% )) ASSI { 29} (( segid " A" and resid 227 and name HB2 )) (( segid " B" and resid 41 and name HD1% )) 3.500 1.700 1.500 peak 29 spectrum 5 OR { 29} (( segid " A" and resid 227 and name HB2 )) (( segid " B" and resid 41 and name HG2% )) ASSI { 30} (( segid " A" and resid 275 and name HD2% )) (( segid " B" and resid 41 and name HD1% )) 2.800 1.000 0.700 peak 30 spectrum 5 OR { 30} (( segid " A" and resid 275 and name HD2% )) (( segid " B" and resid 41 and name HG2% )) ASSI { 31} (( segid " A" and resid 228 and name HG1% )) (( segid " B" and resid 34 and name HA )) 2.300 0.500 0.500 peak 31 spectrum 5 OR { 31} (( segid " A" and resid 228 and name HG1% )) (( segid " B" and resid 35 and name HA )) OR { 31} (( segid " A" and resid 228 and name HG1% )) (( segid " B" and resid 38 and name HA )) ASSI { 32} (( segid " A" and resid 228 and name HG1% )) (( segid " B" and resid 37 and name HB1 )) 2.800 1.000 0.700 peak 32 spectrum 5 OR { 32} (( segid " A" and resid 228 and name HG1% )) (( segid " B" and resid 37 and name HB2 )) OR { 32} (( segid " A" and resid 228 and name HG1% )) (( segid " B" and resid 41 and name HB )) ASSI { 33} (( segid " A" and resid 228 and name HG1% )) (( segid " B" and resid 38 and name HB% )) 2.800 1.000 0.700 peak 33 spectrum 5 ASSI { 34} (( segid " A" and resid 228 and name HG1% )) (( segid " B" and resid 41 and name HG11 )) 3.500 1.700 1.500 peak 34 spectrum 5 ASSI { 35} (( segid " A" and resid 228 and name HG2% )) (( segid " B" and resid 34 and name HA )) 3.500 1.700 1.500 peak 35 spectrum 5 OR { 35} (( segid " A" and resid 228 and name HG2% )) (( segid " B" and resid 35 and name HA )) ASSI { 36} (( segid " A" and resid 228 and name HG2% )) (( segid " B" and resid 37 and name HB1 )) 3.500 1.700 1.500 peak 36 spectrum 5 OR { 36} (( segid " A" and resid 228 and name HG2% )) (( segid " B" and resid 37 and name HB2 )) OR { 36} (( segid " A" and resid 228 and name HG2% )) (( segid " B" and resid 41 and name HB )) ASSI { 37} (( segid " A" and resid 228 and name HG2% )) (( segid " B" and resid 38 and name HB% )) 2.800 1.000 0.700 peak 37 spectrum 5 ASSI { 38} (( segid " A" and resid 228 and name HG2% )) (( segid " B" and resid 34 and name HB% )) 3.500 1.700 1.500 peak 38 spectrum 5 ASSI { 39} (( segid " A" and resid 231 and name HB% )) (( segid " B" and resid 30 and name HA )) 2.300 0.500 0.500 peak 39 spectrum 5 OR { 39} (( segid " A" and resid 231 and name HB% )) (( segid " B" and resid 34 and name HA )) ASSI { 40} (( segid " A" and resid 231 and name HB% )) (( segid " B" and resid 31 and name HB1 )) 4.000 2.200 2.000 peak 40 spectrum 5 OR { 40} (( segid " A" and resid 231 and name HB% )) (( segid " B" and resid 31 and name HB2 )) ASSI { 41} (( segid " A" and resid 231 and name HB% )) (( segid " B" and resid 37 and name HB1 )) 3.500 1.700 1.500 peak 41 spectrum 5 ASSI { 42} (( segid " A" and resid 231 and name HB% )) (( segid " B" and resid 37 and name HB2 )) 3.500 1.700 1.500 peak 42 spectrum 5 ASSI { 43} (( segid " A" and resid 231 and name HB% )) (( segid " B" and resid 34 and name HB% )) 3.500 1.700 1.500 peak 43 spectrum 5 ASSI { 44} (( segid " A" and resid 232 and name HA )) (( segid " B" and resid 34 and name HB% )) 3.500 1.700 1.500 peak 44 spectrum 5 ASSI { 45} (( segid " A" and resid 275 and name HD1% )) (( segid " B" and resid 41 and name HB )) 3.500 1.700 1.500 peak 45 spectrum 5 ASSI { 46} (( segid " A" and resid 275 and name HD1% )) (( segid " B" and resid 38 and name HB% )) 2.800 1.000 0.700 peak 46 spectrum 5 ASSI { 47} (( segid " A" and resid 232 and name HD% )) (( segid " B" and resid 30 and name HB% )) 3.500 1.700 1.500 peak 47 spectrum 5 ASSI { 48} (( segid " A" and resid 232 and name HE% )) (( segid " B" and resid 30 and name HB% )) 3.500 1.700 1.500 peak 48 spectrum 5 ASSI { 49} (( segid " A" and resid 273 and name HE% )) (( segid " B" and resid 41 and name HG2% )) 3.500 1.700 1.500 peak 49 spectrum 5 ASSI { 50} (( segid " A" and resid 273 and name HE% )) (( segid " B" and resid 41 and name HD1% )) 3.500 1.700 1.500 peak 50 spectrum 5 ASSI { 51} (( segid " A" and resid 273 and name HD% )) (( segid " B" and resid 41 and name HD1% )) 3.500 1.700 1.500 peak 51 spectrum 5 ASSI { 52} (( segid " A" and resid 232 and name HE% )) (( segid " B" and resid 34 and name HA )) 2.800 1.000 0.700 peak 52 spectrum 5 ASSI { 53} (( segid " A" and resid 273 and name HD% )) (( segid " B" and resid 38 and name HA )) 3.500 1.700 1.500 peak 53 spectrum 5 ASSI { 54} (( segid " A" and resid 273 and name HE% )) (( segid " B" and resid 38 and name HA )) 2.800 1.000 0.700 peak 54 spectrum 5 ASSI { 55} (( segid " A" and resid 273 and name HD% )) (( segid " B" and resid 35 and name HG )) 3.500 1.700 1.500 peak 55 spectrum 5 ASSI { 56} (( segid " A" and resid 232 and name HD% )) (( segid " B" and resid 27 and name HG1% )) 3.500 1.700 1.500 peak 56 spectrum 5 OR { 56} (( segid " A" and resid 232 and name HD% )) (( segid " B" and resid 27 and name HG2% )) ASSI { 57} (( segid " A" and resid 232 and name HE% )) (( segid " B" and resid 27 and name HG1% )) 3.500 1.800 1.500 peak 57 spectrum 5 OR { 57} (( segid " A" and resid 232 and name HE% )) (( segid " B" and resid 27 and name HG2% )) ASSI { 58} (( segid " A" and resid 232 and name HD% )) (( segid " B" and resid 31 and name HA )) 2.300 0.500 0.500 peak 58 spectrum 5 !#ASSI { 59} !# (( segid " A" and resid 273 and name HE% )) !# (( segid " B" and resid 35 and name HA )) !# 2.800 1.000 0.700 peak 59 spectrum 5 ASSI { 60} (( segid " A" and resid 228 and name HG1% )) (( segid " B" and resid 31 and name HD% )) 2.800 1.000 0.700 peak 60 spectrum 5 ASSI { 61} (( segid " A" and resid 228 and name HG1% )) (( segid " B" and resid 31 and name HE% )) 2.800 1.000 0.700 peak 61 spectrum 5 ASSI { 62} (( segid " A" and resid 220 and name HD1% )) (( segid " B" and resid 44 and name HE1 )) 3.500 1.700 1.500 peak 62 spectrum 5 OR { 62} (( segid " A" and resid 220 and name HD1% )) (( segid " B" and resid 44 and name HE2 )) ASSI { 63} (( segid " A" and resid 219 and name HB1 )) (( segid " B" and resid 45 and name HA )) 3.500 1.700 1.500 peak 63 spectrum 5 ASSI { 64} (( segid " A" and resid 219 and name HB2 )) (( segid " B" and resid 45 and name HA )) 3.500 1.700 1.500 peak 64 spectrum 5 ASSI { 65} (( segid " A" and resid 220 and name HD1% )) (( segid " B" and resid 41 and name HB )) 3.500 1.700 1.500 peak 65 spectrum 5 ASSI { 66} (( segid " A" and resid 220 and name HD1% )) (( segid " B" and resid 38 and name HB% )) 3.500 1.700 1.500 peak 66 spectrum 5 ASSI { 67} (( segid " A" and resid 228 and name HA )) (( segid " B" and resid 37 and name HB1 )) 3.500 1.700 1.500 peak 67 spectrum 5 OR { 67} (( segid " A" and resid 228 and name HA )) (( segid " B" and resid 37 and name HB2 )) ASSI { 68} (( segid " A" and resid 231 and name HB% )) (( segid " B" and resid 33 and name HA )) 3.500 1.700 1.500 peak 68 spectrum 5 ASSI { 69} (( segid " A" and resid 231 and name HB% )) (( segid " B" and resid 37 and name HG1 )) 3.500 1.700 1.500 peak 69 spectrum 5 OR { 69} (( segid " A" and resid 231 and name HB% )) (( segid " B" and resid 37 and name HG2 )) ASSI { 70} (( segid " A" and resid 270 and name HE% )) (( segid " B" and resid 38 and name HB% )) 4.000 2.200 2.000 peak 70 spectrum 5 ASSI { 71} (( segid " A" and resid 270 and name HE% )) (( segid " B" and resid 34 and name HB% )) 4.000 2.200 2.000 peak 71 spectrum 5 ASSI { 72} (( segid " A" and resid 275 and name HD1% )) (( segid " B" and resid 38 and name HA )) 2.800 1.000 0.700 peak 72 spectrum 5 OR { 72} (( segid " A" and resid 275 and name HD1% )) (( segid " B" and resid 35 and name HA )) OR { 72} (( segid " A" and resid 275 and name HD1% )) (( segid " B" and resid 39 and name HA )) ASSI { 73} (( segid " A" and resid 275 and name HD1% )) (( segid " B" and resid 42 and name HB% )) 3.500 1.700 1.500 peak 73 spectrum 5 ASSI { 1} ( segid " A" and resid 285 and name HB% ) (( segid " A" and resid 211 and name HN )) 6.000 4.500 0.000 peak 1 spectrum 1 weight 0.10000E+01 volume 0.54677E-03 ppm1 1.513 ppm2 9.543 CV 1 ASSI { 2} ( segid " A" and resid 255 and name HD1%) (( segid " A" and resid 211 and name HN )) 6.000 4.500 0.000 peak 2 spectrum 1 weight 0.10000E+01 volume 0.64558E-03 ppm1 -0.124 ppm2 9.544 CV 1 ASSI { 3} (( segid " A" and resid 210 and name HA )) (( segid " A" and resid 211 and name HN )) 6.000 4.500 0.000 peak 3 spectrum 1 weight 0.10000E+01 volume 0.13621E-02 ppm1 5.728 ppm2 9.533 CV 1 ASSI { 4} (( segid " A" and resid 256 and name HA )) (( segid " A" and resid 211 and name HN )) 6.000 4.500 0.000 peak 4 spectrum 1 weight 0.10000E+01 volume 0.71238E-03 ppm1 5.032 ppm2 9.524 CV 1 ASSI { 5} (( segid " A" and resid 210 and name HB2 )) (( segid " A" and resid 211 and name HN )) 6.000 4.500 0.000 peak 5 spectrum 1 weight 0.10000E+01 volume 0.51629E-03 ppm1 1.875 ppm2 9.539 CV 1 ASSI { 6} ( segid " A" and resid 267 and name HG2%) (( segid " A" and resid 211 and name HN )) 6.000 4.500 0.000 peak 6 spectrum 1 weight 0.10000E+01 volume 0.52461E-03 ppm1 1.000 ppm2 9.523 CV 1 OR { 6} ( segid " A" and resid 282 and name HG1%) (( segid " A" and resid 211 and name HN )) ASSI { 7} ( segid " A" and resid 211 and name HG2%) (( segid " A" and resid 211 and name HN )) 6.000 4.500 0.000 peak 7 spectrum 1 weight 0.10000E+01 volume 0.18820E-02 ppm1 0.958 ppm2 9.537 CV 1 ASSI { 8} ( segid " A" and resid 255 and name HG2%) (( segid " A" and resid 211 and name HN )) 6.000 4.500 0.000 peak 8 spectrum 1 weight 0.10000E+01 volume 0.76254E-03 ppm1 0.217 ppm2 9.520 CV 1 ASSI { 9} ( segid " A" and resid 211 and name HD1%) (( segid " A" and resid 211 and name HN )) 6.000 4.500 0.000 peak 9 spectrum 1 weight 0.10000E+01 volume 0.10422E-02 ppm1 0.741 ppm2 9.536 CV 1 ASSI { 10} ( segid " A" and resid 158 and name HG1%) (( segid " A" and resid 160 and name HH )) 6.000 4.500 0.000 peak 10 spectrum 1 weight 0.10000E+01 volume 0.48148E-03 ppm1 0.135 ppm2 9.378 CV 1 ASSI { 11} ( segid " A" and resid 128 and name HG2%) (( segid " A" and resid 160 and name HH )) 6.000 4.500 0.000 peak 11 spectrum 1 weight 0.10000E+01 volume 0.46970E-03 ppm1 0.531 ppm2 9.384 CV 1 OR { 11} ( segid " A" and resid 138 and name HG2%) (( segid " A" and resid 160 and name HH )) ASSI { 12} ( segid " A" and resid 138 and name HD1%) (( segid " A" and resid 160 and name HH )) 6.000 4.500 0.000 peak 12 spectrum 1 weight 0.10000E+01 volume 0.60818E-03 ppm1 0.760 ppm2 9.381 CV 1 ASSI { 13} ( segid " A" and resid 114 and name HG1%) (( segid " A" and resid 160 and name HH )) 6.000 4.500 0.000 peak 13 spectrum 1 weight 0.10000E+01 volume 0.50375E-03 ppm1 0.882 ppm2 9.353 CV 1 ASSI { 14} ( segid " A" and resid 169 and name HB% ) (( segid " A" and resid 160 and name HH )) 6.000 4.500 0.000 peak 14 spectrum 1 weight 0.10000E+01 volume 0.57942E-03 ppm1 1.348 ppm2 9.348 CV 1 ASSI { 15} (( segid " A" and resid 279 and name HA )) (( segid " A" and resid 280 and name HN )) 6.000 4.500 0.000 peak 15 spectrum 1 weight 0.10000E+01 volume 0.58504E-03 ppm1 4.828 ppm2 9.244 CV 1 ASSI { 16} ( segid " A" and resid 280 and name HD1%) (( segid " A" and resid 280 and name HN )) 6.000 4.500 0.000 peak 16 spectrum 1 weight 0.10000E+01 volume 0.59618E-03 ppm1 1.052 ppm2 9.252 CV 1 ASSI { 17} ( segid " A" and resid 280 and name HD2%) (( segid " A" and resid 280 and name HN )) 6.000 4.500 0.000 peak 17 spectrum 1 weight 0.10000E+01 volume 0.67401E-03 ppm1 0.866 ppm2 9.255 CV 1 ASSI { 18} (( segid " A" and resid 212 and name HA )) (( segid " A" and resid 212 and name HN )) 6.000 4.500 0.000 peak 18 spectrum 1 weight 0.10000E+01 volume 0.56839E-03 ppm1 4.709 ppm2 9.172 CV 1 ASSI { 19} ( segid " A" and resid 213 and name HG1%) (( segid " A" and resid 212 and name HN )) 6.000 4.500 0.000 peak 19 spectrum 1 weight 0.10000E+01 volume 0.85735E-03 ppm1 0.341 ppm2 9.158 CV 1 ASSI { 20} ( segid " A" and resid 285 and name HB% ) (( segid " A" and resid 212 and name HN )) 6.000 4.500 0.000 peak 20 spectrum 1 weight 0.10000E+01 volume 0.89626E-03 ppm1 1.515 ppm2 9.166 CV 1 ASSI { 21} ( segid " A" and resid 211 and name HG2%) (( segid " A" and resid 212 and name HN )) 6.000 4.500 0.000 peak 21 spectrum 1 weight 0.10000E+01 volume 0.21674E-02 ppm1 0.961 ppm2 9.162 CV 1 ASSI { 22} (( segid " A" and resid 211 and name HA )) (( segid " A" and resid 212 and name HN )) 6.000 4.500 0.000 peak 22 spectrum 1 weight 0.10000E+01 volume 0.13005E-02 ppm1 5.077 ppm2 9.157 CV 1 ASSI { 23} (( segid " A" and resid 284 and name HA )) (( segid " A" and resid 212 and name HN )) 6.000 4.500 0.000 peak 23 spectrum 1 weight 0.10000E+01 volume 0.87410E-03 ppm1 4.412 ppm2 9.153 CV 1 ASSI { 24} (( segid " A" and resid 211 and name HB )) (( segid " A" and resid 212 and name HN )) 6.000 4.500 0.000 peak 24 spectrum 1 weight 0.10000E+01 volume 0.71336E-03 ppm1 1.986 ppm2 9.153 CV 1 ASSI { 26} ( segid " A" and resid 267 and name HG2%) (( segid " A" and resid 212 and name HN )) 6.000 4.500 0.000 peak 26 spectrum 1 weight 0.10000E+01 volume 0.19069E-02 ppm1 0.994 ppm2 9.153 CV 1 OR { 26} ( segid " A" and resid 282 and name HG1%) (( segid " A" and resid 212 and name HN )) ASSI { 27} ( segid " A" and resid 211 and name HD1%) (( segid " A" and resid 212 and name HN )) 6.000 4.500 0.000 peak 27 spectrum 1 weight 0.10000E+01 volume 0.11967E-02 ppm1 0.739 ppm2 9.155 CV 1 ASSI { 28} (( segid " A" and resid 114 and name HA )) (( segid " A" and resid 114 and name HN )) 6.000 4.500 0.000 peak 28 spectrum 1 weight 0.10000E+01 volume 0.86848E-03 ppm1 4.721 ppm2 9.086 CV 1 ASSI { 29} (( segid " A" and resid 113 and name HA )) (( segid " A" and resid 114 and name HN )) 6.000 4.500 0.000 peak 29 spectrum 1 weight 0.10000E+01 volume 0.16139E-02 ppm1 5.360 ppm2 9.086 CV 1 ASSI { 30} (( segid " A" and resid 114 and name HB )) (( segid " A" and resid 114 and name HN )) 6.000 4.500 0.000 peak 30 spectrum 1 weight 0.10000E+01 volume 0.99074E-03 ppm1 2.098 ppm2 9.079 CV 1 ASSI { 31} (( segid " A" and resid 113 and name HB1 )) (( segid " A" and resid 114 and name HN )) 6.000 4.500 0.000 peak 31 spectrum 1 weight 0.10000E+01 volume 0.59055E-03 ppm1 1.805 ppm2 9.083 CV 1 ASSI { 32} (( segid " A" and resid 113 and name HB2 )) (( segid " A" and resid 114 and name HN )) 6.000 4.500 0.000 peak 32 spectrum 1 weight 0.10000E+01 volume 0.69768E-03 ppm1 1.734 ppm2 9.090 CV 1 ASSI { 33} (( segid " A" and resid 113 and name HG2 )) (( segid " A" and resid 114 and name HN )) 6.000 4.500 0.000 peak 33 spectrum 1 weight 0.10000E+01 volume 0.69076E-03 ppm1 1.733 ppm2 9.084 CV 1 ASSI { 34} (( segid " A" and resid 113 and name HG1 )) (( segid " A" and resid 114 and name HN )) 6.000 4.500 0.000 peak 34 spectrum 1 weight 0.10000E+01 volume 0.45089E-03 ppm1 1.387 ppm2 9.084 CV 1 ASSI { 35} ( segid " A" and resid 114 and name HG2%) (( segid " A" and resid 114 and name HN )) 6.000 4.500 0.000 peak 35 spectrum 1 weight 0.10000E+01 volume 0.20561E-02 ppm1 0.920 ppm2 9.083 CV 1 ASSI { 36} ( segid " A" and resid 158 and name HG1%) (( segid " A" and resid 114 and name HN )) 6.000 4.500 0.000 peak 36 spectrum 1 weight 0.10000E+01 volume 0.58288E-03 ppm1 0.135 ppm2 9.088 CV 1 ASSI { 37} ( segid " A" and resid 114 and name HG1%) (( segid " A" and resid 114 and name HN )) 6.000 4.500 0.000 peak 37 spectrum 1 weight 0.10000E+01 volume 0.39911E-02 ppm1 0.886 ppm2 9.082 CV 1 ASSI { 38} (( segid " A" and resid 159 and name HA )) (( segid " A" and resid 114 and name HN )) 6.000 4.500 0.000 peak 38 spectrum 1 weight 0.10000E+01 volume 0.63866E-03 ppm1 5.012 ppm2 9.065 CV 1 ASSI { 40} ( segid " A" and resid 166 and name HB% ) (( segid " A" and resid 114 and name HN )) 6.000 4.500 0.000 peak 40 spectrum 1 weight 0.10000E+01 volume 0.63282E-03 ppm1 1.454 ppm2 9.057 CV 1 ASSI { 41} (( segid " A" and resid 283 and name HA1 )) (( segid " A" and resid 283 and name HN )) 6.000 4.500 0.000 peak 41 spectrum 1 weight 0.10000E+01 volume 0.67995E-03 ppm1 4.574 ppm2 9.035 CV 1 ASSI { 42} (( segid " A" and resid 283 and name HA2 )) (( segid " A" and resid 283 and name HN )) 6.000 4.500 0.000 peak 42 spectrum 1 weight 0.10000E+01 volume 0.59055E-03 ppm1 4.015 ppm2 9.024 CV 1 ASSI { 43} (( segid " A" and resid 282 and name HA )) (( segid " A" and resid 283 and name HN )) 6.000 4.500 0.000 peak 43 spectrum 1 weight 0.10000E+01 volume 0.18928E-02 ppm1 5.379 ppm2 9.006 CV 1 ASSI { 44} ( segid " A" and resid 168 and name HD2%) (( segid " A" and resid 283 and name HN )) 6.000 4.500 0.000 peak 44 spectrum 1 weight 0.10000E+01 volume 0.12637E-02 ppm1 1.014 ppm2 9.010 CV 1 ASSI { 45} ( segid " A" and resid 168 and name HD1%) (( segid " A" and resid 283 and name HN )) 6.000 4.500 0.000 peak 45 spectrum 1 weight 0.10000E+01 volume 0.19674E-02 ppm1 0.897 ppm2 9.009 CV 1 ASSI { 46} ( segid " A" and resid 282 and name HG1%) (( segid " A" and resid 283 and name HN )) 6.000 4.500 0.000 peak 46 spectrum 1 weight 0.10000E+01 volume 0.46354E-02 ppm1 0.996 ppm2 9.009 CV 1 OR { 46} ( segid " A" and resid 267 and name HG2%) (( segid " A" and resid 283 and name HN )) ASSI { 47} (( segid " A" and resid 160 and name HA )) (( segid " A" and resid 160 and name HN )) 6.000 4.500 0.000 peak 47 spectrum 1 weight 0.10000E+01 volume 0.74190E-03 ppm1 5.115 ppm2 8.951 CV 1 ASSI { 48} (( segid " A" and resid 159 and name HA )) (( segid " A" and resid 160 and name HN )) 6.000 4.500 0.000 peak 48 spectrum 1 weight 0.10000E+01 volume 0.10394E-02 ppm1 5.012 ppm2 8.941 CV 1 ASSI { 49} (( segid " A" and resid 160 and name HB1 )) (( segid " A" and resid 160 and name HN )) 6.000 4.500 0.000 peak 49 spectrum 1 weight 0.10000E+01 volume 0.50094E-03 ppm1 3.118 ppm2 8.949 CV 1 ASSI { 50} (( segid " A" and resid 159 and name HG1 )) (( segid " A" and resid 160 and name HN )) 6.000 4.500 0.000 peak 50 spectrum 1 weight 0.10000E+01 volume 0.79692E-03 ppm1 2.020 ppm2 8.940 CV 1 OR { 50} (( segid " A" and resid 159 and name HG2 )) (( segid " A" and resid 160 and name HN )) ASSI { 51} (( segid " A" and resid 112 and name HB2 )) (( segid " A" and resid 160 and name HN )) 6.000 4.500 0.000 peak 51 spectrum 1 weight 0.10000E+01 volume 0.59964E-03 ppm1 3.050 ppm2 8.945 CV 1 ASSI { 52} ( segid " A" and resid 162 and name HG2%) (( segid " A" and resid 160 and name HN )) 6.000 4.500 0.000 peak 52 spectrum 1 weight 0.10000E+01 volume 0.47110E-03 ppm1 0.772 ppm2 8.944 CV 1 ASSI { 53} ( segid " A" and resid 166 and name HB% ) (( segid " A" and resid 160 and name HN )) 6.000 4.500 0.000 peak 53 spectrum 1 weight 0.10000E+01 volume 0.93378E-03 ppm1 1.457 ppm2 8.940 CV 1 ASSI { 54} (( segid " A" and resid 229 and name HA )) (( segid " A" and resid 230 and name HN )) 6.000 4.500 0.000 peak 54 spectrum 1 weight 0.10000E+01 volume 0.45024E-03 ppm1 4.169 ppm2 8.923 CV 1 OR { 54} (( segid " A" and resid 112 and name HA )) (( segid " A" and resid 160 and name HN )) ASSI { 55} (( segid " A" and resid 213 and name HA )) (( segid " A" and resid 214 and name HN )) 6.000 4.500 0.000 peak 55 spectrum 1 weight 0.10000E+01 volume 0.22539E-02 ppm1 4.586 ppm2 8.924 CV 1 ASSI { 56} (( segid " A" and resid 113 and name HA )) (( segid " A" and resid 160 and name HN )) 6.000 4.500 0.000 peak 56 spectrum 1 weight 0.10000E+01 volume 0.63282E-03 ppm1 5.355 ppm2 8.933 CV 1 ASSI { 57} (( segid " A" and resid 214 and name HA )) (( segid " A" and resid 214 and name HN )) 6.000 4.500 0.000 peak 57 spectrum 1 weight 0.10000E+01 volume 0.70449E-03 ppm1 5.103 ppm2 8.931 CV 1 ASSI { 58} (( segid " A" and resid 213 and name HB )) (( segid " A" and resid 214 and name HN )) 6.000 4.500 0.000 peak 58 spectrum 1 weight 0.10000E+01 volume 0.13123E-02 ppm1 1.218 ppm2 8.925 CV 1 ASSI { 59} ( segid " A" and resid 280 and name HD2%) (( segid " A" and resid 214 and name HN )) 6.000 4.500 0.000 peak 59 spectrum 1 weight 0.10000E+01 volume 0.82935E-03 ppm1 0.874 ppm2 8.934 CV 1 ASSI { 60} ( segid " A" and resid 214 and name HB% ) (( segid " A" and resid 214 and name HN )) 6.000 4.500 0.000 peak 60 spectrum 1 weight 0.10000E+01 volume 0.45078E-02 ppm1 1.272 ppm2 8.924 CV 1 ASSI { 61} ( segid " A" and resid 213 and name HG1%) (( segid " A" and resid 214 and name HN )) 6.000 4.500 0.000 peak 61 spectrum 1 weight 0.10000E+01 volume 0.37079E-02 ppm1 0.341 ppm2 8.925 CV 1 ASSI { 62} ( segid " A" and resid 213 and name HG2%) (( segid " A" and resid 214 and name HN )) 6.000 4.500 0.000 peak 62 spectrum 1 weight 0.10000E+01 volume 0.39738E-02 ppm1 0.405 ppm2 8.924 CV 1 ASSI { 63} ( segid " A" and resid 165 and name HB% ) (( segid " A" and resid 160 and name HN )) 6.000 4.500 0.000 peak 63 spectrum 1 weight 0.10000E+01 volume 0.78016E-03 ppm1 0.651 ppm2 8.931 CV 1 OR { 63} ( segid " A" and resid 165 and name HB% ) (( segid " A" and resid 214 and name HN )) ASSI { 64} (( segid " A" and resid 157 and name HA )) (( segid " A" and resid 158 and name HN )) 6.000 4.500 0.000 peak 64 spectrum 1 weight 0.10000E+01 volume 0.21901E-02 ppm1 5.447 ppm2 8.892 CV 1 ASSI { 65} (( segid " A" and resid 114 and name HB )) (( segid " A" and resid 158 and name HN )) 6.000 4.500 0.000 peak 65 spectrum 1 weight 0.10000E+01 volume 0.59542E-03 ppm1 2.104 ppm2 8.892 CV 1 ASSI { 66} (( segid " A" and resid 158 and name HB )) (( segid " A" and resid 158 and name HN )) 6.000 4.500 0.000 peak 66 spectrum 1 weight 0.10000E+01 volume 0.10394E-02 ppm1 1.431 ppm2 8.891 CV 1 ASSI { 67} ( segid " A" and resid 114 and name HG2%) (( segid " A" and resid 158 and name HN )) 6.000 4.500 0.000 peak 67 spectrum 1 weight 0.10000E+01 volume 0.13545E-02 ppm1 0.921 ppm2 8.903 CV 1 OR { 67} ( segid " A" and resid 123 and name HD1%) (( segid " A" and resid 129 and name HN )) ASSI { 68} ( segid " A" and resid 116 and name HG1%) (( segid " A" and resid 158 and name HN )) 6.000 4.500 0.000 peak 68 spectrum 1 weight 0.10000E+01 volume 0.87962E-03 ppm1 0.291 ppm2 8.884 CV 1 ASSI { 69} ( segid " A" and resid 158 and name HG1%) (( segid " A" and resid 158 and name HN )) 6.000 4.500 0.000 peak 69 spectrum 1 weight 0.10000E+01 volume 0.18431E-02 ppm1 0.131 ppm2 8.892 CV 1 ASSI { 70} ( segid " A" and resid 114 and name HG1%) (( segid " A" and resid 158 and name HN )) 6.000 4.500 0.000 peak 70 spectrum 1 weight 0.10000E+01 volume 0.29674E-02 ppm1 0.885 ppm2 8.895 CV 1 ASSI { 71} ( segid " A" and resid 158 and name HG2%) (( segid " A" and resid 158 and name HN )) 6.000 4.500 0.000 peak 71 spectrum 1 weight 0.10000E+01 volume 0.28063E-02 ppm1 0.030 ppm2 8.887 CV 1 ASSI { 72} ( segid " A" and resid 128 and name HG2%) (( segid " A" and resid 129 and name HN )) 6.000 4.500 0.000 peak 72 spectrum 1 weight 0.10000E+01 volume 0.72125E-03 ppm1 0.537 ppm2 8.884 CV 1 ASSI { 73} ( segid " A" and resid 141 and name HD1%) (( segid " A" and resid 129 and name HN )) 6.000 4.500 0.000 peak 73 spectrum 1 weight 0.10000E+01 volume 0.47175E-03 ppm1 0.751 ppm2 8.903 CV 1 OR { 73} ( segid " A" and resid 138 and name HD1%) (( segid " A" and resid 129 and name HN )) OR { 73} ( segid " A" and resid 141 and name HD1%) (( segid " A" and resid 142 and name HN )) ASSI { 74} (( segid " A" and resid 158 and name HA )) (( segid " A" and resid 158 and name HN )) 6.000 4.500 0.000 peak 74 spectrum 1 weight 0.10000E+01 volume 0.51834E-03 ppm1 4.099 ppm2 8.877 CV 1 ASSI { 75} (( segid " A" and resid 256 and name HA )) (( segid " A" and resid 256 and name HN )) 6.000 4.500 0.000 peak 75 spectrum 1 weight 0.10000E+01 volume 0.74190E-03 ppm1 5.025 ppm2 8.845 CV 1 ASSI { 76} ( segid " A" and resid 235 and name HG2%) (( segid " A" and resid 256 and name HN )) 6.000 4.500 0.000 peak 76 spectrum 1 weight 0.10000E+01 volume 0.13621E-02 ppm1 0.574 ppm2 8.837 CV 1 ASSI { 77} (( segid " A" and resid 255 and name HA )) (( segid " A" and resid 256 and name HN )) 6.000 4.500 0.000 peak 77 spectrum 1 weight 0.10000E+01 volume 0.16021E-02 ppm1 4.551 ppm2 8.827 CV 1 ASSI { 78} (( segid " A" and resid 238 and name HA )) (( segid " A" and resid 256 and name HN )) 6.000 4.500 0.000 peak 78 spectrum 1 weight 0.10000E+01 volume 0.83616E-03 ppm1 4.776 ppm2 8.816 CV 1 ASSI { 79} (( segid " A" and resid 256 and name HB1 )) (( segid " A" and resid 256 and name HN )) 6.000 4.500 0.000 peak 79 spectrum 1 weight 0.10000E+01 volume 0.62104E-03 ppm1 2.166 ppm2 8.813 CV 1 ASSI { 80} (( segid " A" and resid 256 and name HB2 )) (( segid " A" and resid 256 and name HN )) 6.000 4.500 0.000 peak 80 spectrum 1 weight 0.10000E+01 volume 0.65044E-03 ppm1 1.767 ppm2 8.818 CV 1 ASSI { 81} ( segid " A" and resid 255 and name HG2%) (( segid " A" and resid 256 and name HN )) 6.000 4.500 0.000 peak 81 spectrum 1 weight 0.10000E+01 volume 0.33176E-02 ppm1 0.219 ppm2 8.819 CV 1 ASSI { 82} ( segid " A" and resid 235 and name HD1%) (( segid " A" and resid 256 and name HN )) 6.000 4.500 0.000 peak 82 spectrum 1 weight 0.10000E+01 volume 0.54537E-03 ppm1 0.677 ppm2 8.818 CV 1 ASSI { 83} (( segid " A" and resid 254 and name HA )) (( segid " A" and resid 255 and name HN )) 6.000 4.500 0.000 peak 83 spectrum 1 weight 0.10000E+01 volume 0.17847E-02 ppm1 5.730 ppm2 8.775 CV 1 ASSI { 84} (( segid " A" and resid 254 and name HB2 )) (( segid " A" and resid 255 and name HN )) 6.000 4.500 0.000 peak 84 spectrum 1 weight 0.10000E+01 volume 0.42743E-03 ppm1 2.749 ppm2 8.784 CV 1 ASSI { 85} (( segid " A" and resid 255 and name HB )) (( segid " A" and resid 255 and name HN )) 6.000 4.500 0.000 peak 85 spectrum 1 weight 0.10000E+01 volume 0.50861E-03 ppm1 1.229 ppm2 8.780 CV 1 ASSI { 86} (( segid " A" and resid 213 and name HB )) (( segid " A" and resid 253 and name HN )) 6.000 4.500 0.000 peak 86 spectrum 1 weight 0.10000E+01 volume 0.73011E-03 ppm1 1.215 ppm2 8.779 CV 1 OR { 86} (( segid " A" and resid 213 and name HB )) (( segid " A" and resid 255 and name HN )) ASSI { 87} (( segid " A" and resid 255 and name HG11)) (( segid " A" and resid 255 and name HN )) 6.000 4.500 0.000 peak 87 spectrum 1 weight 0.10000E+01 volume 0.57877E-03 ppm1 1.065 ppm2 8.778 CV 1 ASSI { 88} ( segid " A" and resid 241 and name HB% ) (( segid " A" and resid 253 and name HN )) 6.000 4.500 0.000 peak 88 spectrum 1 weight 0.10000E+01 volume 0.64558E-03 ppm1 0.781 ppm2 8.774 CV 1 OR { 88} ( segid " A" and resid 162 and name HG2%) (( segid " A" and resid 138 and name HN )) ASSI { 89} ( segid " A" and resid 255 and name HD1%) (( segid " A" and resid 255 and name HN )) 6.000 4.500 0.000 peak 89 spectrum 1 weight 0.10000E+01 volume 0.14518E-02 ppm1 -0.126 ppm2 8.788 CV 1 ASSI { 90} (( segid " A" and resid 212 and name HA )) (( segid " A" and resid 255 and name HN )) 6.000 4.500 0.000 peak 90 spectrum 1 weight 0.10000E+01 volume 0.58915E-03 ppm1 4.708 ppm2 8.752 CV 1 OR { 90} (( segid " A" and resid 212 and name HA )) (( segid " A" and resid 253 and name HN )) ASSI { 91} (( segid " A" and resid 252 and name HA )) (( segid " A" and resid 253 and name HN )) 6.000 4.500 0.000 peak 91 spectrum 1 weight 0.10000E+01 volume 0.10728E-02 ppm1 5.612 ppm2 8.764 CV 1 ASSI { 92} (( segid " A" and resid 214 and name HA )) (( segid " A" and resid 253 and name HN )) 6.000 4.500 0.000 peak 92 spectrum 1 weight 0.10000E+01 volume 0.79487E-03 ppm1 5.099 ppm2 8.762 CV 1 ASSI { 94} (( segid " A" and resid 252 and name HB1 )) (( segid " A" and resid 253 and name HN )) 6.000 4.500 0.000 peak 94 spectrum 1 weight 0.10000E+01 volume 0.45024E-03 ppm1 2.744 ppm2 8.755 CV 1 ASSI { 95} ( segid " A" and resid 214 and name HB% ) (( segid " A" and resid 253 and name HN )) 6.000 4.500 0.000 peak 95 spectrum 1 weight 0.10000E+01 volume 0.13934E-02 ppm1 1.274 ppm2 8.766 CV 1 ASSI { 96} ( segid " A" and resid 240 and name HD2%) (( segid " A" and resid 253 and name HN )) 6.000 4.500 0.000 peak 96 spectrum 1 weight 0.10000E+01 volume 0.16075E-02 ppm1 0.083 ppm2 8.764 CV 1 ASSI { 97} ( segid " A" and resid 213 and name HG1%) (( segid " A" and resid 253 and name HN )) 6.000 4.500 0.000 peak 97 spectrum 1 weight 0.10000E+01 volume 0.24842E-02 ppm1 0.341 ppm2 8.770 CV 1 ASSI { 98} ( segid " A" and resid 213 and name HG2%) (( segid " A" and resid 253 and name HN )) 6.000 4.500 0.000 peak 98 spectrum 1 weight 0.10000E+01 volume 0.25977E-02 ppm1 0.404 ppm2 8.767 CV 1 ASSI { 99} ( segid " A" and resid 211 and name HG2%) (( segid " A" and resid 255 and name HN )) 6.000 4.500 0.000 peak 99 spectrum 1 weight 0.10000E+01 volume 0.69768E-03 ppm1 0.959 ppm2 8.769 CV 1 ASSI { 100} ( segid " A" and resid 211 and name HD1%) (( segid " A" and resid 257 and name HH )) 6.000 4.500 0.000 peak 100 spectrum 1 weight 0.10000E+01 volume 0.87270E-03 ppm1 0.736 ppm2 8.773 CV 1 ASSI { 101} (( segid " A" and resid 271 and name HA )) (( segid " A" and resid 282 and name HN )) 6.000 4.500 0.000 peak 101 spectrum 1 weight 0.10000E+01 volume 0.66817E-03 ppm1 4.465 ppm2 8.694 CV 1 ASSI { 102} ( segid " A" and resid 168 and name HD1%) (( segid " A" and resid 282 and name HN )) 6.000 4.500 0.000 peak 102 spectrum 1 weight 0.10000E+01 volume 0.65833E-03 ppm1 0.893 ppm2 8.699 CV 1 ASSI { 103} (( segid " A" and resid 281 and name HA )) (( segid " A" and resid 282 and name HN )) 6.000 4.500 0.000 peak 103 spectrum 1 weight 0.10000E+01 volume 0.61315E-03 ppm1 5.277 ppm2 8.673 CV 1 ASSI { 104} ( segid " A" and resid 282 and name HG1%) (( segid " A" and resid 282 and name HN )) 6.000 4.500 0.000 peak 104 spectrum 1 weight 0.10000E+01 volume 0.13696E-02 ppm1 0.975 ppm2 8.690 CV 1 ASSI { 105} (( segid " A" and resid 158 and name HA )) (( segid " A" and resid 159 and name HN )) 6.000 4.500 0.000 peak 105 spectrum 1 weight 0.10000E+01 volume 0.19091E-02 ppm1 4.088 ppm2 8.649 CV 1 ASSI { 106} (( segid " A" and resid 141 and name HA )) (( segid " A" and resid 159 and name HN )) 6.000 4.500 0.000 peak 106 spectrum 1 weight 0.10000E+01 volume 0.68482E-03 ppm1 4.565 ppm2 8.643 CV 1 ASSI { 107} (( segid " A" and resid 159 and name HG1 )) (( segid " A" and resid 159 and name HN )) 6.000 4.500 0.000 peak 107 spectrum 1 weight 0.10000E+01 volume 0.57877E-03 ppm1 2.001 ppm2 8.642 CV 1 OR { 107} (( segid " A" and resid 159 and name HG2 )) (( segid " A" and resid 159 and name HN )) ASSI { 108} (( segid " A" and resid 159 and name HB2 )) (( segid " A" and resid 159 and name HN )) 6.000 4.500 0.000 peak 108 spectrum 1 weight 0.10000E+01 volume 0.71725E-03 ppm1 2.038 ppm2 8.650 CV 1 ASSI { 109} (( segid " A" and resid 159 and name HB1 )) (( segid " A" and resid 159 and name HN )) 6.000 4.500 0.000 peak 109 spectrum 1 weight 0.10000E+01 volume 0.57596E-03 ppm1 1.673 ppm2 8.645 CV 1 ASSI { 110} ( segid " A" and resid 158 and name HG1%) (( segid " A" and resid 159 and name HN )) 6.000 4.500 0.000 peak 110 spectrum 1 weight 0.10000E+01 volume 0.29166E-02 ppm1 0.131 ppm2 8.643 CV 1 ASSI { 111} ( segid " A" and resid 114 and name HG1%) (( segid " A" and resid 159 and name HN )) 6.000 4.500 0.000 peak 111 spectrum 1 weight 0.10000E+01 volume 0.56969E-03 ppm1 0.886 ppm2 8.648 CV 1 ASSI { 112} ( segid " A" and resid 158 and name HG2%) (( segid " A" and resid 159 and name HN )) 6.000 4.500 0.000 peak 112 spectrum 1 weight 0.10000E+01 volume 0.16885E-02 ppm1 0.031 ppm2 8.645 CV 1 ASSI { 113} ( segid " A" and resid 138 and name HG2%) (( segid " A" and resid 159 and name HN )) 6.000 4.500 0.000 peak 113 spectrum 1 weight 0.10000E+01 volume 0.14323E-02 ppm1 0.533 ppm2 8.647 CV 1 ASSI { 114} ( segid " A" and resid 133 and name HB% ) (( segid " A" and resid 133 and name HN )) 6.000 4.500 0.000 peak 114 spectrum 1 weight 0.10000E+01 volume 0.25036E-02 ppm1 1.608 ppm2 8.638 CV 1 ASSI { 115} ( segid " A" and resid 138 and name HD1%) (( segid " A" and resid 133 and name HN )) 6.000 4.500 0.000 peak 115 spectrum 1 weight 0.10000E+01 volume 0.12183E-02 ppm1 0.759 ppm2 8.644 CV 1 OR { 115} ( segid " A" and resid 141 and name HD1%) (( segid " A" and resid 159 and name HN )) OR { 115} ( segid " A" and resid 138 and name HD1%) (( segid " A" and resid 159 and name HN )) ASSI { 116} ( segid " A" and resid 141 and name HG2%) (( segid " A" and resid 159 and name HN )) 6.000 4.500 0.000 peak 116 spectrum 1 weight 0.10000E+01 volume 0.71628E-03 ppm1 0.596 ppm2 8.634 CV 1 ASSI { 117} (( segid " A" and resid 225 and name HB )) (( segid " A" and resid 226 and name HN )) 6.000 4.500 0.000 peak 117 spectrum 1 weight 0.10000E+01 volume 0.62980E-03 ppm1 1.832 ppm2 8.388 CV 1 ASSI { 118} (( segid " A" and resid 226 and name HE2 )) (( segid " A" and resid 226 and name HN )) 6.000 4.500 0.000 peak 118 spectrum 1 weight 0.10000E+01 volume 0.48840E-03 ppm1 2.840 ppm2 8.349 CV 1 OR { 118} (( segid " A" and resid 226 and name HE1 )) (( segid " A" and resid 226 and name HN )) OR { 118} (( segid " A" and resid 226 and name HE1 )) (( segid " A" and resid 229 and name HN )) ASSI { 119} ( segid " A" and resid 116 and name HG2%) (( segid " A" and resid 116 and name HN )) 6.000 4.500 0.000 peak 119 spectrum 1 weight 0.10000E+01 volume 0.58223E-03 ppm1 0.714 ppm2 8.363 CV 1 ASSI { 120} ( segid " A" and resid 116 and name HG1%) (( segid " A" and resid 116 and name HN )) 6.000 4.500 0.000 peak 120 spectrum 1 weight 0.10000E+01 volume 0.10311E-02 ppm1 0.288 ppm2 8.357 CV 1 ASSI { 121} (( segid " A" and resid 229 and name HA )) (( segid " A" and resid 229 and name HN )) 6.000 4.500 0.000 peak 121 spectrum 1 weight 0.10000E+01 volume 0.14172E-02 ppm1 4.166 ppm2 8.319 CV 1 ASSI { 122} (( segid " A" and resid 229 and name HB1 )) (( segid " A" and resid 229 and name HN )) 6.000 4.500 0.000 peak 122 spectrum 1 weight 0.10000E+01 volume 0.71141E-03 ppm1 3.463 ppm2 8.315 CV 1 ASSI { 123} (( segid " A" and resid 229 and name HB2 )) (( segid " A" and resid 229 and name HN )) 6.000 4.500 0.000 peak 123 spectrum 1 weight 0.10000E+01 volume 0.39695E-03 ppm1 2.798 ppm2 8.322 CV 1 ASSI { 124} (( segid " A" and resid 228 and name HB )) (( segid " A" and resid 229 and name HN )) 6.000 4.500 0.000 peak 124 spectrum 1 weight 0.10000E+01 volume 0.10158E-02 ppm1 2.074 ppm2 8.321 CV 1 ASSI { 125} ( segid " A" and resid 228 and name HG1%) (( segid " A" and resid 229 and name HN )) 6.000 4.500 0.000 peak 125 spectrum 1 weight 0.10000E+01 volume 0.21923E-02 ppm1 0.983 ppm2 8.319 CV 1 ASSI { 126} ( segid " A" and resid 228 and name HG2%) (( segid " A" and resid 229 and name HN )) 6.000 4.500 0.000 peak 126 spectrum 1 weight 0.10000E+01 volume 0.17015E-02 ppm1 0.473 ppm2 8.320 CV 1 ASSI { 127} ( segid " A" and resid 266 and name HB% ) (( segid " A" and resid 265 and name HN )) 6.000 4.500 0.000 peak 127 spectrum 1 weight 0.10000E+01 volume 0.58569E-03 ppm1 1.246 ppm2 8.320 CV 1 ASSI { 128} ( segid " A" and resid 225 and name HG2%) (( segid " A" and resid 229 and name HN )) 6.000 4.500 0.000 peak 128 spectrum 1 weight 0.10000E+01 volume 0.19285E-02 ppm1 0.615 ppm2 8.326 CV 1 ASSI { 129} ( segid " A" and resid 255 and name HG2%) (( segid " A" and resid 229 and name HN )) 6.000 4.500 0.000 peak 129 spectrum 1 weight 0.10000E+01 volume 0.59964E-03 ppm1 0.216 ppm2 8.323 CV 1 ASSI { 130} ( segid " A" and resid 211 and name HD1%) (( segid " A" and resid 265 and name HN )) 6.000 4.500 0.000 peak 130 spectrum 1 weight 0.10000E+01 volume 0.47175E-03 ppm1 0.735 ppm2 8.313 CV 1 OR { 130} ( segid " A" and resid 211 and name HD1%) (( segid " A" and resid 229 and name HN )) ASSI { 131} ( segid " A" and resid 270 and name HE% ) (( segid " A" and resid 229 and name HN )) 6.000 4.500 0.000 peak 131 spectrum 1 weight 0.10000E+01 volume 0.51553E-03 ppm1 0.183 ppm2 8.314 CV 1 ASSI { 132} ( segid " A" and resid 235 and name HD1%) (( segid " A" and resid 229 and name HN )) 6.000 4.500 0.000 peak 132 spectrum 1 weight 0.10000E+01 volume 0.14442E-02 ppm1 0.678 ppm2 8.319 CV 1 ASSI { 133} ( segid " A" and resid 255 and name HD1%) (( segid " A" and resid 229 and name HN )) 6.000 4.500 0.000 peak 133 spectrum 1 weight 0.10000E+01 volume 0.14464E-02 ppm1 -0.127 ppm2 8.321 CV 1 ASSI { 134} ( segid " A" and resid 225 and name HD1%) (( segid " A" and resid 229 and name HN )) 6.000 4.500 0.000 peak 134 spectrum 1 weight 0.10000E+01 volume 0.46548E-03 ppm1 0.634 ppm2 8.312 CV 1 ASSI { 135} (( segid " A" and resid 216 and name HA )) (( segid " A" and resid 216 and name HN )) 6.000 4.500 0.000 peak 135 spectrum 1 weight 0.10000E+01 volume 0.47521E-03 ppm1 3.440 ppm2 8.101 CV 1 ASSI { 136} (( segid " A" and resid 215 and name HA )) (( segid " A" and resid 216 and name HN )) 6.000 4.500 0.000 peak 136 spectrum 1 weight 0.10000E+01 volume 0.90599E-03 ppm1 3.845 ppm2 8.099 CV 1 ASSI { 137} (( segid " A" and resid 131 and name HA )) (( segid " A" and resid 132 and name HN )) 6.000 4.500 0.000 peak 137 spectrum 1 weight 0.10000E+01 volume 0.67606E-03 ppm1 4.196 ppm2 8.094 CV 1 ASSI { 138} (( segid " A" and resid 132 and name HB2 )) (( segid " A" and resid 132 and name HN )) 6.000 4.500 0.000 peak 138 spectrum 1 weight 0.10000E+01 volume 0.49889E-03 ppm1 3.519 ppm2 8.094 CV 1 ASSI { 139} (( segid " A" and resid 216 and name HB )) (( segid " A" and resid 216 and name HN )) 6.000 4.500 0.000 peak 139 spectrum 1 weight 0.10000E+01 volume 0.42938E-03 ppm1 1.295 ppm2 8.102 CV 1 ASSI { 140} ( segid " A" and resid 216 and name HG1%) (( segid " A" and resid 216 and name HN )) 6.000 4.500 0.000 peak 140 spectrum 1 weight 0.10000E+01 volume 0.10983E-02 ppm1 0.672 ppm2 8.107 CV 1 ASSI { 141} ( segid " A" and resid 216 and name HG2%) (( segid " A" and resid 216 and name HN )) 6.000 4.500 0.000 peak 141 spectrum 1 weight 0.10000E+01 volume 0.23404E-02 ppm1 0.374 ppm2 8.097 CV 1 ASSI { 142} ( segid " A" and resid 158 and name HG1%) (( segid " A" and resid 132 and name HN )) 6.000 4.500 0.000 peak 142 spectrum 1 weight 0.10000E+01 volume 0.64169E-03 ppm1 0.130 ppm2 8.093 CV 1 ASSI { 143} ( segid " A" and resid 138 and name HD1%) (( segid " A" and resid 132 and name HN )) 6.000 4.500 0.000 peak 143 spectrum 1 weight 0.10000E+01 volume 0.13091E-02 ppm1 0.759 ppm2 8.093 CV 1 ASSI { 144} (( segid " A" and resid 132 and name HA )) (( segid " A" and resid 132 and name HN )) 6.000 4.500 0.000 peak 144 spectrum 1 weight 0.10000E+01 volume 0.91161E-03 ppm1 4.748 ppm2 8.076 CV 1 ASSI { 145} (( segid " A" and resid 132 and name HB1 )) (( segid " A" and resid 132 and name HN )) 6.000 4.500 0.000 peak 145 spectrum 1 weight 0.10000E+01 volume 0.74676E-03 ppm1 2.847 ppm2 8.083 CV 1 ASSI { 146} ( segid " A" and resid 158 and name HG2%) (( segid " A" and resid 132 and name HN )) 6.000 4.500 0.000 peak 146 spectrum 1 weight 0.10000E+01 volume 0.56623E-03 ppm1 0.032 ppm2 8.086 CV 1 ASSI { 147} ( segid " A" and resid 131 and name HB% ) (( segid " A" and resid 132 and name HN )) 6.000 4.500 0.000 peak 147 spectrum 1 weight 0.10000E+01 volume 0.31014E-02 ppm1 1.445 ppm2 8.087 CV 1 ASSI { 148} ( segid " A" and resid 128 and name HG2%) (( segid " A" and resid 132 and name HN )) 6.000 4.500 0.000 peak 148 spectrum 1 weight 0.10000E+01 volume 0.11599E-02 ppm1 0.536 ppm2 8.077 CV 1 ASSI { 149} ( segid " A" and resid 133 and name HB% ) (( segid " A" and resid 132 and name HN )) 6.000 4.500 0.000 peak 149 spectrum 1 weight 0.10000E+01 volume 0.11772E-02 ppm1 1.606 ppm2 8.079 CV 1 ASSI { 150} ( segid " A" and resid 173 and name HE% ) (( segid " A" and resid 173 and name HN )) 6.000 4.500 0.000 peak 150 spectrum 1 weight 0.10000E+01 volume 0.93940E-03 ppm1 1.387 ppm2 8.080 CV 1 OR { 150} ( segid " A" and resid 173 and name HE% ) (( segid " A" and resid 132 and name HN )) ASSI { 151} (( segid " A" and resid 170 and name HA )) (( segid " A" and resid 170 and name HN )) 6.000 4.500 0.000 peak 151 spectrum 1 weight 0.10000E+01 volume 0.14507E-02 ppm1 3.739 ppm2 7.989 CV 1 ASSI { 152} (( segid " A" and resid 170 and name HB2 )) (( segid " A" and resid 170 and name HN )) 6.000 4.500 0.000 peak 152 spectrum 1 weight 0.10000E+01 volume 0.25350E-02 ppm1 1.774 ppm2 7.994 CV 1 ASSI { 153} (( segid " A" and resid 170 and name HB1 )) (( segid " A" and resid 170 and name HN )) 6.000 4.500 0.000 peak 153 spectrum 1 weight 0.10000E+01 volume 0.22766E-02 ppm1 1.581 ppm2 7.998 CV 1 ASSI { 154} (( segid " A" and resid 170 and name HG )) (( segid " A" and resid 170 and name HN )) 6.000 4.500 0.000 peak 154 spectrum 1 weight 0.10000E+01 volume 0.29630E-02 ppm1 1.704 ppm2 7.995 CV 1 ASSI { 155} ( segid " A" and resid 170 and name HD2%) (( segid " A" and resid 170 and name HN )) 6.000 4.500 0.000 peak 155 spectrum 1 weight 0.10000E+01 volume 0.30657E-02 ppm1 0.785 ppm2 7.990 CV 1 ASSI { 156} ( segid " A" and resid 114 and name HG2%) (( segid " A" and resid 170 and name HN )) 6.000 4.500 0.000 peak 156 spectrum 1 weight 0.10000E+01 volume 0.25079E-02 ppm1 0.920 ppm2 7.984 CV 1 ASSI { 157} (( segid " A" and resid 169 and name HA )) (( segid " A" and resid 170 and name HN )) 6.000 4.500 0.000 peak 157 spectrum 1 weight 0.10000E+01 volume 0.57596E-03 ppm1 2.396 ppm2 7.975 CV 1 OR { 157} (( segid " A" and resid 169 and name HA )) ( segid " A" and resid 132 and name HD% ) ASSI { 158} (( segid " A" and resid 132 and name HB2 )) ( segid " A" and resid 132 and name HD% ) 6.000 4.500 0.000 peak 158 spectrum 1 weight 0.10000E+01 volume 0.54396E-03 ppm1 3.530 ppm2 7.961 CV 1 ASSI { 159} ( segid " A" and resid 170 and name HD1%) (( segid " A" and resid 170 and name HN )) 6.000 4.500 0.000 peak 159 spectrum 1 weight 0.10000E+01 volume 0.37576E-02 ppm1 0.805 ppm2 7.980 CV 1 ASSI { 160} ( segid " A" and resid 185 and name HG1%) ( segid " A" and resid 132 and name HD% ) 6.000 4.500 0.000 peak 160 spectrum 1 weight 0.10000E+01 volume 0.29793E-02 ppm1 0.989 ppm2 7.970 CV 1 OR { 160} ( segid " A" and resid 185 and name HG1%) (( segid " A" and resid 184 and name HN )) ASSI { 161} ( segid " A" and resid 116 and name HG1%) ( segid " A" and resid 132 and name HD% ) 6.000 4.500 0.000 peak 161 spectrum 1 weight 0.10000E+01 volume 0.76741E-03 ppm1 0.294 ppm2 7.956 CV 1 ASSI { 162} ( segid " A" and resid 114 and name HG1%) ( segid " A" and resid 132 and name HD% ) 6.000 4.500 0.000 peak 162 spectrum 1 weight 0.10000E+01 volume 0.20896E-02 ppm1 0.885 ppm2 7.964 CV 1 ASSI { 163} ( segid " A" and resid 169 and name HB% ) (( segid " A" and resid 170 and name HN )) 6.000 4.500 0.000 peak 163 spectrum 1 weight 0.10000E+01 volume 0.53921E-02 ppm1 1.344 ppm2 7.973 CV 1 ASSI { 164} ( segid " A" and resid 133 and name HB% ) ( segid " A" and resid 132 and name HD% ) 6.000 4.500 0.000 peak 164 spectrum 1 weight 0.10000E+01 volume 0.82146E-03 ppm1 1.607 ppm2 7.974 CV 1 ASSI { 165} ( segid " A" and resid 138 and name HD1%) ( segid " A" and resid 132 and name HD% ) 6.000 4.500 0.000 peak 165 spectrum 1 weight 0.10000E+01 volume 0.14518E-02 ppm1 0.760 ppm2 7.956 CV 1 OR { 165} ( segid " A" and resid 141 and name HD1%) ( segid " A" and resid 132 and name HD% ) ASSI { 166} (( segid " A" and resid 128 and name HA )) ( segid " A" and resid 132 and name HD% ) 6.000 4.500 0.000 peak 166 spectrum 1 weight 0.10000E+01 volume 0.84016E-03 ppm1 3.719 ppm2 7.949 CV 1 OR { 166} (( segid " A" and resid 128 and name HA )) (( segid " A" and resid 130 and name HN )) ASSI { 167} (( segid " A" and resid 132 and name HA )) ( segid " A" and resid 132 and name HD% ) 6.000 4.500 0.000 peak 167 spectrum 1 weight 0.10000E+01 volume 0.10728E-02 ppm1 4.734 ppm2 7.949 CV 1 ASSI { 168} (( segid " A" and resid 132 and name HB1 )) ( segid " A" and resid 132 and name HD% ) 6.000 4.500 0.000 peak 168 spectrum 1 weight 0.10000E+01 volume 0.52105E-03 ppm1 2.840 ppm2 7.947 CV 1 ASSI { 169} ( segid " A" and resid 116 and name HG2%) (( segid " A" and resid 184 and name HN )) 6.000 4.500 0.000 peak 169 spectrum 1 weight 0.10000E+01 volume 0.72514E-03 ppm1 0.716 ppm2 7.946 CV 1 OR { 169} ( segid " A" and resid 116 and name HG2%) ( segid " A" and resid 132 and name HD% ) ASSI { 170} ( segid " A" and resid 158 and name HG1%) ( segid " A" and resid 132 and name HD% ) 6.000 4.500 0.000 peak 170 spectrum 1 weight 0.10000E+01 volume 0.16464E-02 ppm1 0.130 ppm2 7.948 CV 1 ASSI { 171} ( segid " A" and resid 158 and name HG2%) ( segid " A" and resid 132 and name HD% ) 6.000 4.500 0.000 peak 171 spectrum 1 weight 0.10000E+01 volume 0.12086E-02 ppm1 0.031 ppm2 7.946 CV 1 ASSI { 172} ( segid " A" and resid 131 and name HB% ) ( segid " A" and resid 132 and name HD% ) 6.000 4.500 0.000 peak 172 spectrum 1 weight 0.10000E+01 volume 0.47964E-02 ppm1 1.445 ppm2 7.952 CV 1 ASSI { 173} ( segid " A" and resid 128 and name HG2%) ( segid " A" and resid 132 and name HD% ) 6.000 4.500 0.000 peak 173 spectrum 1 weight 0.10000E+01 volume 0.38019E-02 ppm1 0.535 ppm2 7.950 CV 1 ASSI { 174} ( segid " A" and resid 173 and name HE% ) ( segid " A" and resid 132 and name HD% ) 6.000 4.500 0.000 peak 174 spectrum 1 weight 0.10000E+01 volume 0.18983E-02 ppm1 1.387 ppm2 7.952 CV 1 ASSI { 175} ( segid " A" and resid 183 and name HD1%) (( segid " A" and resid 184 and name HN )) 6.000 4.500 0.000 peak 175 spectrum 1 weight 0.10000E+01 volume 0.61899E-03 ppm1 0.872 ppm2 7.948 CV 1 ASSI { 176} ( segid " A" and resid 128 and name HD1%) ( segid " A" and resid 132 and name HD% ) 6.000 4.500 0.000 peak 176 spectrum 1 weight 0.10000E+01 volume 0.10185E-02 ppm1 0.483 ppm2 7.943 CV 1 OR { 176} ( segid " A" and resid 128 and name HD1%) (( segid " A" and resid 130 and name HN )) ASSI { 177} (( segid " A" and resid 239 and name HB )) (( segid " A" and resid 254 and name HN )) 6.000 4.500 0.000 peak 177 spectrum 1 weight 0.10000E+01 volume 0.72611E-03 ppm1 3.922 ppm2 7.802 CV 1 ASSI { 178} (( segid " A" and resid 240 and name HA )) (( segid " A" and resid 254 and name HN )) 6.000 4.500 0.000 peak 178 spectrum 1 weight 0.10000E+01 volume 0.64255E-03 ppm1 4.572 ppm2 7.796 CV 1 ASSI { 179} (( segid " A" and resid 254 and name HB1 )) (( segid " A" and resid 254 and name HN )) 6.000 4.500 0.000 peak 179 spectrum 1 weight 0.10000E+01 volume 0.48494E-03 ppm1 2.750 ppm2 7.792 CV 1 ASSI { 180} ( segid " A" and resid 239 and name HG2%) (( segid " A" and resid 254 and name HN )) 6.000 4.500 0.000 peak 180 spectrum 1 weight 0.10000E+01 volume 0.95183E-03 ppm1 1.166 ppm2 7.800 CV 1 ASSI { 181} ( segid " A" and resid 240 and name HD2%) (( segid " A" and resid 254 and name HN )) 6.000 4.500 0.000 peak 181 spectrum 1 weight 0.10000E+01 volume 0.14756E-02 ppm1 0.082 ppm2 7.802 CV 1 ASSI { 182} (( segid " A" and resid 215 and name HB1 )) (( segid " A" and resid 281 and name HN )) 6.000 4.500 0.000 peak 182 spectrum 1 weight 0.10000E+01 volume 0.74579E-03 ppm1 4.441 ppm2 7.772 CV 1 ASSI { 183} (( segid " A" and resid 254 and name HA )) (( segid " A" and resid 254 and name HN )) 6.000 4.500 0.000 peak 183 spectrum 1 weight 0.10000E+01 volume 0.66720E-03 ppm1 5.736 ppm2 7.786 CV 1 ASSI { 184} (( segid " A" and resid 280 and name HA )) (( segid " A" and resid 281 and name HN )) 6.000 4.500 0.000 peak 184 spectrum 1 weight 0.10000E+01 volume 0.10714E-02 ppm1 4.481 ppm2 7.779 CV 1 ASSI { 185} (( segid " A" and resid 219 and name HB2 )) (( segid " A" and resid 217 and name HE1 )) 6.000 4.500 0.000 peak 185 spectrum 1 weight 0.10000E+01 volume 0.57185E-03 ppm1 2.872 ppm2 7.777 CV 1 ASSI { 186} (( segid " A" and resid 219 and name HB1 )) (( segid " A" and resid 217 and name HE1 )) 6.000 4.500 0.000 peak 186 spectrum 1 weight 0.10000E+01 volume 0.73595E-03 ppm1 2.728 ppm2 7.765 CV 1 ASSI { 187} (( segid " A" and resid 218 and name HG1 )) (( segid " A" and resid 217 and name HE1 )) 6.000 4.500 0.000 peak 187 spectrum 1 weight 0.10000E+01 volume 0.10574E-02 ppm1 2.208 ppm2 7.769 CV 1 ASSI { 188} (( segid " A" and resid 218 and name HG2 )) (( segid " A" and resid 217 and name HE1 )) 6.000 4.500 0.000 peak 188 spectrum 1 weight 0.10000E+01 volume 0.10047E-02 ppm1 2.104 ppm2 7.769 CV 1 ASSI { 189} ( segid " A" and resid 280 and name HD2%) (( segid " A" and resid 281 and name HN )) 6.000 4.500 0.000 peak 189 spectrum 1 weight 0.10000E+01 volume 0.24485E-02 ppm1 0.870 ppm2 7.773 CV 1 ASSI { 190} ( segid " A" and resid 272 and name HD2%) (( segid " A" and resid 270 and name HN )) 6.000 4.500 0.000 peak 190 spectrum 1 weight 0.10000E+01 volume 0.63866E-03 ppm1 0.698 ppm2 7.775 CV 1 ASSI { 191} ( segid " A" and resid 213 and name HG2%) (( segid " A" and resid 281 and name HN )) 6.000 4.500 0.000 peak 191 spectrum 1 weight 0.10000E+01 volume 0.15253E-02 ppm1 0.404 ppm2 7.763 CV 1 ASSI { 192} (( segid " A" and resid 215 and name HB2 )) (( segid " A" and resid 281 and name HN )) 6.000 4.500 0.000 peak 192 spectrum 1 weight 0.10000E+01 volume 0.88935E-03 ppm1 4.191 ppm2 7.745 CV 1 ASSI { 193} (( segid " A" and resid 281 and name HA )) (( segid " A" and resid 281 and name HN )) 6.000 4.500 0.000 peak 193 spectrum 1 weight 0.10000E+01 volume 0.46689E-03 ppm1 5.271 ppm2 7.754 CV 1 ASSI { 194} ( segid " A" and resid 214 and name HB% ) (( segid " A" and resid 281 and name HN )) 6.000 4.500 0.000 peak 194 spectrum 1 weight 0.10000E+01 volume 0.17977E-02 ppm1 1.271 ppm2 7.737 CV 1 ASSI { 195} (( segid " A" and resid 135 and name HA )) (( segid " A" and resid 136 and name HN )) 6.000 4.500 0.000 peak 195 spectrum 1 weight 0.10000E+01 volume 0.58083E-03 ppm1 3.876 ppm2 7.733 CV 1 ASSI { 196} (( segid " A" and resid 169 and name HA )) (( segid " A" and resid 169 and name HN )) 6.000 4.500 0.000 peak 196 spectrum 1 weight 0.10000E+01 volume 0.12475E-02 ppm1 2.396 ppm2 7.708 CV 1 ASSI { 197} (( segid " A" and resid 165 and name HA )) (( segid " A" and resid 169 and name HN )) 6.000 4.500 0.000 peak 197 spectrum 1 weight 0.10000E+01 volume 0.85735E-03 ppm1 3.631 ppm2 7.725 CV 1 OR { 197} (( segid " A" and resid 166 and name HA )) (( segid " A" and resid 169 and name HN )) ASSI { 198} (( segid " A" and resid 168 and name HB1 )) (( segid " A" and resid 169 and name HN )) 6.000 4.500 0.000 peak 198 spectrum 1 weight 0.10000E+01 volume 0.66817E-03 ppm1 1.521 ppm2 7.710 CV 1 ASSI { 199} ( segid " A" and resid 168 and name HD2%) (( segid " A" and resid 169 and name HN )) 6.000 4.500 0.000 peak 199 spectrum 1 weight 0.10000E+01 volume 0.13859E-02 ppm1 1.015 ppm2 7.719 CV 1 ASSI { 200} ( segid " A" and resid 170 and name HD2%) (( segid " A" and resid 169 and name HN )) 6.000 4.500 0.000 peak 200 spectrum 1 weight 0.10000E+01 volume 0.78806E-03 ppm1 0.808 ppm2 7.711 CV 1 OR { 200} ( segid " A" and resid 170 and name HD1%) (( segid " A" and resid 169 and name HN )) ASSI { 201} ( segid " A" and resid 168 and name HD1%) (( segid " A" and resid 169 and name HN )) 6.000 4.500 0.000 peak 201 spectrum 1 weight 0.10000E+01 volume 0.17512E-02 ppm1 0.895 ppm2 7.717 CV 1 ASSI { 202} ( segid " A" and resid 114 and name HG2%) (( segid " A" and resid 169 and name HN )) 6.000 4.500 0.000 peak 202 spectrum 1 weight 0.10000E+01 volume 0.11351E-02 ppm1 0.920 ppm2 7.714 CV 1 ASSI { 203} ( segid " A" and resid 165 and name HB% ) (( segid " A" and resid 136 and name HN )) 6.000 4.500 0.000 peak 203 spectrum 1 weight 0.10000E+01 volume 0.10325E-02 ppm1 0.646 ppm2 7.713 CV 1 ASSI { 204} ( segid " A" and resid 166 and name HB% ) (( segid " A" and resid 169 and name HN )) 6.000 4.500 0.000 peak 204 spectrum 1 weight 0.10000E+01 volume 0.96858E-03 ppm1 1.463 ppm2 7.709 CV 1 ASSI { 205} ( segid " A" and resid 133 and name HB% ) (( segid " A" and resid 131 and name HN )) 6.000 4.500 0.000 peak 205 spectrum 1 weight 0.10000E+01 volume 0.68093E-03 ppm1 1.611 ppm2 7.723 CV 1 ASSI { 206} (( segid " A" and resid 225 and name HA )) ( segid " A" and resid 229 and name HD% ) 6.000 4.500 0.000 peak 206 spectrum 1 weight 0.10000E+01 volume 0.48710E-03 ppm1 3.823 ppm2 7.692 CV 1 ASSI { 207} (( segid " A" and resid 168 and name HA )) (( segid " A" and resid 169 and name HN )) 6.000 4.500 0.000 peak 207 spectrum 1 weight 0.10000E+01 volume 0.65444E-03 ppm1 4.017 ppm2 7.702 CV 1 ASSI { 208} (( segid " A" and resid 136 and name HA2 )) (( segid " A" and resid 136 and name HN )) 6.000 4.500 0.000 peak 208 spectrum 1 weight 0.10000E+01 volume 0.43143E-03 ppm1 4.083 ppm2 7.706 CV 1 ASSI { 209} (( segid " A" and resid 136 and name HA1 )) (( segid " A" and resid 136 and name HN )) 6.000 4.500 0.000 peak 209 spectrum 1 weight 0.10000E+01 volume 0.50159E-03 ppm1 3.928 ppm2 7.699 CV 1 ASSI { 210} (( segid " A" and resid 168 and name HB2 )) (( segid " A" and resid 169 and name HN )) 6.000 4.500 0.000 peak 210 spectrum 1 weight 0.10000E+01 volume 0.79584E-03 ppm1 1.868 ppm2 7.704 CV 1 ASSI { 212} ( segid " A" and resid 169 and name HB% ) (( segid " A" and resid 169 and name HN )) 6.000 4.500 0.000 peak 212 spectrum 1 weight 0.10000E+01 volume 0.55261E-02 ppm1 1.345 ppm2 7.707 CV 1 ASSI { 213} (( segid " A" and resid 229 and name HA )) ( segid " A" and resid 229 and name HD% ) 6.000 4.500 0.000 peak 213 spectrum 1 weight 0.10000E+01 volume 0.13545E-02 ppm1 4.171 ppm2 7.671 CV 1 ASSI { 214} (( segid " A" and resid 229 and name HB2 )) ( segid " A" and resid 229 and name HD% ) 6.000 4.500 0.000 peak 214 spectrum 1 weight 0.10000E+01 volume 0.50580E-03 ppm1 2.832 ppm2 7.659 CV 1 ASSI { 215} (( segid " A" and resid 228 and name HB )) ( segid " A" and resid 229 and name HD% ) 6.000 4.500 0.000 peak 215 spectrum 1 weight 0.10000E+01 volume 0.81259E-03 ppm1 2.066 ppm2 7.668 CV 1 ASSI { 216} (( segid " A" and resid 225 and name HG11)) ( segid " A" and resid 229 and name HD% ) 6.000 4.500 0.000 peak 216 spectrum 1 weight 0.10000E+01 volume 0.11934E-02 ppm1 1.046 ppm2 7.675 CV 1 ASSI { 217} ( segid " A" and resid 228 and name HG1%) ( segid " A" and resid 229 and name HD% ) 6.000 4.500 0.000 peak 217 spectrum 1 weight 0.10000E+01 volume 0.30030E-02 ppm1 0.983 ppm2 7.668 CV 1 OR { 217} ( segid " A" and resid 282 and name HG1%) ( segid " A" and resid 229 and name HD% ) ASSI { 218} ( segid " A" and resid 228 and name HG2%) ( segid " A" and resid 229 and name HD% ) 6.000 4.500 0.000 peak 218 spectrum 1 weight 0.10000E+01 volume 0.14107E-02 ppm1 0.474 ppm2 7.666 CV 1 ASSI { 219} ( segid " A" and resid 240 and name HD2%) ( segid " A" and resid 229 and name HD% ) 6.000 4.500 0.000 peak 219 spectrum 1 weight 0.10000E+01 volume 0.52461E-03 ppm1 0.086 ppm2 7.677 CV 1 ASSI { 220} ( segid " A" and resid 266 and name HB% ) ( segid " A" and resid 229 and name HD% ) 6.000 4.500 0.000 peak 220 spectrum 1 weight 0.10000E+01 volume 0.32938E-02 ppm1 1.249 ppm2 7.666 CV 1 ASSI { 221} ( segid " A" and resid 211 and name HG2%) ( segid " A" and resid 229 and name HD% ) 6.000 4.500 0.000 peak 221 spectrum 1 weight 0.10000E+01 volume 0.60623E-03 ppm1 0.956 ppm2 7.662 CV 1 OR { 221} ( segid " A" and resid 211 and name HG2%) (( segid " A" and resid 213 and name HN )) ASSI { 222} ( segid " A" and resid 225 and name HG2%) ( segid " A" and resid 229 and name HD% ) 6.000 4.500 0.000 peak 222 spectrum 1 weight 0.10000E+01 volume 0.47748E-02 ppm1 0.614 ppm2 7.667 CV 1 ASSI { 223} ( segid " A" and resid 255 and name HG2%) ( segid " A" and resid 229 and name HD% ) 6.000 4.500 0.000 peak 223 spectrum 1 weight 0.10000E+01 volume 0.73595E-03 ppm1 0.216 ppm2 7.663 CV 1 ASSI { 224} ( segid " A" and resid 211 and name HD1%) ( segid " A" and resid 229 and name HD% ) 6.000 4.500 0.000 peak 224 spectrum 1 weight 0.10000E+01 volume 0.22258E-02 ppm1 0.737 ppm2 7.665 CV 1 ASSI { 225} ( segid " A" and resid 270 and name HE% ) ( segid " A" and resid 229 and name HD% ) 6.000 4.500 0.000 peak 225 spectrum 1 weight 0.10000E+01 volume 0.15664E-02 ppm1 0.184 ppm2 7.668 CV 1 ASSI { 226} ( segid " A" and resid 235 and name HD1%) ( segid " A" and resid 229 and name HD% ) 6.000 4.500 0.000 peak 226 spectrum 1 weight 0.10000E+01 volume 0.12659E-02 ppm1 0.677 ppm2 7.665 CV 1 ASSI { 227} ( segid " A" and resid 255 and name HD1%) ( segid " A" and resid 229 and name HD% ) 6.000 4.500 0.000 peak 227 spectrum 1 weight 0.10000E+01 volume 0.26928E-02 ppm1 -0.126 ppm2 7.667 CV 1 ASSI { 228} ( segid " A" and resid 225 and name HD1%) ( segid " A" and resid 229 and name HD% ) 6.000 4.500 0.000 peak 228 spectrum 1 weight 0.10000E+01 volume 0.13426E-02 ppm1 0.634 ppm2 7.667 CV 1 ASSI { 229} (( segid " A" and resid 213 and name HA )) (( segid " A" and resid 213 and name HN )) 6.000 4.500 0.000 peak 229 spectrum 1 weight 0.10000E+01 volume 0.60526E-03 ppm1 4.595 ppm2 7.639 CV 1 ASSI { 230} (( segid " A" and resid 254 and name HA )) (( segid " A" and resid 213 and name HN )) 6.000 4.500 0.000 peak 230 spectrum 1 weight 0.10000E+01 volume 0.48429E-03 ppm1 5.742 ppm2 7.630 CV 1 ASSI { 231} (( segid " A" and resid 212 and name HA )) (( segid " A" and resid 213 and name HN )) 6.000 4.500 0.000 peak 231 spectrum 1 weight 0.10000E+01 volume 0.21404E-02 ppm1 4.716 ppm2 7.638 CV 1 ASSI { 233} (( segid " A" and resid 213 and name HB )) (( segid " A" and resid 213 and name HN )) 6.000 4.500 0.000 peak 233 spectrum 1 weight 0.10000E+01 volume 0.18561E-02 ppm1 1.220 ppm2 7.635 CV 1 ASSI { 234} ( segid " A" and resid 213 and name HG1%) (( segid " A" and resid 213 and name HN )) 6.000 4.500 0.000 peak 234 spectrum 1 weight 0.10000E+01 volume 0.44797E-02 ppm1 0.341 ppm2 7.642 CV 1 ASSI { 235} ( segid " A" and resid 213 and name HG2%) (( segid " A" and resid 213 and name HN )) 6.000 4.500 0.000 peak 235 spectrum 1 weight 0.10000E+01 volume 0.48970E-02 ppm1 0.405 ppm2 7.640 CV 1 ASSI { 236} (( segid " A" and resid 167 and name HA )) (( segid " A" and resid 168 and name HN )) 6.000 4.500 0.000 peak 236 spectrum 1 weight 0.10000E+01 volume 0.60720E-03 ppm1 3.709 ppm2 7.462 CV 1 ASSI { 237} (( segid " A" and resid 168 and name HA )) (( segid " A" and resid 168 and name HN )) 6.000 4.500 0.000 peak 237 spectrum 1 weight 0.10000E+01 volume 0.11567E-02 ppm1 4.015 ppm2 7.457 CV 1 ASSI { 238} (( segid " A" and resid 168 and name HB2 )) (( segid " A" and resid 168 and name HN )) 6.000 4.500 0.000 peak 238 spectrum 1 weight 0.10000E+01 volume 0.11848E-02 ppm1 1.868 ppm2 7.447 CV 1 ASSI { 239} (( segid " A" and resid 168 and name HB1 )) (( segid " A" and resid 168 and name HN )) 6.000 4.500 0.000 peak 239 spectrum 1 weight 0.10000E+01 volume 0.83908E-03 ppm1 1.525 ppm2 7.455 CV 1 ASSI { 240} (( segid " A" and resid 168 and name HG )) (( segid " A" and resid 168 and name HN )) 6.000 4.500 0.000 peak 240 spectrum 1 weight 0.10000E+01 volume 0.12280E-02 ppm1 1.906 ppm2 7.448 CV 1 ASSI { 241} ( segid " A" and resid 168 and name HD2%) (( segid " A" and resid 168 and name HN )) 6.000 4.500 0.000 peak 241 spectrum 1 weight 0.10000E+01 volume 0.24042E-02 ppm1 1.014 ppm2 7.450 CV 1 ASSI { 242} ( segid " A" and resid 170 and name HD2%) (( segid " A" and resid 168 and name HN )) 6.000 4.500 0.000 peak 242 spectrum 1 weight 0.10000E+01 volume 0.68785E-03 ppm1 0.782 ppm2 7.440 CV 1 OR { 242} ( segid " A" and resid 170 and name HD2%) (( segid " A" and resid 113 and name HN )) ASSI { 243} ( segid " A" and resid 168 and name HD1%) (( segid " A" and resid 168 and name HN )) 6.000 4.500 0.000 peak 243 spectrum 1 weight 0.10000E+01 volume 0.35965E-02 ppm1 0.896 ppm2 7.447 CV 1 ASSI { 244} ( segid " A" and resid 286 and name HG1%) (( segid " A" and resid 167 and name HN )) 6.000 4.500 0.000 peak 244 spectrum 1 weight 0.10000E+01 volume 0.67995E-03 ppm1 0.782 ppm2 7.436 CV 1 OR { 244} ( segid " A" and resid 286 and name HG1%) (( segid " A" and resid 168 and name HN )) ASSI { 245} ( segid " A" and resid 169 and name HB% ) (( segid " A" and resid 168 and name HN )) 6.000 4.500 0.000 peak 245 spectrum 1 weight 0.10000E+01 volume 0.12561E-02 ppm1 1.345 ppm2 7.435 CV 1 OR { 245} ( segid " A" and resid 169 and name HB% ) (( segid " A" and resid 167 and name HN )) ASSI { 246} (( segid " A" and resid 218 and name HA )) (( segid " A" and resid 249 and name HE1 )) 6.000 4.500 0.000 peak 246 spectrum 1 weight 0.10000E+01 volume 0.23988E-02 ppm1 3.631 ppm2 7.420 CV 1 ASSI { 247} (( segid " A" and resid 150 and name HA )) (( segid " A" and resid 145 and name HZ2 )) 6.000 4.500 0.000 peak 247 spectrum 1 weight 0.10000E+01 volume 0.54894E-03 ppm1 3.887 ppm2 7.429 CV 1 ASSI { 248} (( segid " A" and resid 216 and name HB )) (( segid " A" and resid 249 and name HE1 )) 6.000 4.500 0.000 peak 248 spectrum 1 weight 0.10000E+01 volume 0.70352E-03 ppm1 1.291 ppm2 7.417 CV 1 ASSI { 249} ( segid " A" and resid 216 and name HG1%) (( segid " A" and resid 249 and name HE1 )) 6.000 4.500 0.000 peak 249 spectrum 1 weight 0.10000E+01 volume 0.30701E-02 ppm1 0.671 ppm2 7.415 CV 1 ASSI { 250} ( segid " A" and resid 216 and name HG2%) (( segid " A" and resid 249 and name HE1 )) 6.000 4.500 0.000 peak 250 spectrum 1 weight 0.10000E+01 volume 0.13426E-02 ppm1 0.373 ppm2 7.412 CV 1 ASSI { 251} ( segid " A" and resid 150 and name HE% ) (( segid " A" and resid 145 and name HZ2 )) 6.000 4.500 0.000 peak 251 spectrum 1 weight 0.10000E+01 volume 0.28139E-02 ppm1 2.007 ppm2 7.428 CV 1 ASSI { 254} (( segid " A" and resid 144 and name HB2 )) ( segid " A" and resid 157 and name HE% ) 6.000 4.500 0.000 peak 254 spectrum 1 weight 0.10000E+01 volume 0.92134E-03 ppm1 3.459 ppm2 7.357 CV 1 OR { 254} (( segid " A" and resid 144 and name HB2 )) ( segid " A" and resid 155 and name HE% ) ASSI { 255} (( segid " A" and resid 144 and name HB1 )) ( segid " A" and resid 157 and name HE% ) 6.000 4.500 0.000 peak 255 spectrum 1 weight 0.10000E+01 volume 0.66320E-03 ppm1 3.171 ppm2 7.359 CV 1 OR { 255} (( segid " A" and resid 144 and name HB1 )) ( segid " A" and resid 155 and name HE% ) ASSI { 256} (( segid " A" and resid 288 and name HA )) ( segid " A" and resid 208 and name HE% ) 6.000 4.500 0.000 peak 256 spectrum 1 weight 0.10000E+01 volume 0.75271E-03 ppm1 4.351 ppm2 7.360 CV 1 ASSI { 257} (( segid " A" and resid 172 and name HA )) (( segid " A" and resid 176 and name HN )) 6.000 4.500 0.000 peak 257 spectrum 1 weight 0.10000E+01 volume 0.26647E-02 ppm1 4.476 ppm2 7.370 CV 1 OR { 257} (( segid " A" and resid 172 and name HA )) ( segid " A" and resid 135 and name HE% ) ASSI { 258} (( segid " A" and resid 224 and name HA )) (( segid " A" and resid 225 and name HN )) 6.000 4.500 0.000 peak 258 spectrum 1 weight 0.10000E+01 volume 0.88383E-03 ppm1 4.368 ppm2 7.353 CV 1 ASSI { 259} (( segid " A" and resid 205 and name HA )) ( segid " A" and resid 208 and name HE% ) 6.000 4.500 0.000 peak 259 spectrum 1 weight 0.10000E+01 volume 0.24874E-02 ppm1 3.857 ppm2 7.371 CV 1 OR { 259} (( segid " A" and resid 231 and name HA )) ( segid " A" and resid 232 and name HD% ) ASSI { 260} (( segid " A" and resid 207 and name HA )) ( segid " A" and resid 208 and name HE% ) 6.000 4.500 0.000 peak 260 spectrum 1 weight 0.10000E+01 volume 0.51975E-03 ppm1 4.108 ppm2 7.352 CV 1 ASSI { 261} ( segid " A" and resid 178 and name HD1%) ( segid " A" and resid 135 and name HE% ) 6.000 4.500 0.000 peak 261 spectrum 1 weight 0.10000E+01 volume 0.92545E-03 ppm1 0.803 ppm2 7.354 CV 1 OR { 261} ( segid " A" and resid 272 and name HD1%) (( segid " A" and resid 269 and name HN )) OR { 261} ( segid " A" and resid 178 and name HD1%) (( segid " A" and resid 176 and name HN )) OR { 261} ( segid " A" and resid 170 and name HD1%) (( segid " A" and resid 176 and name HN )) OR { 261} ( segid " A" and resid 170 and name HD1%) ( segid " A" and resid 135 and name HE% ) OR { 261} ( segid " A" and resid 170 and name HD2%) ( segid " A" and resid 135 and name HE% ) ASSI { 262} ( segid " A" and resid 207 and name HB% ) ( segid " A" and resid 208 and name HE% ) 6.000 4.500 0.000 peak 262 spectrum 1 weight 0.10000E+01 volume 0.69703E-02 ppm1 1.146 ppm2 7.368 CV 1 ASSI { 263} ( segid " A" and resid 270 and name HE% ) ( segid " A" and resid 232 and name HD% ) 6.000 4.500 0.000 peak 263 spectrum 1 weight 0.10000E+01 volume 0.13188E-02 ppm1 0.184 ppm2 7.356 CV 1 ASSI { 264} (( segid " A" and resid 229 and name HA )) ( segid " A" and resid 232 and name HD% ) 6.000 4.500 0.000 peak 264 spectrum 1 weight 0.10000E+01 volume 0.13113E-02 ppm1 4.170 ppm2 7.347 CV 1 ASSI { 265} (( segid " A" and resid 232 and name HA )) ( segid " A" and resid 232 and name HD% ) 6.000 4.500 0.000 peak 265 spectrum 1 weight 0.10000E+01 volume 0.18345E-02 ppm1 4.245 ppm2 7.342 CV 1 ASSI { 266} (( segid " A" and resid 145 and name HA )) (( segid " A" and resid 145 and name HE3 )) 6.000 4.500 0.000 peak 266 spectrum 1 weight 0.10000E+01 volume 0.17426E-02 ppm1 4.591 ppm2 7.329 CV 1 ASSI { 267} (( segid " A" and resid 265 and name HA )) (( segid " A" and resid 269 and name HN )) 6.000 4.500 0.000 peak 267 spectrum 1 weight 0.10000E+01 volume 0.52180E-03 ppm1 4.230 ppm2 7.339 CV 1 OR { 267} (( segid " A" and resid 265 and name HA )) ( segid " A" and resid 232 and name HD% ) ASSI { 268} (( segid " A" and resid 266 and name HA )) ( segid " A" and resid 232 and name HD% ) 6.000 4.500 0.000 peak 268 spectrum 1 weight 0.10000E+01 volume 0.84502E-03 ppm1 2.389 ppm2 7.327 CV 1 OR { 268} (( segid " A" and resid 169 and name HA )) ( segid " A" and resid 135 and name HE% ) ASSI { 269} (( segid " A" and resid 224 and name HB1 )) (( segid " A" and resid 225 and name HN )) 6.000 4.500 0.000 peak 269 spectrum 1 weight 0.10000E+01 volume 0.23350E-02 ppm1 2.984 ppm2 7.347 CV 1 ASSI { 270} (( segid " A" and resid 265 and name HB1 )) ( segid " A" and resid 232 and name HD% ) 6.000 4.500 0.000 peak 270 spectrum 1 weight 0.10000E+01 volume 0.83032E-03 ppm1 2.764 ppm2 7.339 CV 1 ASSI { 271} (( segid " A" and resid 265 and name HB2 )) ( segid " A" and resid 232 and name HD% ) 6.000 4.500 0.000 peak 271 spectrum 1 weight 0.10000E+01 volume 0.85292E-03 ppm1 2.706 ppm2 7.348 CV 1 OR { 271} (( segid " A" and resid 265 and name HB2 )) (( segid " A" and resid 269 and name HN )) ASSI { 272} (( segid " A" and resid 232 and name HB1 )) ( segid " A" and resid 232 and name HD% ) 6.000 4.500 0.000 peak 272 spectrum 1 weight 0.10000E+01 volume 0.10533E-02 ppm1 3.437 ppm2 7.328 CV 1 ASSI { 273} (( segid " A" and resid 145 and name HB1 )) (( segid " A" and resid 145 and name HE3 )) 6.000 4.500 0.000 peak 273 spectrum 1 weight 0.10000E+01 volume 0.83811E-03 ppm1 3.055 ppm2 7.340 CV 1 ASSI { 274} (( segid " A" and resid 225 and name HG12)) (( segid " A" and resid 225 and name HN )) 6.000 4.500 0.000 peak 274 spectrum 1 weight 0.10000E+01 volume 0.11275E-02 ppm1 1.525 ppm2 7.336 CV 1 ASSI { 275} ( segid " A" and resid 220 and name HD1%) (( segid " A" and resid 225 and name HN )) 6.000 4.500 0.000 peak 275 spectrum 1 weight 0.10000E+01 volume 0.73303E-03 ppm1 0.688 ppm2 7.341 CV 1 ASSI { 277} ( segid " A" and resid 272 and name HD2%) (( segid " A" and resid 269 and name HN )) 6.000 4.500 0.000 peak 277 spectrum 1 weight 0.10000E+01 volume 0.92967E-03 ppm1 0.703 ppm2 7.351 CV 1 OR { 277} ( segid " A" and resid 116 and name HG2%) ( segid " A" and resid 157 and name HE% ) ASSI { 278} ( segid " A" and resid 228 and name HG2%) (( segid " A" and resid 225 and name HN )) 6.000 4.500 0.000 peak 278 spectrum 1 weight 0.10000E+01 volume 0.59542E-03 ppm1 0.472 ppm2 7.348 CV 1 OR { 278} ( segid " A" and resid 228 and name HG2%) ( segid " A" and resid 232 and name HD% ) ASSI { 279} ( segid " A" and resid 213 and name HG2%) (( segid " A" and resid 225 and name HN )) 6.000 4.500 0.000 peak 279 spectrum 1 weight 0.10000E+01 volume 0.75854E-03 ppm1 0.405 ppm2 7.344 CV 1 OR { 279} ( segid " A" and resid 213 and name HG2%) ( segid " A" and resid 254 and name HE% ) OR { 279} ( segid " A" and resid 213 and name HG2%) (( segid " A" and resid 269 and name HN )) OR { 279} ( segid " A" and resid 213 and name HG2%) ( segid " A" and resid 232 and name HD% ) ASSI { 280} ( segid " A" and resid 114 and name HG1%) ( segid " A" and resid 135 and name HE% ) 6.000 4.500 0.000 peak 280 spectrum 1 weight 0.10000E+01 volume 0.80081E-03 ppm1 0.887 ppm2 7.350 CV 1 OR { 280} ( segid " A" and resid 148 and name HG2%) (( segid " A" and resid 145 and name HE3 )) ASSI { 281} ( segid " A" and resid 266 and name HB% ) ( segid " A" and resid 232 and name HD% ) 6.000 4.500 0.000 peak 281 spectrum 1 weight 0.10000E+01 volume 0.22485E-02 ppm1 1.248 ppm2 7.335 CV 1 ASSI { 282} ( segid " A" and resid 131 and name HB% ) ( segid " A" and resid 135 and name HE% ) 6.000 4.500 0.000 peak 282 spectrum 1 weight 0.10000E+01 volume 0.10325E-02 ppm1 1.452 ppm2 7.351 CV 1 ASSI { 283} ( segid " A" and resid 231 and name HB% ) ( segid " A" and resid 232 and name HD% ) 6.000 4.500 0.000 peak 283 spectrum 1 weight 0.10000E+01 volume 0.11740E-02 ppm1 0.928 ppm2 7.342 CV 1 ASSI { 284} ( segid " A" and resid 225 and name HG2%) (( segid " A" and resid 225 and name HN )) 6.000 4.500 0.000 peak 284 spectrum 1 weight 0.10000E+01 volume 0.21404E-02 ppm1 0.615 ppm2 7.328 CV 1 ASSI { 285} ( segid " A" and resid 173 and name HE% ) ( segid " A" and resid 135 and name HE% ) 6.000 4.500 0.000 peak 285 spectrum 1 weight 0.10000E+01 volume 0.23177E-02 ppm1 1.385 ppm2 7.336 CV 1 ASSI { 286} ( segid " A" and resid 255 and name HD1%) (( segid " A" and resid 225 and name HN )) 6.000 4.500 0.000 peak 286 spectrum 1 weight 0.10000E+01 volume 0.51348E-03 ppm1 -0.124 ppm2 7.350 CV 1 OR { 286} ( segid " A" and resid 255 and name HD1%) ( segid " A" and resid 254 and name HE% ) OR { 286} ( segid " A" and resid 255 and name HD1%) ( segid " A" and resid 232 and name HD% ) ASSI { 287} ( segid " A" and resid 225 and name HD1%) (( segid " A" and resid 225 and name HN )) 6.000 4.500 0.000 peak 287 spectrum 1 weight 0.10000E+01 volume 0.15837E-02 ppm1 0.635 ppm2 7.331 CV 1 ASSI { 288} (( segid " A" and resid 225 and name HA )) (( segid " A" and resid 225 and name HN )) 6.000 4.500 0.000 peak 288 spectrum 1 weight 0.10000E+01 volume 0.66223E-03 ppm1 3.823 ppm2 7.314 CV 1 ASSI { 289} (( segid " A" and resid 285 and name HA )) ( segid " A" and resid 254 and name HE% ) 6.000 4.500 0.000 peak 289 spectrum 1 weight 0.10000E+01 volume 0.93659E-03 ppm1 4.744 ppm2 7.322 CV 1 ASSI { 290} (( segid " A" and resid 225 and name HB )) (( segid " A" and resid 225 and name HN )) 6.000 4.500 0.000 peak 290 spectrum 1 weight 0.10000E+01 volume 0.16896E-02 ppm1 1.824 ppm2 7.318 CV 1 ASSI { 291} ( segid " A" and resid 162 and name HG1%) ( segid " A" and resid 254 and name HE% ) 6.000 4.500 0.000 peak 291 spectrum 1 weight 0.10000E+01 volume 0.56915E-02 ppm1 1.058 ppm2 7.313 CV 1 ASSI { 292} ( segid " A" and resid 285 and name HB% ) ( segid " A" and resid 254 and name HD% ) 6.000 4.500 0.000 peak 292 spectrum 1 weight 0.10000E+01 volume 0.37187E-02 ppm1 1.514 ppm2 7.269 CV 1 ASSI { 294} ( segid " A" and resid 143 and name HE% ) (( segid " A" and resid 145 and name HE3 )) 6.000 4.500 0.000 peak 294 spectrum 1 weight 0.10000E+01 volume 0.73109E-03 ppm1 1.268 ppm2 7.313 CV 1 ASSI { 295} (( segid " A" and resid 132 and name HA )) ( segid " A" and resid 135 and name HD% ) 6.000 4.500 0.000 peak 295 spectrum 1 weight 0.10000E+01 volume 0.13145E-02 ppm1 4.742 ppm2 7.291 CV 1 ASSI { 296} (( segid " A" and resid 135 and name HA )) ( segid " A" and resid 135 and name HD% ) 6.000 4.500 0.000 peak 296 spectrum 1 weight 0.10000E+01 volume 0.94913E-03 ppm1 3.874 ppm2 7.273 CV 1 ASSI { 297} (( segid " A" and resid 165 and name HA )) ( segid " A" and resid 135 and name HD% ) 6.000 4.500 0.000 peak 297 spectrum 1 weight 0.10000E+01 volume 0.63380E-03 ppm1 3.627 ppm2 7.277 CV 1 ASSI { 298} (( segid " A" and resid 168 and name HB2 )) ( segid " A" and resid 135 and name HD% ) 6.000 4.500 0.000 peak 298 spectrum 1 weight 0.10000E+01 volume 0.62493E-03 ppm1 1.868 ppm2 7.277 CV 1 ASSI { 299} (( segid " A" and resid 168 and name HB1 )) ( segid " A" and resid 135 and name HD% ) 6.000 4.500 0.000 peak 299 spectrum 1 weight 0.10000E+01 volume 0.81065E-03 ppm1 1.537 ppm2 7.270 CV 1 ASSI { 300} ( segid " A" and resid 168 and name HD2%) ( segid " A" and resid 135 and name HD% ) 6.000 4.500 0.000 peak 300 spectrum 1 weight 0.10000E+01 volume 0.27555E-02 ppm1 1.012 ppm2 7.278 CV 1 ASSI { 301} ( segid " A" and resid 168 and name HD1%) ( segid " A" and resid 135 and name HD% ) 6.000 4.500 0.000 peak 301 spectrum 1 weight 0.10000E+01 volume 0.29122E-02 ppm1 0.897 ppm2 7.283 CV 1 ASSI { 302} ( segid " A" and resid 214 and name HB% ) ( segid " A" and resid 135 and name HD% ) 6.000 4.500 0.000 peak 302 spectrum 1 weight 0.10000E+01 volume 0.12713E-02 ppm1 1.270 ppm2 7.291 CV 1 ASSI { 303} ( segid " A" and resid 239 and name HG2%) ( segid " A" and resid 254 and name HD% ) 6.000 4.500 0.000 peak 303 spectrum 1 weight 0.10000E+01 volume 0.75952E-03 ppm1 1.172 ppm2 7.280 CV 1 ASSI { 304} ( segid " A" and resid 169 and name HB% ) ( segid " A" and resid 135 and name HD% ) 6.000 4.500 0.000 peak 304 spectrum 1 weight 0.10000E+01 volume 0.18842E-02 ppm1 1.346 ppm2 7.286 CV 1 ASSI { 305} (( segid " A" and resid 239 and name HB )) ( segid " A" and resid 254 and name HD% ) 6.000 4.500 0.000 peak 305 spectrum 1 weight 0.10000E+01 volume 0.61607E-03 ppm1 3.923 ppm2 7.258 CV 1 ASSI { 306} (( segid " A" and resid 254 and name HA )) ( segid " A" and resid 254 and name HD% ) 6.000 4.500 0.000 peak 306 spectrum 1 weight 0.10000E+01 volume 0.10983E-02 ppm1 5.734 ppm2 7.252 CV 1 ASSI { 308} (( segid " A" and resid 254 and name HB2 )) ( segid " A" and resid 254 and name HD% ) 6.000 4.500 0.000 peak 308 spectrum 1 weight 0.10000E+01 volume 0.12107E-02 ppm1 2.763 ppm2 7.253 CV 1 ASSI { 309} (( segid " A" and resid 254 and name HB2 )) ( segid " A" and resid 254 and name HD% ) 6.000 4.500 0.000 peak 309 spectrum 1 weight 0.10000E+01 volume 0.12778E-02 ppm1 2.738 ppm2 7.251 CV 1 OR { 309} (( segid " A" and resid 254 and name HB1 )) ( segid " A" and resid 254 and name HD% ) ASSI { 310} ( segid " A" and resid 119 and name HG2%) (( segid " A" and resid 152 and name HE1 )) 6.000 4.500 0.000 peak 310 spectrum 1 weight 0.10000E+01 volume 0.30971E-02 ppm1 0.691 ppm2 7.269 CV 1 ASSI { 311} ( segid " A" and resid 119 and name HD1%) (( segid " A" and resid 152 and name HE1 )) 6.000 4.500 0.000 peak 311 spectrum 1 weight 0.10000E+01 volume 0.81259E-03 ppm1 0.238 ppm2 7.267 CV 1 ASSI { 312} (( segid " A" and resid 273 and name HA )) ( segid " A" and resid 273 and name HD% ) 6.000 4.500 0.000 peak 312 spectrum 1 weight 0.10000E+01 volume 0.20150E-02 ppm1 4.290 ppm2 7.161 CV 1 ASSI { 314} (( segid " A" and resid 270 and name HA )) ( segid " A" and resid 273 and name HD% ) 6.000 4.500 0.000 peak 314 spectrum 1 weight 0.10000E+01 volume 0.90880E-03 ppm1 4.948 ppm2 7.166 CV 1 ASSI { 315} (( segid " A" and resid 275 and name HA )) ( segid " A" and resid 273 and name HD% ) 6.000 4.500 0.000 peak 315 spectrum 1 weight 0.10000E+01 volume 0.66623E-03 ppm1 4.770 ppm2 7.162 CV 1 ASSI { 316} (( segid " A" and resid 142 and name HB1 )) ( segid " A" and resid 157 and name HD% ) 6.000 4.500 0.000 peak 316 spectrum 1 weight 0.10000E+01 volume 0.91021E-03 ppm1 2.818 ppm2 7.174 CV 1 ASSI { 317} (( segid " A" and resid 142 and name HB2 )) ( segid " A" and resid 157 and name HD% ) 6.000 4.500 0.000 peak 317 spectrum 1 weight 0.10000E+01 volume 0.84016E-03 ppm1 2.608 ppm2 7.179 CV 1 ASSI { 318} (( segid " A" and resid 157 and name HB2 )) ( segid " A" and resid 157 and name HD% ) 6.000 4.500 0.000 peak 318 spectrum 1 weight 0.10000E+01 volume 0.84892E-03 ppm1 2.735 ppm2 7.174 CV 1 ASSI { 319} (( segid " A" and resid 273 and name HB2 )) ( segid " A" and resid 273 and name HD% ) 6.000 4.500 0.000 peak 319 spectrum 1 weight 0.10000E+01 volume 0.12064E-02 ppm1 2.964 ppm2 7.175 CV 1 ASSI { 320} ( segid " A" and resid 280 and name HD1%) ( segid " A" and resid 273 and name HD% ) 6.000 4.500 0.000 peak 320 spectrum 1 weight 0.10000E+01 volume 0.21728E-02 ppm1 1.052 ppm2 7.163 CV 1 ASSI { 321} ( segid " A" and resid 275 and name HD2%) ( segid " A" and resid 273 and name HD% ) 6.000 4.500 0.000 peak 321 spectrum 1 weight 0.10000E+01 volume 0.13696E-02 ppm1 0.966 ppm2 7.166 CV 1 ASSI { 322} ( segid " A" and resid 275 and name HD1%) ( segid " A" and resid 273 and name HD% ) 6.000 4.500 0.000 peak 322 spectrum 1 weight 0.10000E+01 volume 0.27317E-02 ppm1 1.044 ppm2 7.177 CV 1 ASSI { 323} ( segid " A" and resid 280 and name HD2%) ( segid " A" and resid 273 and name HD% ) 6.000 4.500 0.000 peak 323 spectrum 1 weight 0.10000E+01 volume 0.11642E-02 ppm1 0.870 ppm2 7.170 CV 1 ASSI { 324} ( segid " A" and resid 225 and name HG2%) ( segid " A" and resid 273 and name HD% ) 6.000 4.500 0.000 peak 324 spectrum 1 weight 0.10000E+01 volume 0.75271E-03 ppm1 0.616 ppm2 7.180 CV 1 ASSI { 325} ( segid " A" and resid 150 and name HE% ) (( segid " A" and resid 145 and name HH2 )) 6.000 4.500 0.000 peak 325 spectrum 1 weight 0.10000E+01 volume 0.12680E-02 ppm1 2.006 ppm2 7.170 CV 1 ASSI { 326} (( segid " A" and resid 275 and name HB2 )) ( segid " A" and resid 273 and name HD% ) 6.000 4.500 0.000 peak 326 spectrum 1 weight 0.10000E+01 volume 0.56699E-03 ppm1 2.094 ppm2 7.151 CV 1 ASSI { 327} (( segid " A" and resid 275 and name HB1 )) ( segid " A" and resid 273 and name HD% ) 6.000 4.500 0.000 peak 327 spectrum 1 weight 0.10000E+01 volume 0.72514E-03 ppm1 1.458 ppm2 7.151 CV 1 ASSI { 329} ( segid " A" and resid 270 and name HE% ) ( segid " A" and resid 273 and name HD% ) 6.000 4.500 0.000 peak 329 spectrum 1 weight 0.10000E+01 volume 0.35079E-02 ppm1 0.184 ppm2 7.154 CV 1 ASSI { 330} (( segid " A" and resid 144 and name HA )) (( segid " A" and resid 145 and name HD1 )) 6.000 4.500 0.000 peak 330 spectrum 1 weight 0.10000E+01 volume 0.71930E-03 ppm1 4.468 ppm2 7.115 CV 1 ASSI { 331} (( segid " A" and resid 252 and name HA )) (( segid " A" and resid 252 and name HN )) 6.000 4.500 0.000 peak 331 spectrum 1 weight 0.10000E+01 volume 0.46343E-03 ppm1 5.603 ppm2 7.116 CV 1 ASSI { 332} ( segid " A" and resid 214 and name HB% ) (( segid " A" and resid 252 and name HN )) 6.000 4.500 0.000 peak 332 spectrum 1 weight 0.10000E+01 volume 0.80178E-03 ppm1 1.275 ppm2 7.131 CV 1 OR { 332} ( segid " A" and resid 214 and name HB% ) (( segid " A" and resid 135 and name HZ )) ASSI { 333} ( segid " A" and resid 216 and name HG2%) (( segid " A" and resid 252 and name HN )) 6.000 4.500 0.000 peak 333 spectrum 1 weight 0.10000E+01 volume 0.92826E-03 ppm1 0.377 ppm2 7.122 CV 1 ASSI { 334} ( segid " A" and resid 240 and name HD2%) (( segid " A" and resid 252 and name HN )) 6.000 4.500 0.000 peak 334 spectrum 1 weight 0.10000E+01 volume 0.11913E-02 ppm1 0.081 ppm2 7.117 CV 1 ASSI { 335} ( segid " A" and resid 241 and name HB% ) (( segid " A" and resid 252 and name HN )) 6.000 4.500 0.000 peak 335 spectrum 1 weight 0.10000E+01 volume 0.15448E-02 ppm1 0.777 ppm2 7.127 CV 1 ASSI { 336} ( segid " A" and resid 131 and name HB% ) (( segid " A" and resid 135 and name HZ )) 6.000 4.500 0.000 peak 336 spectrum 1 weight 0.10000E+01 volume 0.57942E-03 ppm1 1.446 ppm2 7.106 CV 1 ASSI { 337} (( segid " A" and resid 145 and name HA )) (( segid " A" and resid 145 and name HD1 )) 6.000 4.500 0.000 peak 337 spectrum 1 weight 0.10000E+01 volume 0.84211E-03 ppm1 4.593 ppm2 7.101 CV 1 ASSI { 339} (( segid " A" and resid 122 and name HB1 )) ( segid " A" and resid 120 and name HD% ) 6.000 4.500 0.000 peak 339 spectrum 1 weight 0.10000E+01 volume 0.44602E-03 ppm1 1.564 ppm2 7.097 CV 1 ASSI { 340} (( segid " A" and resid 122 and name HB2 )) ( segid " A" and resid 120 and name HD% ) 6.000 4.500 0.000 peak 340 spectrum 1 weight 0.10000E+01 volume 0.73011E-03 ppm1 2.147 ppm2 7.086 CV 1 ASSI { 341} ( segid " A" and resid 173 and name HE% ) (( segid " A" and resid 135 and name HZ )) 6.000 4.500 0.000 peak 341 spectrum 1 weight 0.10000E+01 volume 0.14637E-02 ppm1 1.382 ppm2 7.091 CV 1 ASSI { 342} (( segid " A" and resid 229 and name HA )) ( segid " A" and resid 232 and name HE% ) 6.000 4.500 0.000 peak 342 spectrum 1 weight 0.10000E+01 volume 0.10075E-02 ppm1 4.177 ppm2 7.052 CV 1 ASSI { 343} (( segid " A" and resid 120 and name HA )) ( segid " A" and resid 120 and name HD% ) 6.000 4.500 0.000 peak 343 spectrum 1 weight 0.10000E+01 volume 0.18312E-02 ppm1 4.426 ppm2 7.072 CV 1 ASSI { 344} (( segid " A" and resid 221 and name HA )) (( segid " A" and resid 249 and name HD2 )) 6.000 4.500 0.000 peak 344 spectrum 1 weight 0.10000E+01 volume 0.12183E-02 ppm1 4.764 ppm2 7.053 CV 1 ASSI { 345} (( segid " A" and resid 266 and name HA )) ( segid " A" and resid 232 and name HE% ) 6.000 4.500 0.000 peak 345 spectrum 1 weight 0.10000E+01 volume 0.10505E-02 ppm1 2.408 ppm2 7.058 CV 1 ASSI { 346} (( segid " A" and resid 181 and name HD2 )) ( segid " A" and resid 120 and name HD% ) 6.000 4.500 0.000 peak 346 spectrum 1 weight 0.10000E+01 volume 0.14940E-02 ppm1 3.001 ppm2 7.069 CV 1 OR { 346} (( segid " A" and resid 181 and name HD1 )) ( segid " A" and resid 120 and name HD% ) ASSI { 347} (( segid " A" and resid 120 and name HB2 )) ( segid " A" and resid 120 and name HD% ) 6.000 4.500 0.000 peak 347 spectrum 1 weight 0.10000E+01 volume 0.75854E-03 ppm1 3.129 ppm2 7.067 CV 1 ASSI { 348} (( segid " A" and resid 120 and name HB1 )) ( segid " A" and resid 120 and name HD% ) 6.000 4.500 0.000 peak 348 spectrum 1 weight 0.10000E+01 volume 0.11394E-02 ppm1 2.749 ppm2 7.072 CV 1 ASSI { 349} (( segid " A" and resid 249 and name HB1 )) (( segid " A" and resid 249 and name HD2 )) 6.000 4.500 0.000 peak 349 spectrum 1 weight 0.10000E+01 volume 0.53845E-03 ppm1 3.273 ppm2 7.065 CV 1 ASSI { 350} (( segid " A" and resid 123 and name HG )) ( segid " A" and resid 120 and name HD% ) 6.000 4.500 0.000 peak 350 spectrum 1 weight 0.10000E+01 volume 0.83130E-03 ppm1 1.831 ppm2 7.069 CV 1 ASSI { 351} (( segid " A" and resid 181 and name HG2 )) ( segid " A" and resid 120 and name HD% ) 6.000 4.500 0.000 peak 351 spectrum 1 weight 0.10000E+01 volume 0.11102E-02 ppm1 1.531 ppm2 7.071 CV 1 OR { 351} (( segid " A" and resid 181 and name HG1 )) ( segid " A" and resid 120 and name HD% ) ASSI { 352} ( segid " A" and resid 123 and name HD2%) ( segid " A" and resid 120 and name HD% ) 6.000 4.500 0.000 peak 352 spectrum 1 weight 0.10000E+01 volume 0.18150E-02 ppm1 0.948 ppm2 7.075 CV 1 ASSI { 353} ( segid " A" and resid 240 and name HD1%) (( segid " A" and resid 249 and name HD2 )) 6.000 4.500 0.000 peak 353 spectrum 1 weight 0.10000E+01 volume 0.31209E-02 ppm1 -0.086 ppm2 7.061 CV 1 ASSI { 354} ( segid " A" and resid 123 and name HD1%) ( segid " A" and resid 120 and name HD% ) 6.000 4.500 0.000 peak 354 spectrum 1 weight 0.10000E+01 volume 0.27004E-02 ppm1 0.928 ppm2 7.073 CV 1 ASSI { 355} ( segid " A" and resid 216 and name HG1%) (( segid " A" and resid 249 and name HD2 )) 6.000 4.500 0.000 peak 355 spectrum 1 weight 0.10000E+01 volume 0.59964E-03 ppm1 0.670 ppm2 7.061 CV 1 OR { 355} ( segid " A" and resid 216 and name HG1%) (( segid " A" and resid 217 and name HD2 )) ASSI { 356} ( segid " A" and resid 119 and name HG2%) ( segid " A" and resid 120 and name HD% ) 6.000 4.500 0.000 peak 356 spectrum 1 weight 0.10000E+01 volume 0.69660E-03 ppm1 0.692 ppm2 7.077 CV 1 ASSI { 357} (( segid " A" and resid 269 and name HB1 )) ( segid " A" and resid 232 and name HE% ) 6.000 4.500 0.000 peak 357 spectrum 1 weight 0.10000E+01 volume 0.84211E-03 ppm1 3.692 ppm2 7.040 CV 1 ASSI { 358} (( segid " A" and resid 269 and name HB2 )) ( segid " A" and resid 232 and name HE% ) 6.000 4.500 0.000 peak 358 spectrum 1 weight 0.10000E+01 volume 0.10213E-02 ppm1 3.519 ppm2 7.048 CV 1 ASSI { 359} (( segid " A" and resid 217 and name HA )) (( segid " A" and resid 217 and name HD2 )) 6.000 4.500 0.000 peak 359 spectrum 1 weight 0.10000E+01 volume 0.11599E-02 ppm1 3.886 ppm2 7.025 CV 1 ASSI { 360} (( segid " A" and resid 232 and name HA )) ( segid " A" and resid 232 and name HE% ) 6.000 4.500 0.000 peak 360 spectrum 1 weight 0.10000E+01 volume 0.88794E-03 ppm1 4.242 ppm2 7.042 CV 1 ASSI { 361} (( segid " A" and resid 278 and name HG2 )) (( segid " A" and resid 217 and name HD2 )) 6.000 4.500 0.000 peak 361 spectrum 1 weight 0.10000E+01 volume 0.13145E-02 ppm1 2.325 ppm2 7.026 CV 1 ASSI { 362} (( segid " A" and resid 278 and name HG1 )) (( segid " A" and resid 217 and name HD2 )) 6.000 4.500 0.000 peak 362 spectrum 1 weight 0.10000E+01 volume 0.12594E-02 ppm1 2.232 ppm2 7.025 CV 1 ASSI { 363} (( segid " A" and resid 249 and name HB2 )) (( segid " A" and resid 249 and name HD2 )) 6.000 4.500 0.000 peak 363 spectrum 1 weight 0.10000E+01 volume 0.44538E-03 ppm1 2.585 ppm2 7.044 CV 1 ASSI { 364} ( segid " A" and resid 220 and name HD1%) (( segid " A" and resid 217 and name HD2 )) 6.000 4.500 0.000 peak 364 spectrum 1 weight 0.10000E+01 volume 0.54753E-03 ppm1 0.694 ppm2 7.045 CV 1 ASSI { 365} ( segid " A" and resid 231 and name HB% ) ( segid " A" and resid 232 and name HE% ) 6.000 4.500 0.000 peak 365 spectrum 1 weight 0.10000E+01 volume 0.16312E-02 ppm1 0.928 ppm2 7.049 CV 1 ASSI { 366} ( segid " A" and resid 270 and name HE% ) ( segid " A" and resid 232 and name HE% ) 6.000 4.500 0.000 peak 366 spectrum 1 weight 0.10000E+01 volume 0.34463E-02 ppm1 0.185 ppm2 7.045 CV 1 ASSI { 367} (( segid " A" and resid 279 and name HA )) ( segid " A" and resid 279 and name HD% ) 6.000 4.500 0.000 peak 367 spectrum 1 weight 0.10000E+01 volume 0.14972E-02 ppm1 4.806 ppm2 6.972 CV 1 ASSI { 368} (( segid " A" and resid 274 and name HA )) ( segid " A" and resid 279 and name HD% ) 6.000 4.500 0.000 peak 368 spectrum 1 weight 0.10000E+01 volume 0.19761E-02 ppm1 4.315 ppm2 6.978 CV 1 ASSI { 369} (( segid " A" and resid 279 and name HB2 )) ( segid " A" and resid 279 and name HD% ) 6.000 4.500 0.000 peak 369 spectrum 1 weight 0.10000E+01 volume 0.69963E-03 ppm1 2.741 ppm2 6.983 CV 1 ASSI { 370} (( segid " A" and resid 279 and name HB1 )) ( segid " A" and resid 279 and name HD% ) 6.000 4.500 0.000 peak 370 spectrum 1 weight 0.10000E+01 volume 0.74481E-03 ppm1 2.538 ppm2 6.970 CV 1 ASSI { 371} ( segid " A" and resid 255 and name HD1%) ( segid " A" and resid 257 and name HD% ) 6.000 4.500 0.000 peak 371 spectrum 1 weight 0.10000E+01 volume 0.67206E-03 ppm1 -0.129 ppm2 6.971 CV 1 ASSI { 372} (( segid " A" and resid 263 and name HB1 )) ( segid " A" and resid 257 and name HD% ) 6.000 4.500 0.000 peak 372 spectrum 1 weight 0.10000E+01 volume 0.14561E-02 ppm1 3.804 ppm2 6.951 CV 1 ASSI { 373} (( segid " A" and resid 263 and name HB2 )) ( segid " A" and resid 257 and name HD% ) 6.000 4.500 0.000 peak 373 spectrum 1 weight 0.10000E+01 volume 0.14896E-02 ppm1 3.758 ppm2 6.947 CV 1 ASSI { 374} (( segid " A" and resid 262 and name HA )) ( segid " A" and resid 257 and name HD% ) 6.000 4.500 0.000 peak 374 spectrum 1 weight 0.10000E+01 volume 0.54396E-03 ppm1 3.997 ppm2 6.962 CV 1 ASSI { 375} (( segid " A" and resid 257 and name HA )) ( segid " A" and resid 257 and name HD% ) 6.000 4.500 0.000 peak 375 spectrum 1 weight 0.10000E+01 volume 0.13437E-02 ppm1 4.851 ppm2 6.955 CV 1 ASSI { 376} (( segid " A" and resid 272 and name HA )) ( segid " A" and resid 279 and name HD% ) 6.000 4.500 0.000 peak 376 spectrum 1 weight 0.10000E+01 volume 0.51694E-03 ppm1 3.891 ppm2 6.966 CV 1 ASSI { 377} (( segid " A" and resid 257 and name HB1 )) ( segid " A" and resid 257 and name HD% ) 6.000 4.500 0.000 peak 377 spectrum 1 weight 0.10000E+01 volume 0.66525E-03 ppm1 2.745 ppm2 6.968 CV 1 ASSI { 379} ( segid " A" and resid 266 and name HB% ) ( segid " A" and resid 257 and name HD% ) 6.000 4.500 0.000 peak 379 spectrum 1 weight 0.10000E+01 volume 0.18701E-02 ppm1 1.249 ppm2 6.959 CV 1 ASSI { 380} ( segid " A" and resid 211 and name HG2%) ( segid " A" and resid 257 and name HD% ) 6.000 4.500 0.000 peak 380 spectrum 1 weight 0.10000E+01 volume 0.21761E-02 ppm1 0.956 ppm2 6.944 CV 1 ASSI { 381} ( segid " A" and resid 211 and name HD1%) ( segid " A" and resid 257 and name HD% ) 6.000 4.500 0.000 peak 381 spectrum 1 weight 0.10000E+01 volume 0.16366E-02 ppm1 0.739 ppm2 6.950 CV 1 ASSI { 382} ( segid " A" and resid 235 and name HD1%) ( segid " A" and resid 257 and name HD% ) 6.000 4.500 0.000 peak 382 spectrum 1 weight 0.10000E+01 volume 0.82827E-03 ppm1 0.676 ppm2 6.950 CV 1 ASSI { 383} (( segid " A" and resid 235 and name HA )) ( segid " A" and resid 257 and name HD% ) 6.000 4.500 0.000 peak 383 spectrum 1 weight 0.10000E+01 volume 0.79887E-03 ppm1 4.057 ppm2 6.936 CV 1 ASSI { 384} (( segid " A" and resid 273 and name HA )) ( segid " A" and resid 273 and name HE% ) 6.000 4.500 0.000 peak 384 spectrum 1 weight 0.10000E+01 volume 0.86989E-03 ppm1 4.285 ppm2 6.934 CV 1 ASSI { 385} (( segid " A" and resid 275 and name HB2 )) ( segid " A" and resid 273 and name HE% ) 6.000 4.500 0.000 peak 385 spectrum 1 weight 0.10000E+01 volume 0.47316E-03 ppm1 2.103 ppm2 6.923 CV 1 OR { 385} (( segid " A" and resid 275 and name HB2 )) (( segid " A" and resid 278 and name HE21)) ASSI { 386} (( segid " A" and resid 275 and name HB1 )) ( segid " A" and resid 273 and name HE% ) 6.000 4.500 0.000 peak 386 spectrum 1 weight 0.10000E+01 volume 0.50926E-03 ppm1 1.448 ppm2 6.925 CV 1 OR { 386} (( segid " A" and resid 275 and name HB1 )) (( segid " A" and resid 278 and name HE21)) ASSI { 387} (( segid " A" and resid 257 and name HB2 )) ( segid " A" and resid 257 and name HD% ) 6.000 4.500 0.000 peak 387 spectrum 1 weight 0.10000E+01 volume 0.61899E-03 ppm1 3.560 ppm2 6.936 CV 1 ASSI { 388} ( segid " A" and resid 275 and name HD2%) ( segid " A" and resid 273 and name HE% ) 6.000 4.500 0.000 peak 388 spectrum 1 weight 0.10000E+01 volume 0.12637E-02 ppm1 0.970 ppm2 6.919 CV 1 ASSI { 389} ( segid " A" and resid 275 and name HD1%) ( segid " A" and resid 273 and name HE% ) 6.000 4.500 0.000 peak 389 spectrum 1 weight 0.10000E+01 volume 0.34517E-02 ppm1 1.043 ppm2 6.919 CV 1 ASSI { 390} ( segid " A" and resid 255 and name HG2%) ( segid " A" and resid 257 and name HD% ) 6.000 4.500 0.000 peak 390 spectrum 1 weight 0.10000E+01 volume 0.10907E-02 ppm1 0.214 ppm2 6.941 CV 1 ASSI { 391} ( segid " A" and resid 228 and name HG2%) ( segid " A" and resid 273 and name HE% ) 6.000 4.500 0.000 peak 391 spectrum 1 weight 0.10000E+01 volume 0.17145E-02 ppm1 0.474 ppm2 6.908 CV 1 ASSI { 392} ( segid " A" and resid 270 and name HE% ) ( segid " A" and resid 273 and name HE% ) 6.000 4.500 0.000 peak 392 spectrum 1 weight 0.10000E+01 volume 0.32225E-02 ppm1 0.184 ppm2 6.900 CV 1 ASSI { 393} ( segid " A" and resid 183 and name HD1%) ( segid " A" and resid 132 and name HE% ) 6.000 4.500 0.000 peak 393 spectrum 1 weight 0.10000E+01 volume 0.40408E-02 ppm1 0.867 ppm2 6.893 CV 1 ASSI { 394} ( segid " A" and resid 178 and name HD1%) ( segid " A" and resid 132 and name HE% ) 6.000 4.500 0.000 peak 394 spectrum 1 weight 0.10000E+01 volume 0.35911E-02 ppm1 0.815 ppm2 6.871 CV 1 ASSI { 395} ( segid " A" and resid 282 and name HG1%) (( segid " A" and resid 229 and name HZ )) 6.000 4.500 0.000 peak 395 spectrum 1 weight 0.10000E+01 volume 0.94048E-02 ppm1 0.987 ppm2 6.873 CV 1 OR { 395} ( segid " A" and resid 185 and name HG1%) ( segid " A" and resid 132 and name HE% ) ASSI { 396} ( segid " A" and resid 116 and name HG1%) ( segid " A" and resid 132 and name HE% ) 6.000 4.500 0.000 peak 396 spectrum 1 weight 0.10000E+01 volume 0.26452E-02 ppm1 0.289 ppm2 6.886 CV 1 ASSI { 397} ( segid " A" and resid 158 and name HG2%) ( segid " A" and resid 132 and name HE% ) 6.000 4.500 0.000 peak 397 spectrum 1 weight 0.10000E+01 volume 0.89907E-03 ppm1 0.027 ppm2 6.869 CV 1 ASSI { 398} ( segid " A" and resid 173 and name HE% ) ( segid " A" and resid 132 and name HE% ) 6.000 4.500 0.000 peak 398 spectrum 1 weight 0.10000E+01 volume 0.40689E-02 ppm1 1.386 ppm2 6.875 CV 1 ASSI { 399} ( segid " A" and resid 128 and name HD1%) ( segid " A" and resid 132 and name HE% ) 6.000 4.500 0.000 peak 399 spectrum 1 weight 0.10000E+01 volume 0.13286E-02 ppm1 0.484 ppm2 6.860 CV 1 ASSI { 400} (( segid " A" and resid 120 and name HA )) ( segid " A" and resid 120 and name HE% ) 6.000 4.500 0.000 peak 400 spectrum 1 weight 0.10000E+01 volume 0.73887E-03 ppm1 4.428 ppm2 6.848 CV 1 ASSI { 401} (( segid " A" and resid 181 and name HD2 )) ( segid " A" and resid 120 and name HE% ) 6.000 4.500 0.000 peak 401 spectrum 1 weight 0.10000E+01 volume 0.80276E-03 ppm1 3.001 ppm2 6.838 CV 1 OR { 401} (( segid " A" and resid 181 and name HD1 )) ( segid " A" and resid 120 and name HE% ) ASSI { 402} (( segid " A" and resid 122 and name HG2 )) ( segid " A" and resid 120 and name HE% ) 6.000 4.500 0.000 peak 402 spectrum 1 weight 0.10000E+01 volume 0.70849E-03 ppm1 1.720 ppm2 6.834 CV 1 ASSI { 403} (( segid " A" and resid 122 and name HB2 )) ( segid " A" and resid 120 and name HE% ) 6.000 4.500 0.000 peak 403 spectrum 1 weight 0.10000E+01 volume 0.11545E-02 ppm1 2.152 ppm2 6.838 CV 1 ASSI { 404} (( segid " A" and resid 122 and name HB1 )) ( segid " A" and resid 120 and name HE% ) 6.000 4.500 0.000 peak 404 spectrum 1 weight 0.10000E+01 volume 0.79692E-03 ppm1 1.529 ppm2 6.840 CV 1 ASSI { 405} (( segid " A" and resid 225 and name HG11)) (( segid " A" and resid 229 and name HZ )) 6.000 4.500 0.000 peak 405 spectrum 1 weight 0.10000E+01 volume 0.25631E-02 ppm1 1.049 ppm2 6.838 CV 1 OR { 405} ( segid " A" and resid 280 and name HD1%) (( segid " A" and resid 229 and name HZ )) ASSI { 406} ( segid " A" and resid 123 and name HD2%) ( segid " A" and resid 120 and name HE% ) 6.000 4.500 0.000 peak 406 spectrum 1 weight 0.10000E+01 volume 0.95464E-03 ppm1 0.946 ppm2 6.851 CV 1 OR { 406} ( segid " A" and resid 123 and name HD2%) ( segid " A" and resid 132 and name HE% ) ASSI { 407} ( segid " A" and resid 168 and name HD1%) (( segid " A" and resid 172 and name HE22)) 6.000 4.500 0.000 peak 407 spectrum 1 weight 0.10000E+01 volume 0.85875E-03 ppm1 0.893 ppm2 6.852 CV 1 ASSI { 408} ( segid " A" and resid 123 and name HD1%) ( segid " A" and resid 120 and name HE% ) 6.000 4.500 0.000 peak 408 spectrum 1 weight 0.10000E+01 volume 0.38462E-02 ppm1 0.923 ppm2 6.837 CV 1 ASSI { 409} ( segid " A" and resid 169 and name HB% ) ( segid " A" and resid 132 and name HE% ) 6.000 4.500 0.000 peak 409 spectrum 1 weight 0.10000E+01 volume 0.30344E-02 ppm1 1.344 ppm2 6.857 CV 1 ASSI { 410} ( segid " A" and resid 119 and name HG2%) (( segid " A" and resid 152 and name HD2 )) 6.000 4.500 0.000 peak 410 spectrum 1 weight 0.10000E+01 volume 0.91713E-03 ppm1 0.690 ppm2 6.838 CV 1 ASSI { 411} ( segid " A" and resid 128 and name HG2%) ( segid " A" and resid 132 and name HE% ) 6.000 4.500 0.000 peak 411 spectrum 1 weight 0.10000E+01 volume 0.21177E-02 ppm1 0.535 ppm2 6.853 CV 1 ASSI { 412} ( segid " A" and resid 143 and name HE% ) (( segid " A" and resid 152 and name HD2 )) 6.000 4.500 0.000 peak 412 spectrum 1 weight 0.10000E+01 volume 0.24096E-02 ppm1 1.269 ppm2 6.851 CV 1 ASSI { 413} ( segid " A" and resid 119 and name HD1%) (( segid " A" and resid 152 and name HD2 )) 6.000 4.500 0.000 peak 413 spectrum 1 weight 0.10000E+01 volume 0.61509E-03 ppm1 0.241 ppm2 6.856 CV 1 OR { 413} ( segid " A" and resid 119 and name HD1%) ( segid " A" and resid 132 and name HE% ) ASSI { 414} (( segid " A" and resid 122 and name HA )) ( segid " A" and resid 121 and name HD% ) 6.000 4.500 0.000 peak 414 spectrum 1 weight 0.10000E+01 volume 0.75173E-03 ppm1 4.128 ppm2 6.814 CV 1 ASSI { 415} (( segid " A" and resid 137 and name HD1 )) ( segid " A" and resid 252 and name HE% ) 6.000 4.500 0.000 peak 415 spectrum 1 weight 0.10000E+01 volume 0.78708E-03 ppm1 3.473 ppm2 6.806 CV 1 OR { 415} (( segid " A" and resid 137 and name HD1 )) ( segid " A" and resid 160 and name HD% ) ASSI { 416} (( segid " A" and resid 122 and name HG1 )) ( segid " A" and resid 121 and name HD% ) 6.000 4.500 0.000 peak 416 spectrum 1 weight 0.10000E+01 volume 0.14075E-02 ppm1 1.821 ppm2 6.809 CV 1 ASSI { 417} ( segid " A" and resid 114 and name HG1%) ( segid " A" and resid 160 and name HD% ) 6.000 4.500 0.000 peak 417 spectrum 1 weight 0.10000E+01 volume 0.37403E-02 ppm1 0.886 ppm2 6.811 CV 1 ASSI { 418} (( segid " A" and resid 137 and name HA )) ( segid " A" and resid 160 and name HD% ) 6.000 4.500 0.000 peak 418 spectrum 1 weight 0.10000E+01 volume 0.62396E-03 ppm1 4.650 ppm2 6.795 CV 1 OR { 418} (( segid " A" and resid 137 and name HA )) ( segid " A" and resid 252 and name HE% ) ASSI { 419} (( segid " A" and resid 112 and name HA )) ( segid " A" and resid 160 and name HD% ) 6.000 4.500 0.000 peak 419 spectrum 1 weight 0.10000E+01 volume 0.75660E-03 ppm1 4.150 ppm2 6.790 CV 1 OR { 419} (( segid " A" and resid 229 and name HA )) ( segid " A" and resid 229 and name HE% ) ASSI { 420} (( segid " A" and resid 138 and name HA )) ( segid " A" and resid 160 and name HD% ) 6.000 4.500 0.000 peak 420 spectrum 1 weight 0.10000E+01 volume 0.85875E-03 ppm1 3.751 ppm2 6.784 CV 1 ASSI { 421} (( segid " A" and resid 160 and name HA )) ( segid " A" and resid 160 and name HD% ) 6.000 4.500 0.000 peak 421 spectrum 1 weight 0.10000E+01 volume 0.13642E-02 ppm1 5.119 ppm2 6.797 CV 1 ASSI { 422} (( segid " A" and resid 250 and name HA )) ( segid " A" and resid 252 and name HE% ) 6.000 4.500 0.000 peak 422 spectrum 1 weight 0.10000E+01 volume 0.87962E-03 ppm1 4.411 ppm2 6.799 CV 1 OR { 422} (( segid " A" and resid 250 and name HA )) ( segid " A" and resid 252 and name HD% ) ASSI { 423} (( segid " A" and resid 252 and name HA )) ( segid " A" and resid 252 and name HD% ) 6.000 4.500 0.000 peak 423 spectrum 1 weight 0.10000E+01 volume 0.68979E-03 ppm1 5.598 ppm2 6.803 CV 1 ASSI { 425} (( segid " A" and resid 166 and name HA )) ( segid " A" and resid 160 and name HD% ) 6.000 4.500 0.000 peak 425 spectrum 1 weight 0.10000E+01 volume 0.12929E-02 ppm1 3.637 ppm2 6.802 CV 1 ASSI { 426} (( segid " A" and resid 214 and name HA )) ( segid " A" and resid 252 and name HD% ) 6.000 4.500 0.000 peak 426 spectrum 1 weight 0.10000E+01 volume 0.69563E-03 ppm1 5.105 ppm2 6.805 CV 1 ASSI { 427} (( segid " A" and resid 137 and name HD2 )) ( segid " A" and resid 252 and name HE% ) 6.000 4.500 0.000 peak 427 spectrum 1 weight 0.10000E+01 volume 0.10810E-02 ppm1 3.188 ppm2 6.801 CV 1 ASSI { 430} (( segid " A" and resid 151 and name HE2 )) ( segid " A" and resid 121 and name HD% ) 6.000 4.500 0.000 peak 430 spectrum 1 weight 0.10000E+01 volume 0.19285E-02 ppm1 2.743 ppm2 6.792 CV 1 OR { 430} (( segid " A" and resid 151 and name HE1 )) ( segid " A" and resid 121 and name HD% ) ASSI { 431} (( segid " A" and resid 252 and name HB2 )) ( segid " A" and resid 252 and name HD% ) 6.000 4.500 0.000 peak 431 spectrum 1 weight 0.10000E+01 volume 0.21069E-02 ppm1 3.005 ppm2 6.804 CV 1 ASSI { 433} (( segid " A" and resid 121 and name HB2 )) ( segid " A" and resid 121 and name HD% ) 6.000 4.500 0.000 peak 433 spectrum 1 weight 0.10000E+01 volume 0.13913E-02 ppm1 2.816 ppm2 6.784 CV 1 ASSI { 434} (( segid " A" and resid 121 and name HB1 )) ( segid " A" and resid 121 and name HD% ) 6.000 4.500 0.000 peak 434 spectrum 1 weight 0.10000E+01 volume 0.12280E-02 ppm1 2.622 ppm2 6.784 CV 1 ASSI { 435} (( segid " A" and resid 162 and name HB )) ( segid " A" and resid 252 and name HE% ) 6.000 4.500 0.000 peak 435 spectrum 1 weight 0.10000E+01 volume 0.69963E-03 ppm1 2.197 ppm2 6.802 CV 1 OR { 435} (( segid " A" and resid 162 and name HB )) ( segid " A" and resid 252 and name HD% ) ASSI { 436} (( segid " A" and resid 213 and name HB )) ( segid " A" and resid 229 and name HE% ) 6.000 4.500 0.000 peak 436 spectrum 1 weight 0.10000E+01 volume 0.60623E-03 ppm1 1.223 ppm2 6.789 CV 1 ASSI { 437} (( segid " A" and resid 250 and name HB1 )) ( segid " A" and resid 252 and name HE% ) 6.000 4.500 0.000 peak 437 spectrum 1 weight 0.10000E+01 volume 0.64947E-03 ppm1 1.355 ppm2 6.795 CV 1 OR { 437} (( segid " A" and resid 250 and name HB1 )) ( segid " A" and resid 252 and name HD% ) ASSI { 438} (( segid " A" and resid 250 and name HD2 )) ( segid " A" and resid 252 and name HE% ) 6.000 4.500 0.000 peak 438 spectrum 1 weight 0.10000E+01 volume 0.17285E-02 ppm1 1.815 ppm2 6.798 CV 1 ASSI { 439} (( segid " A" and resid 250 and name HD1 )) ( segid " A" and resid 252 and name HE% ) 6.000 4.500 0.000 peak 439 spectrum 1 weight 0.10000E+01 volume 0.18118E-02 ppm1 1.735 ppm2 6.797 CV 1 ASSI { 440} (( segid " A" and resid 137 and name HG1 )) ( segid " A" and resid 252 and name HE% ) 6.000 4.500 0.000 peak 440 spectrum 1 weight 0.10000E+01 volume 0.17058E-02 ppm1 2.286 ppm2 6.799 CV 1 ASSI { 441} (( segid " A" and resid 137 and name HG2 )) ( segid " A" and resid 252 and name HE% ) 6.000 4.500 0.000 peak 441 spectrum 1 weight 0.10000E+01 volume 0.17956E-02 ppm1 2.210 ppm2 6.801 CV 1 ASSI { 442} (( segid " A" and resid 151 and name HD1 )) ( segid " A" and resid 121 and name HE% ) 6.000 4.500 0.000 peak 442 spectrum 1 weight 0.10000E+01 volume 0.55867E-03 ppm1 1.383 ppm2 6.783 CV 1 OR { 442} (( segid " A" and resid 151 and name HD1 )) ( segid " A" and resid 121 and name HD% ) ASSI { 443} (( segid " A" and resid 151 and name HD2 )) ( segid " A" and resid 121 and name HE% ) 6.000 4.500 0.000 peak 443 spectrum 1 weight 0.10000E+01 volume 0.63963E-03 ppm1 1.301 ppm2 6.790 CV 1 OR { 443} (( segid " A" and resid 151 and name HD2 )) ( segid " A" and resid 121 and name HD% ) ASSI { 445} ( segid " A" and resid 214 and name HB% ) ( segid " A" and resid 252 and name HD% ) 6.000 4.500 0.000 peak 445 spectrum 1 weight 0.10000E+01 volume 0.21317E-02 ppm1 1.272 ppm2 6.803 CV 1 ASSI { 446} ( segid " A" and resid 162 and name HG1%) ( segid " A" and resid 252 and name HE% ) 6.000 4.500 0.000 peak 446 spectrum 1 weight 0.10000E+01 volume 0.65163E-02 ppm1 1.058 ppm2 6.799 CV 1 ASSI { 447} ( segid " A" and resid 240 and name HD2%) ( segid " A" and resid 252 and name HD% ) 6.000 4.500 0.000 peak 447 spectrum 1 weight 0.10000E+01 volume 0.75660E-03 ppm1 0.085 ppm2 6.803 CV 1 OR { 447} ( segid " A" and resid 240 and name HD2%) ( segid " A" and resid 252 and name HE% ) ASSI { 448} ( segid " A" and resid 158 and name HG1%) ( segid " A" and resid 160 and name HD% ) 6.000 4.500 0.000 peak 448 spectrum 1 weight 0.10000E+01 volume 0.14950E-02 ppm1 0.130 ppm2 6.797 CV 1 ASSI { 449} ( segid " A" and resid 165 and name HB% ) ( segid " A" and resid 160 and name HD% ) 6.000 4.500 0.000 peak 449 spectrum 1 weight 0.10000E+01 volume 0.32819E-02 ppm1 0.647 ppm2 6.795 CV 1 ASSI { 450} ( segid " A" and resid 241 and name HB% ) ( segid " A" and resid 252 and name HE% ) 6.000 4.500 0.000 peak 450 spectrum 1 weight 0.10000E+01 volume 0.97475E-02 ppm1 0.778 ppm2 6.800 CV 1 OR { 450} ( segid " A" and resid 162 and name HG2%) ( segid " A" and resid 252 and name HE% ) OR { 450} ( segid " A" and resid 241 and name HB% ) ( segid " A" and resid 252 and name HD% ) ASSI { 451} ( segid " A" and resid 166 and name HB% ) ( segid " A" and resid 160 and name HD% ) 6.000 4.500 0.000 peak 451 spectrum 1 weight 0.10000E+01 volume 0.47305E-02 ppm1 1.459 ppm2 6.798 CV 1 ASSI { 452} ( segid " A" and resid 133 and name HB% ) ( segid " A" and resid 252 and name HD% ) 6.000 4.500 0.000 peak 452 spectrum 1 weight 0.10000E+01 volume 0.46894E-03 ppm1 1.613 ppm2 6.800 CV 1 OR { 452} ( segid " A" and resid 133 and name HB% ) ( segid " A" and resid 252 and name HE% ) OR { 452} ( segid " A" and resid 133 and name HB% ) ( segid " A" and resid 160 and name HD% ) ASSI { 453} ( segid " A" and resid 138 and name HD1%) ( segid " A" and resid 160 and name HD% ) 6.000 4.500 0.000 peak 453 spectrum 1 weight 0.10000E+01 volume 0.12680E-02 ppm1 0.759 ppm2 6.801 CV 1 ASSI { 454} (( segid " A" and resid 279 and name HA )) ( segid " A" and resid 279 and name HE% ) 6.000 4.500 0.000 peak 454 spectrum 1 weight 0.10000E+01 volume 0.65639E-03 ppm1 4.805 ppm2 6.751 CV 1 ASSI { 455} (( segid " A" and resid 274 and name HB1 )) ( segid " A" and resid 279 and name HE% ) 6.000 4.500 0.000 peak 455 spectrum 1 weight 0.10000E+01 volume 0.68190E-03 ppm1 2.198 ppm2 6.752 CV 1 ASSI { 456} ( segid " A" and resid 275 and name HD2%) ( segid " A" and resid 229 and name HE% ) 6.000 4.500 0.000 peak 456 spectrum 1 weight 0.10000E+01 volume 0.81649E-03 ppm1 0.966 ppm2 6.776 CV 1 OR { 456} ( segid " A" and resid 275 and name HD2%) ( segid " A" and resid 279 and name HE% ) ASSI { 457} (( segid " A" and resid 225 and name HG11)) ( segid " A" and resid 229 and name HE% ) 6.000 4.500 0.000 peak 457 spectrum 1 weight 0.10000E+01 volume 0.29479E-02 ppm1 1.050 ppm2 6.766 CV 1 OR { 457} ( segid " A" and resid 280 and name HD1%) ( segid " A" and resid 229 and name HE% ) ASSI { 458} ( segid " A" and resid 228 and name HG2%) ( segid " A" and resid 229 and name HE% ) 6.000 4.500 0.000 peak 458 spectrum 1 weight 0.10000E+01 volume 0.96718E-03 ppm1 0.470 ppm2 6.776 CV 1 ASSI { 459} ( segid " A" and resid 213 and name HG1%) ( segid " A" and resid 229 and name HE% ) 6.000 4.500 0.000 peak 459 spectrum 1 weight 0.10000E+01 volume 0.37684E-02 ppm1 0.341 ppm2 6.773 CV 1 ASSI { 460} ( segid " A" and resid 213 and name HG2%) ( segid " A" and resid 229 and name HE% ) 6.000 4.500 0.000 peak 460 spectrum 1 weight 0.10000E+01 volume 0.38851E-02 ppm1 0.405 ppm2 6.775 CV 1 ASSI { 461} ( segid " A" and resid 225 and name HG2%) ( segid " A" and resid 229 and name HE% ) 6.000 4.500 0.000 peak 461 spectrum 1 weight 0.10000E+01 volume 0.25977E-02 ppm1 0.614 ppm2 6.757 CV 1 ASSI { 462} ( segid " A" and resid 270 and name HE% ) ( segid " A" and resid 229 and name HE% ) 6.000 4.500 0.000 peak 462 spectrum 1 weight 0.10000E+01 volume 0.30495E-02 ppm1 0.183 ppm2 6.770 CV 1 ASSI { 463} ( segid " A" and resid 225 and name HD1%) ( segid " A" and resid 229 and name HE% ) 6.000 4.500 0.000 peak 463 spectrum 1 weight 0.10000E+01 volume 0.15761E-02 ppm1 0.634 ppm2 6.763 CV 1 ASSI { 464} (( segid " A" and resid 274 and name HA )) ( segid " A" and resid 279 and name HE% ) 6.000 4.500 0.000 peak 464 spectrum 1 weight 0.10000E+01 volume 0.10603E-02 ppm1 4.308 ppm2 6.749 CV 1 ASSI { 465} (( segid " A" and resid 274 and name HB2 )) ( segid " A" and resid 279 and name HE% ) 6.000 4.500 0.000 peak 465 spectrum 1 weight 0.10000E+01 volume 0.65639E-03 ppm1 2.474 ppm2 6.742 CV 1 ASSI { 467} ( segid " A" and resid 255 and name HD1%) ( segid " A" and resid 229 and name HE% ) 6.000 4.500 0.000 peak 467 spectrum 1 weight 0.10000E+01 volume 0.13048E-02 ppm1 -0.125 ppm2 6.739 CV 1 ASSI { 468} (( segid " A" and resid 263 and name HB2 )) ( segid " A" and resid 257 and name HE% ) 6.000 4.500 0.000 peak 468 spectrum 1 weight 0.10000E+01 volume 0.82827E-03 ppm1 3.761 ppm2 6.670 CV 1 ASSI { 469} ( segid " A" and resid 266 and name HB% ) ( segid " A" and resid 257 and name HE% ) 6.000 4.500 0.000 peak 469 spectrum 1 weight 0.10000E+01 volume 0.29479E-02 ppm1 1.248 ppm2 6.677 CV 1 ASSI { 470} (( segid " A" and resid 230 and name HA )) ( segid " A" and resid 257 and name HE% ) 6.000 4.500 0.000 peak 470 spectrum 1 weight 0.10000E+01 volume 0.88383E-03 ppm1 5.051 ppm2 6.653 CV 1 ASSI { 471} ( segid " A" and resid 211 and name HG2%) ( segid " A" and resid 257 and name HE% ) 6.000 4.500 0.000 peak 471 spectrum 1 weight 0.10000E+01 volume 0.14129E-02 ppm1 0.959 ppm2 6.655 CV 1 ASSI { 472} ( segid " A" and resid 255 and name HG2%) ( segid " A" and resid 257 and name HE% ) 6.000 4.500 0.000 peak 472 spectrum 1 weight 0.10000E+01 volume 0.15253E-02 ppm1 0.220 ppm2 6.647 CV 1 ASSI { 473} ( segid " A" and resid 211 and name HD1%) ( segid " A" and resid 257 and name HE% ) 6.000 4.500 0.000 peak 473 spectrum 1 weight 0.10000E+01 volume 0.32538E-02 ppm1 0.739 ppm2 6.662 CV 1 ASSI { 474} ( segid " A" and resid 235 and name HD1%) ( segid " A" and resid 257 and name HE% ) 6.000 4.500 0.000 peak 474 spectrum 1 weight 0.10000E+01 volume 0.14150E-02 ppm1 0.675 ppm2 6.652 CV 1 ASSI { 475} ( segid " A" and resid 165 and name HB% ) ( segid " A" and resid 212 and name HE% ) 6.000 4.500 0.000 peak 475 spectrum 1 weight 0.10000E+01 volume 0.89486E-03 ppm1 0.645 ppm2 6.562 CV 1 ASSI { 476} (( segid " A" and resid 135 and name HA )) (( segid " A" and resid 135 and name HN )) 6.000 4.500 0.000 peak 476 spectrum 1 weight 0.10000E+01 volume 0.90329E-03 ppm1 3.870 ppm2 6.533 CV 1 ASSI { 477} ( segid " A" and resid 168 and name HD1%) ( segid " A" and resid 212 and name HE% ) 6.000 4.500 0.000 peak 477 spectrum 1 weight 0.10000E+01 volume 0.18096E-02 ppm1 0.897 ppm2 6.538 CV 1 ASSI { 478} ( segid " A" and resid 214 and name HB% ) ( segid " A" and resid 212 and name HE% ) 6.000 4.500 0.000 peak 478 spectrum 1 weight 0.10000E+01 volume 0.25350E-02 ppm1 1.272 ppm2 6.542 CV 1 ASSI { 479} ( segid " A" and resid 162 and name HG1%) ( segid " A" and resid 212 and name HE% ) 6.000 4.500 0.000 peak 479 spectrum 1 weight 0.10000E+01 volume 0.13934E-02 ppm1 1.058 ppm2 6.550 CV 1 ASSI { 480} ( segid " A" and resid 162 and name HG2%) ( segid " A" and resid 212 and name HE% ) 6.000 4.500 0.000 peak 480 spectrum 1 weight 0.10000E+01 volume 0.28971E-02 ppm1 0.778 ppm2 6.553 CV 1 ASSI { 481} (( segid " A" and resid 135 and name HB1 )) (( segid " A" and resid 135 and name HN )) 6.000 4.500 0.000 peak 481 spectrum 1 weight 0.10000E+01 volume 0.52245E-03 ppm1 3.453 ppm2 6.511 CV 1 ASSI { 482} ( segid " A" and resid 168 and name HD2%) (( segid " A" and resid 135 and name HN )) 6.000 4.500 0.000 peak 482 spectrum 1 weight 0.10000E+01 volume 0.23739E-02 ppm1 1.013 ppm2 6.520 CV 1 OR { 482} ( segid " A" and resid 168 and name HD2%) (( segid " A" and resid 271 and name HD22)) OR { 482} ( segid " A" and resid 280 and name HD1%) (( segid " A" and resid 271 and name HD22)) ASSI { 483} ( segid " A" and resid 169 and name HB% ) (( segid " A" and resid 135 and name HN )) 6.000 4.500 0.000 peak 483 spectrum 1 weight 0.10000E+01 volume 0.61704E-03 ppm1 1.347 ppm2 6.514 CV 1 ASSI { 484} ( segid " A" and resid 133 and name HB% ) (( segid " A" and resid 135 and name HN )) 6.000 4.500 0.000 peak 484 spectrum 1 weight 0.10000E+01 volume 0.77627E-03 ppm1 1.609 ppm2 6.523 CV 1 ASSI { 485} ( segid " A" and resid 168 and name HD2%) ( segid " A" and resid 212 and name HD% ) 6.000 4.500 0.000 peak 485 spectrum 1 weight 0.10000E+01 volume 0.23371E-02 ppm1 1.013 ppm2 6.474 CV 1 ASSI { 486} ( segid " A" and resid 168 and name HD1%) ( segid " A" and resid 212 and name HD% ) 6.000 4.500 0.000 peak 486 spectrum 1 weight 0.10000E+01 volume 0.17199E-02 ppm1 0.897 ppm2 6.465 CV 1 ASSI { 487} (( segid " A" and resid 155 and name HB1 )) ( segid " A" and resid 115 and name HD% ) 6.000 4.500 0.000 peak 487 spectrum 1 weight 0.10000E+01 volume 0.99907E-03 ppm1 2.985 ppm2 6.374 CV 1 OR { 487} (( segid " A" and resid 184 and name HE2 )) ( segid " A" and resid 115 and name HD% ) ASSI { 488} (( segid " A" and resid 115 and name HB1 )) ( segid " A" and resid 115 and name HD% ) 6.000 4.500 0.000 peak 488 spectrum 1 weight 0.10000E+01 volume 0.74676E-03 ppm1 2.467 ppm2 6.380 CV 1 ASSI { 489} ( segid " A" and resid 185 and name HG1%) ( segid " A" and resid 115 and name HD% ) 6.000 4.500 0.000 peak 489 spectrum 1 weight 0.10000E+01 volume 0.83519E-03 ppm1 0.985 ppm2 6.387 CV 1 ASSI { 491} (( segid " A" and resid 162 and name HB )) (( segid " A" and resid 165 and name HN )) 6.000 4.500 0.000 peak 491 spectrum 1 weight 0.10000E+01 volume 0.62688E-03 ppm1 2.200 ppm2 6.314 CV 1 ASSI { 493} (( segid " A" and resid 164 and name HA )) (( segid " A" and resid 165 and name HN )) 6.000 4.500 0.000 peak 493 spectrum 1 weight 0.10000E+01 volume 0.57391E-03 ppm1 3.306 ppm2 6.299 CV 1 ASSI { 494} (( segid " A" and resid 165 and name HA )) (( segid " A" and resid 165 and name HN )) 6.000 4.500 0.000 peak 494 spectrum 1 weight 0.10000E+01 volume 0.17620E-02 ppm1 3.636 ppm2 6.311 CV 1 ASSI { 495} ( segid " A" and resid 168 and name HD2%) (( segid " A" and resid 165 and name HN )) 6.000 4.500 0.000 peak 495 spectrum 1 weight 0.10000E+01 volume 0.20539E-02 ppm1 1.013 ppm2 6.311 CV 1 ASSI { 496} ( segid " A" and resid 168 and name HD1%) (( segid " A" and resid 165 and name HN )) 6.000 4.500 0.000 peak 496 spectrum 1 weight 0.10000E+01 volume 0.14053E-02 ppm1 0.895 ppm2 6.303 CV 1 ASSI { 497} ( segid " A" and resid 214 and name HB% ) (( segid " A" and resid 165 and name HN )) 6.000 4.500 0.000 peak 497 spectrum 1 weight 0.10000E+01 volume 0.17869E-02 ppm1 1.272 ppm2 6.305 CV 1 ASSI { 498} ( segid " A" and resid 162 and name HG1%) (( segid " A" and resid 165 and name HN )) 6.000 4.500 0.000 peak 498 spectrum 1 weight 0.10000E+01 volume 0.39522E-02 ppm1 1.058 ppm2 6.303 CV 1 ASSI { 499} ( segid " A" and resid 162 and name HG2%) (( segid " A" and resid 165 and name HN )) 6.000 4.500 0.000 peak 499 spectrum 1 weight 0.10000E+01 volume 0.92599E-02 ppm1 0.778 ppm2 6.304 CV 1 ASSI { 500} ( segid " A" and resid 165 and name HB% ) (( segid " A" and resid 165 and name HN )) 6.000 4.500 0.000 peak 500 spectrum 1 weight 0.10000E+01 volume 0.51251E-02 ppm1 0.647 ppm2 6.303 CV 1 ASSI { 501} ( segid " A" and resid 166 and name HB% ) (( segid " A" and resid 165 and name HN )) 6.000 4.500 0.000 peak 501 spectrum 1 weight 0.10000E+01 volume 0.21847E-02 ppm1 1.461 ppm2 6.305 CV 1 ASSI { 502} ( segid " A" and resid 169 and name HB% ) (( segid " A" and resid 165 and name HN )) 6.000 4.500 0.000 peak 502 spectrum 1 weight 0.10000E+01 volume 0.99215E-03 ppm1 1.346 ppm2 6.306 CV 1 ASSI { 503} (( segid " A" and resid 155 and name HB1 )) ( segid " A" and resid 115 and name HE% ) 6.000 4.500 0.000 peak 503 spectrum 1 weight 0.10000E+01 volume 0.12021E-02 ppm1 2.983 ppm2 6.219 CV 1 ASSI { 504} (( segid " A" and resid 184 and name HD2 )) ( segid " A" and resid 115 and name HE% ) 6.000 4.500 0.000 peak 504 spectrum 1 weight 0.10000E+01 volume 0.98523E-03 ppm1 1.730 ppm2 6.222 CV 1 OR { 504} (( segid " A" and resid 184 and name HD1 )) ( segid " A" and resid 115 and name HE% ) ASSI { 508} ( segid " A" and resid 162 and name HG1%) (( segid " A" and resid 166 and name HN )) 6.000 4.500 0.000 peak 508 spectrum 1 weight 0.10000E+01 volume 0.13869E-02 ppm1 1.057 ppm2 5.937 CV 1 OR { 508} ( segid " A" and resid 287 and name HG2%) (( segid " A" and resid 166 and name HN )) ASSI { 509} (( segid " A" and resid 163 and name HA )) (( segid " A" and resid 166 and name HN )) 6.000 4.500 0.000 peak 509 spectrum 1 weight 0.10000E+01 volume 0.73206E-03 ppm1 4.137 ppm2 5.926 CV 1 ASSI { 510} (( segid " A" and resid 165 and name HA )) (( segid " A" and resid 166 and name HN )) 6.000 4.500 0.000 peak 510 spectrum 1 weight 0.10000E+01 volume 0.14204E-02 ppm1 3.633 ppm2 5.922 CV 1 ASSI { 511} ( segid " A" and resid 114 and name HG2%) (( segid " A" and resid 166 and name HN )) 6.000 4.500 0.000 peak 511 spectrum 1 weight 0.10000E+01 volume 0.95323E-03 ppm1 0.918 ppm2 5.919 CV 1 ASSI { 512} ( segid " A" and resid 114 and name HG1%) (( segid " A" and resid 166 and name HN )) 6.000 4.500 0.000 peak 512 spectrum 1 weight 0.10000E+01 volume 0.10325E-02 ppm1 0.885 ppm2 5.915 CV 1 ASSI { 513} ( segid " A" and resid 162 and name HG2%) (( segid " A" and resid 166 and name HN )) 6.000 4.500 0.000 peak 513 spectrum 1 weight 0.10000E+01 volume 0.23371E-02 ppm1 0.778 ppm2 5.927 CV 1 ASSI { 514} ( segid " A" and resid 165 and name HB% ) (( segid " A" and resid 166 and name HN )) 6.000 4.500 0.000 peak 514 spectrum 1 weight 0.10000E+01 volume 0.29836E-02 ppm1 0.649 ppm2 5.918 CV 1 ASSI { 515} ( segid " A" and resid 166 and name HB% ) (( segid " A" and resid 166 and name HN )) 6.000 4.500 0.000 peak 515 spectrum 1 weight 0.10000E+01 volume 0.69595E-02 ppm1 1.462 ppm2 5.916 CV 1 ASSI { 516} ( segid " A" and resid 169 and name HB% ) (( segid " A" and resid 166 and name HN )) 6.000 4.500 0.000 peak 516 spectrum 1 weight 0.10000E+01 volume 0.58083E-03 ppm1 1.348 ppm2 5.916 CV 1 ASSI { 517} (( segid " A" and resid 210 and name HB1 )) (( segid " A" and resid 210 and name HA )) 6.000 4.500 0.000 peak 517 spectrum 1 weight 0.10000E+01 volume 0.50861E-03 ppm1 1.637 ppm2 5.756 CV 1 ASSI { 518} (( segid " A" and resid 212 and name HA )) (( segid " A" and resid 254 and name HA )) 6.000 4.500 0.000 peak 518 spectrum 1 weight 0.10000E+01 volume 0.67498E-03 ppm1 4.721 ppm2 5.721 CV 1 ASSI { 519} (( segid " A" and resid 256 and name HA )) (( segid " A" and resid 210 and name HA )) 6.000 4.500 0.000 peak 519 spectrum 1 weight 0.10000E+01 volume 0.11848E-02 ppm1 5.026 ppm2 5.732 CV 1 ASSI { 520} (( segid " A" and resid 254 and name HB2 )) (( segid " A" and resid 254 and name HA )) 6.000 4.500 0.000 peak 520 spectrum 1 weight 0.10000E+01 volume 0.79692E-03 ppm1 2.751 ppm2 5.724 CV 1 ASSI { 521} (( segid " A" and resid 254 and name HB1 )) (( segid " A" and resid 254 and name HA )) 6.000 4.500 0.000 peak 521 spectrum 1 weight 0.10000E+01 volume 0.68687E-03 ppm1 2.712 ppm2 5.727 CV 1 ASSI { 522} (( segid " A" and resid 210 and name HB2 )) (( segid " A" and resid 210 and name HA )) 6.000 4.500 0.000 peak 522 spectrum 1 weight 0.10000E+01 volume 0.60623E-03 ppm1 1.864 ppm2 5.722 CV 1 ASSI { 523} (( segid " A" and resid 210 and name HG2 )) (( segid " A" and resid 210 and name HA )) 6.000 4.500 0.000 peak 523 spectrum 1 weight 0.10000E+01 volume 0.60309E-03 ppm1 1.705 ppm2 5.733 CV 1 ASSI { 524} (( segid " A" and resid 210 and name HG1 )) (( segid " A" and resid 210 and name HA )) 6.000 4.500 0.000 peak 524 spectrum 1 weight 0.10000E+01 volume 0.58850E-03 ppm1 1.466 ppm2 5.730 CV 1 ASSI { 525} ( segid " A" and resid 213 and name HG1%) (( segid " A" and resid 254 and name HA )) 6.000 4.500 0.000 peak 525 spectrum 1 weight 0.10000E+01 volume 0.10325E-02 ppm1 0.342 ppm2 5.723 CV 1 ASSI { 526} ( segid " A" and resid 285 and name HB% ) (( segid " A" and resid 210 and name HA )) 6.000 4.500 0.000 peak 526 spectrum 1 weight 0.10000E+01 volume 0.12680E-02 ppm1 1.513 ppm2 5.724 CV 1 ASSI { 527} ( segid " A" and resid 211 and name HG2%) (( segid " A" and resid 210 and name HA )) 6.000 4.500 0.000 peak 527 spectrum 1 weight 0.10000E+01 volume 0.10311E-02 ppm1 0.959 ppm2 5.737 CV 1 ASSI { 528} ( segid " A" and resid 255 and name HG2%) (( segid " A" and resid 210 and name HA )) 6.000 4.500 0.000 peak 528 spectrum 1 weight 0.10000E+01 volume 0.80276E-03 ppm1 0.216 ppm2 5.731 CV 1 OR { 528} ( segid " A" and resid 255 and name HG2%) (( segid " A" and resid 254 and name HA )) ASSI { 529} ( segid " A" and resid 211 and name HD1%) (( segid " A" and resid 210 and name HA )) 6.000 4.500 0.000 peak 529 spectrum 1 weight 0.10000E+01 volume 0.69866E-03 ppm1 0.735 ppm2 5.725 CV 1 OR { 529} ( segid " A" and resid 211 and name HD1%) (( segid " A" and resid 254 and name HA )) ASSI { 530} ( segid " A" and resid 255 and name HD1%) (( segid " A" and resid 254 and name HA )) 6.000 4.500 0.000 peak 530 spectrum 1 weight 0.10000E+01 volume 0.62201E-03 ppm1 -0.123 ppm2 5.728 CV 1 ASSI { 531} ( segid " A" and resid 213 and name HG2%) (( segid " A" and resid 254 and name HA )) 6.000 4.500 0.000 peak 531 spectrum 1 weight 0.10000E+01 volume 0.10631E-02 ppm1 0.405 ppm2 5.705 CV 1 ASSI { 532} (( segid " A" and resid 214 and name HA )) (( segid " A" and resid 252 and name HA )) 6.000 4.500 0.000 peak 532 spectrum 1 weight 0.10000E+01 volume 0.13621E-02 ppm1 5.099 ppm2 5.610 CV 1 ASSI { 533} (( segid " A" and resid 252 and name HB2 )) (( segid " A" and resid 252 and name HA )) 6.000 4.500 0.000 peak 533 spectrum 1 weight 0.10000E+01 volume 0.54613E-03 ppm1 3.001 ppm2 5.608 CV 1 ASSI { 534} ( segid " A" and resid 214 and name HB% ) (( segid " A" and resid 252 and name HA )) 6.000 4.500 0.000 peak 534 spectrum 1 weight 0.10000E+01 volume 0.22593E-02 ppm1 1.272 ppm2 5.616 CV 1 ASSI { 535} ( segid " A" and resid 240 and name HD2%) (( segid " A" and resid 252 and name HA )) 6.000 4.500 0.000 peak 535 spectrum 1 weight 0.10000E+01 volume 0.77335E-03 ppm1 0.086 ppm2 5.614 CV 1 ASSI { 536} ( segid " A" and resid 216 and name HG2%) (( segid " A" and resid 252 and name HA )) 6.000 4.500 0.000 peak 536 spectrum 1 weight 0.10000E+01 volume 0.18399E-02 ppm1 0.376 ppm2 5.609 CV 1 ASSI { 537} (( segid " A" and resid 117 and name HA2 )) (( segid " A" and resid 155 and name HA )) 6.000 4.500 0.000 peak 537 spectrum 1 weight 0.10000E+01 volume 0.58710E-03 ppm1 3.535 ppm2 5.532 CV 1 ASSI { 538} (( segid " A" and resid 155 and name HB1 )) (( segid " A" and resid 155 and name HA )) 6.000 4.500 0.000 peak 538 spectrum 1 weight 0.10000E+01 volume 0.91713E-03 ppm1 2.978 ppm2 5.537 CV 1 ASSI { 539} (( segid " A" and resid 155 and name HB2 )) (( segid " A" and resid 155 and name HA )) 6.000 4.500 0.000 peak 539 spectrum 1 weight 0.10000E+01 volume 0.70255E-03 ppm1 2.744 ppm2 5.535 CV 1 ASSI { 540} ( segid " A" and resid 119 and name HG2%) (( segid " A" and resid 155 and name HA )) 6.000 4.500 0.000 peak 540 spectrum 1 weight 0.10000E+01 volume 0.59682E-03 ppm1 0.687 ppm2 5.539 CV 1 ASSI { 541} ( segid " A" and resid 119 and name HD1%) (( segid " A" and resid 155 and name HA )) 6.000 4.500 0.000 peak 541 spectrum 1 weight 0.10000E+01 volume 0.13264E-02 ppm1 0.238 ppm2 5.523 CV 1 ASSI { 543} (( segid " A" and resid 157 and name HB2 )) (( segid " A" and resid 157 and name HA )) 6.000 4.500 0.000 peak 543 spectrum 1 weight 0.10000E+01 volume 0.70644E-03 ppm1 2.762 ppm2 5.470 CV 1 ASSI { 544} (( segid " A" and resid 157 and name HB1 )) (( segid " A" and resid 157 and name HA )) 6.000 4.500 0.000 peak 544 spectrum 1 weight 0.10000E+01 volume 0.10422E-02 ppm1 2.929 ppm2 5.459 CV 1 ASSI { 545} ( segid " A" and resid 158 and name HG2%) (( segid " A" and resid 157 and name HA )) 6.000 4.500 0.000 peak 545 spectrum 1 weight 0.10000E+01 volume 0.12032E-02 ppm1 0.033 ppm2 5.452 CV 1 ASSI { 546} (( segid " A" and resid 158 and name HB )) (( segid " A" and resid 157 and name HA )) 6.000 4.500 0.000 peak 546 spectrum 1 weight 0.10000E+01 volume 0.53640E-03 ppm1 1.429 ppm2 5.431 CV 1 ASSI { 548} ( segid " A" and resid 211 and name HD1%) (( segid " A" and resid 282 and name HA )) 6.000 4.500 0.000 peak 548 spectrum 1 weight 0.10000E+01 volume 0.50516E-03 ppm1 0.740 ppm2 5.391 CV 1 ASSI { 549} (( segid " A" and resid 114 and name HA )) (( segid " A" and resid 113 and name HA )) 6.000 4.500 0.000 peak 549 spectrum 1 weight 0.10000E+01 volume 0.64061E-03 ppm1 4.720 ppm2 5.372 CV 1 ASSI { 550} (( segid " A" and resid 213 and name HA )) (( segid " A" and resid 282 and name HA )) 6.000 4.500 0.000 peak 550 spectrum 1 weight 0.10000E+01 volume 0.11729E-02 ppm1 4.601 ppm2 5.373 CV 1 ASSI { 552} (( segid " A" and resid 242 and name HA )) (( segid " A" and resid 249 and name HA )) 6.000 4.500 0.000 peak 552 spectrum 1 weight 0.10000E+01 volume 0.27393E-02 ppm1 4.710 ppm2 5.373 CV 1 ASSI { 553} (( segid " A" and resid 159 and name HA )) (( segid " A" and resid 113 and name HA )) 6.000 4.500 0.000 peak 553 spectrum 1 weight 0.10000E+01 volume 0.11134E-02 ppm1 5.004 ppm2 5.361 CV 1 ASSI { 554} (( segid " A" and resid 113 and name HD2 )) (( segid " A" and resid 113 and name HA )) 6.000 4.500 0.000 peak 554 spectrum 1 weight 0.10000E+01 volume 0.56277E-03 ppm1 3.076 ppm2 5.377 CV 1 ASSI { 555} (( segid " A" and resid 242 and name HD2 )) (( segid " A" and resid 249 and name HA )) 6.000 4.500 0.000 peak 555 spectrum 1 weight 0.10000E+01 volume 0.12464E-02 ppm1 3.025 ppm2 5.369 CV 1 ASSI { 556} (( segid " A" and resid 242 and name HD1 )) (( segid " A" and resid 249 and name HA )) 6.000 4.500 0.000 peak 556 spectrum 1 weight 0.10000E+01 volume 0.16215E-02 ppm1 2.958 ppm2 5.375 CV 1 ASSI { 557} (( segid " A" and resid 159 and name HG2 )) (( segid " A" and resid 113 and name HA )) 6.000 4.500 0.000 peak 557 spectrum 1 weight 0.10000E+01 volume 0.46267E-03 ppm1 2.013 ppm2 5.360 CV 1 OR { 557} (( segid " A" and resid 159 and name HG1 )) (( segid " A" and resid 113 and name HA )) ASSI { 558} (( segid " A" and resid 282 and name HB )) (( segid " A" and resid 282 and name HA )) 6.000 4.500 0.000 peak 558 spectrum 1 weight 0.10000E+01 volume 0.73790E-03 ppm1 1.784 ppm2 5.377 CV 1 ASSI { 559} (( segid " A" and resid 114 and name HB )) (( segid " A" and resid 185 and name HA )) 6.000 4.500 0.000 peak 559 spectrum 1 weight 0.10000E+01 volume 0.61704E-03 ppm1 2.095 ppm2 5.372 CV 1 OR { 559} (( segid " A" and resid 114 and name HB )) (( segid " A" and resid 113 and name HA )) ASSI { 560} (( segid " A" and resid 213 and name HB )) (( segid " A" and resid 282 and name HA )) 6.000 4.500 0.000 peak 560 spectrum 1 weight 0.10000E+01 volume 0.62688E-03 ppm1 1.213 ppm2 5.365 CV 1 ASSI { 561} (( segid " A" and resid 113 and name HB1 )) (( segid " A" and resid 113 and name HA )) 6.000 4.500 0.000 peak 561 spectrum 1 weight 0.10000E+01 volume 0.11783E-02 ppm1 1.800 ppm2 5.361 CV 1 ASSI { 562} (( segid " A" and resid 113 and name HB2 )) (( segid " A" and resid 113 and name HA )) 6.000 4.500 0.000 peak 562 spectrum 1 weight 0.10000E+01 volume 0.13242E-02 ppm1 1.735 ppm2 5.369 CV 1 ASSI { 563} (( segid " A" and resid 242 and name HB2 )) (( segid " A" and resid 249 and name HA )) 6.000 4.500 0.000 peak 563 spectrum 1 weight 0.10000E+01 volume 0.59337E-03 ppm1 1.388 ppm2 5.368 CV 1 ASSI { 564} (( segid " A" and resid 242 and name HB1 )) (( segid " A" and resid 249 and name HA )) 6.000 4.500 0.000 peak 564 spectrum 1 weight 0.10000E+01 volume 0.67304E-03 ppm1 1.630 ppm2 5.363 CV 1 ASSI { 566} (( segid " A" and resid 249 and name HB1 )) (( segid " A" and resid 249 and name HA )) 6.000 4.500 0.000 peak 566 spectrum 1 weight 0.10000E+01 volume 0.67401E-03 ppm1 3.279 ppm2 5.373 CV 1 ASSI { 568} (( segid " A" and resid 249 and name HB2 )) (( segid " A" and resid 249 and name HA )) 6.000 4.500 0.000 peak 568 spectrum 1 weight 0.10000E+01 volume 0.69768E-03 ppm1 2.564 ppm2 5.367 CV 1 ASSI { 569} (( segid " A" and resid 113 and name HG2 )) (( segid " A" and resid 113 and name HA )) 6.000 4.500 0.000 peak 569 spectrum 1 weight 0.10000E+01 volume 0.12853E-02 ppm1 1.732 ppm2 5.372 CV 1 ASSI { 570} (( segid " A" and resid 113 and name HG1 )) (( segid " A" and resid 113 and name HA )) 6.000 4.500 0.000 peak 570 spectrum 1 weight 0.10000E+01 volume 0.93940E-03 ppm1 1.381 ppm2 5.365 CV 1 ASSI { 571} (( segid " A" and resid 242 and name HG1 )) (( segid " A" and resid 249 and name HA )) 6.000 4.500 0.000 peak 571 spectrum 1 weight 0.10000E+01 volume 0.11199E-02 ppm1 1.589 ppm2 5.369 CV 1 ASSI { 572} (( segid " A" and resid 242 and name HG2 )) (( segid " A" and resid 249 and name HA )) 6.000 4.500 0.000 peak 572 spectrum 1 weight 0.10000E+01 volume 0.13891E-02 ppm1 1.333 ppm2 5.374 CV 1 ASSI { 573} ( segid " A" and resid 168 and name HD2%) (( segid " A" and resid 282 and name HA )) 6.000 4.500 0.000 peak 573 spectrum 1 weight 0.10000E+01 volume 0.11729E-02 ppm1 1.012 ppm2 5.368 CV 1 ASSI { 574} ( segid " A" and resid 240 and name HD1%) (( segid " A" and resid 249 and name HA )) 6.000 4.500 0.000 peak 574 spectrum 1 weight 0.10000E+01 volume 0.67304E-03 ppm1 -0.083 ppm2 5.372 CV 1 ASSI { 575} ( segid " A" and resid 168 and name HD1%) (( segid " A" and resid 282 and name HA )) 6.000 4.500 0.000 peak 575 spectrum 1 weight 0.10000E+01 volume 0.12994E-02 ppm1 0.895 ppm2 5.364 CV 1 ASSI { 576} ( segid " A" and resid 114 and name HG2%) (( segid " A" and resid 185 and name HA )) 6.000 4.500 0.000 peak 576 spectrum 1 weight 0.10000E+01 volume 0.22431E-02 ppm1 0.922 ppm2 5.363 CV 1 ASSI { 577} ( segid " A" and resid 185 and name HG1%) (( segid " A" and resid 185 and name HA )) 6.000 4.500 0.000 peak 577 spectrum 1 weight 0.10000E+01 volume 0.12778E-01 ppm1 0.987 ppm2 5.359 CV 1 OR { 577} ( segid " A" and resid 185 and name HG2%) (( segid " A" and resid 185 and name HA )) ASSI { 578} ( segid " A" and resid 213 and name HG1%) (( segid " A" and resid 282 and name HA )) 6.000 4.500 0.000 peak 578 spectrum 1 weight 0.10000E+01 volume 0.19534E-02 ppm1 0.339 ppm2 5.379 CV 1 ASSI { 579} ( segid " A" and resid 213 and name HG2%) (( segid " A" and resid 282 and name HA )) 6.000 4.500 0.000 peak 579 spectrum 1 weight 0.10000E+01 volume 0.16918E-02 ppm1 0.405 ppm2 5.376 CV 1 ASSI { 580} ( segid " A" and resid 114 and name HG1%) (( segid " A" and resid 185 and name HA )) 6.000 4.500 0.000 peak 580 spectrum 1 weight 0.10000E+01 volume 0.25425E-02 ppm1 0.886 ppm2 5.375 CV 1 ASSI { 581} ( segid " A" and resid 241 and name HB% ) (( segid " A" and resid 249 and name HA )) 6.000 4.500 0.000 peak 581 spectrum 1 weight 0.10000E+01 volume 0.62980E-03 ppm1 0.780 ppm2 5.363 CV 1 ASSI { 582} ( segid " A" and resid 166 and name HB% ) (( segid " A" and resid 113 and name HA )) 6.000 4.500 0.000 peak 582 spectrum 1 weight 0.10000E+01 volume 0.53078E-03 ppm1 1.464 ppm2 5.357 CV 1 ASSI { 583} (( segid " A" and resid 116 and name HA )) (( segid " A" and resid 185 and name HA )) 6.000 4.500 0.000 peak 583 spectrum 1 weight 0.10000E+01 volume 0.17674E-02 ppm1 4.577 ppm2 5.350 CV 1 ASSI { 584} (( segid " A" and resid 185 and name HB )) (( segid " A" and resid 185 and name HA )) 6.000 4.500 0.000 peak 584 spectrum 1 weight 0.10000E+01 volume 0.16291E-02 ppm1 1.879 ppm2 5.345 CV 1 ASSI { 585} ( segid " A" and resid 170 and name HD2%) (( segid " A" and resid 185 and name HA )) 6.000 4.500 0.000 peak 585 spectrum 1 weight 0.10000E+01 volume 0.15426E-02 ppm1 0.802 ppm2 5.347 CV 1 OR { 585} ( segid " A" and resid 170 and name HD1%) (( segid " A" and resid 185 and name HA )) ASSI { 586} ( segid " A" and resid 116 and name HG1%) (( segid " A" and resid 185 and name HA )) 6.000 4.500 0.000 peak 586 spectrum 1 weight 0.10000E+01 volume 0.13123E-02 ppm1 0.290 ppm2 5.354 CV 1 ASSI { 587} (( segid " A" and resid 250 and name HE1 )) (( segid " A" and resid 249 and name HA )) 6.000 4.500 0.000 peak 587 spectrum 1 weight 0.10000E+01 volume 0.81065E-03 ppm1 2.983 ppm2 5.353 CV 1 OR { 587} (( segid " A" and resid 184 and name HE2 )) (( segid " A" and resid 185 and name HA )) OR { 587} (( segid " A" and resid 184 and name HE1 )) (( segid " A" and resid 185 and name HA )) OR { 587} (( segid " A" and resid 273 and name HB2 )) (( segid " A" and resid 282 and name HA )) ASSI { 590} (( segid " A" and resid 281 and name HB1 )) (( segid " A" and resid 281 and name HA )) 6.000 4.500 0.000 peak 590 spectrum 1 weight 0.10000E+01 volume 0.55510E-03 ppm1 1.731 ppm2 5.280 CV 1 OR { 590} (( segid " A" and resid 281 and name HB2 )) (( segid " A" and resid 281 and name HA )) ASSI { 591} ( segid " A" and resid 168 and name HD2%) (( segid " A" and resid 281 and name HA )) 6.000 4.500 0.000 peak 591 spectrum 1 weight 0.10000E+01 volume 0.11156E-02 ppm1 1.014 ppm2 5.280 CV 1 ASSI { 592} (( segid " A" and resid 281 and name HD1 )) (( segid " A" and resid 281 and name HA )) 6.000 4.500 0.000 peak 592 spectrum 1 weight 0.10000E+01 volume 0.10505E-02 ppm1 3.175 ppm2 5.267 CV 1 ASSI { 593} (( segid " A" and resid 281 and name HD2 )) (( segid " A" and resid 281 and name HA )) 6.000 4.500 0.000 peak 593 spectrum 1 weight 0.10000E+01 volume 0.10700E-02 ppm1 3.093 ppm2 5.272 CV 1 ASSI { 594} (( segid " A" and resid 281 and name HG1 )) (( segid " A" and resid 281 and name HA )) 6.000 4.500 0.000 peak 594 spectrum 1 weight 0.10000E+01 volume 0.54537E-03 ppm1 1.520 ppm2 5.273 CV 1 ASSI { 595} ( segid " A" and resid 214 and name HB% ) (( segid " A" and resid 281 and name HA )) 6.000 4.500 0.000 peak 595 spectrum 1 weight 0.10000E+01 volume 0.11297E-02 ppm1 1.271 ppm2 5.264 CV 1 ASSI { 596} ( segid " A" and resid 138 and name HG2%) (( segid " A" and resid 160 and name HA )) 6.000 4.500 0.000 peak 596 spectrum 1 weight 0.10000E+01 volume 0.13653E-02 ppm1 0.532 ppm2 5.111 CV 1 ASSI { 597} ( segid " A" and resid 138 and name HD1%) (( segid " A" and resid 160 and name HA )) 6.000 4.500 0.000 peak 597 spectrum 1 weight 0.10000E+01 volume 0.86989E-03 ppm1 0.758 ppm2 5.111 CV 1 ASSI { 598} (( segid " A" and resid 138 and name HA )) (( segid " A" and resid 160 and name HA )) 6.000 4.500 0.000 peak 598 spectrum 1 weight 0.10000E+01 volume 0.22258E-02 ppm1 3.749 ppm2 5.105 CV 1 ASSI { 600} ( segid " A" and resid 214 and name HB% ) (( segid " A" and resid 214 and name HA )) 6.000 4.500 0.000 peak 600 spectrum 1 weight 0.10000E+01 volume 0.63747E-02 ppm1 1.272 ppm2 5.099 CV 1 ASSI { 601} ( segid " A" and resid 216 and name HG2%) (( segid " A" and resid 214 and name HA )) 6.000 4.500 0.000 peak 601 spectrum 1 weight 0.10000E+01 volume 0.21263E-02 ppm1 0.373 ppm2 5.100 CV 1 OR { 601} ( segid " A" and resid 213 and name HG1%) (( segid " A" and resid 214 and name HA )) ASSI { 603} ( segid " A" and resid 213 and name HG2%) (( segid " A" and resid 214 and name HA )) 6.000 4.500 0.000 peak 603 spectrum 1 weight 0.10000E+01 volume 0.16194E-02 ppm1 0.406 ppm2 5.095 CV 1 ASSI { 604} ( segid " A" and resid 165 and name HB% ) (( segid " A" and resid 160 and name HA )) 6.000 4.500 0.000 peak 604 spectrum 1 weight 0.10000E+01 volume 0.10394E-02 ppm1 0.651 ppm2 5.108 CV 1 OR { 604} ( segid " A" and resid 165 and name HB% ) (( segid " A" and resid 214 and name HA )) ASSI { 605} ( segid " A" and resid 162 and name HG2%) (( segid " A" and resid 160 and name HA )) 6.000 4.500 0.000 peak 605 spectrum 1 weight 0.10000E+01 volume 0.84308E-03 ppm1 0.776 ppm2 5.101 CV 1 ASSI { 606} ( segid " A" and resid 166 and name HB% ) (( segid " A" and resid 160 and name HA )) 6.000 4.500 0.000 peak 606 spectrum 1 weight 0.10000E+01 volume 0.82340E-03 ppm1 1.458 ppm2 5.105 CV 1 ASSI { 607} (( segid " A" and resid 284 and name HA )) (( segid " A" and resid 211 and name HA )) 6.000 4.500 0.000 peak 607 spectrum 1 weight 0.10000E+01 volume 0.17102E-02 ppm1 4.412 ppm2 5.077 CV 1 ASSI { 608} (( segid " A" and resid 211 and name HB )) (( segid " A" and resid 211 and name HA )) 6.000 4.500 0.000 peak 608 spectrum 1 weight 0.10000E+01 volume 0.77530E-03 ppm1 1.986 ppm2 5.075 CV 1 ASSI { 609} ( segid " A" and resid 267 and name HG2%) (( segid " A" and resid 211 and name HA )) 6.000 4.500 0.000 peak 609 spectrum 1 weight 0.10000E+01 volume 0.22312E-02 ppm1 0.992 ppm2 5.071 CV 1 ASSI { 610} ( segid " A" and resid 285 and name HB% ) (( segid " A" and resid 211 and name HA )) 6.000 4.500 0.000 peak 610 spectrum 1 weight 0.10000E+01 volume 0.14086E-02 ppm1 1.512 ppm2 5.064 CV 1 ASSI { 611} ( segid " A" and resid 211 and name HG2%) (( segid " A" and resid 211 and name HA )) 6.000 4.500 0.000 peak 611 spectrum 1 weight 0.10000E+01 volume 0.43305E-02 ppm1 0.959 ppm2 5.072 CV 1 ASSI { 612} ( segid " A" and resid 211 and name HD1%) (( segid " A" and resid 211 and name HA )) 6.000 4.500 0.000 peak 612 spectrum 1 weight 0.10000E+01 volume 0.15188E-02 ppm1 0.737 ppm2 5.072 CV 1 ASSI { 613} ( segid " A" and resid 255 and name HD1%) (( segid " A" and resid 230 and name HA )) 6.000 4.500 0.000 peak 613 spectrum 1 weight 0.10000E+01 volume 0.70157E-03 ppm1 -0.124 ppm2 5.061 CV 1 OR { 613} ( segid " A" and resid 255 and name HD1%) (( segid " A" and resid 211 and name HA )) ASSI { 614} (( segid " A" and resid 230 and name HG2 )) (( segid " A" and resid 230 and name HA )) 6.000 4.500 0.000 peak 614 spectrum 1 weight 0.10000E+01 volume 0.26604E-02 ppm1 2.555 ppm2 5.045 CV 1 OR { 614} (( segid " A" and resid 230 and name HG1 )) (( segid " A" and resid 230 and name HA )) ASSI { 615} (( segid " A" and resid 256 and name HB1 )) (( segid " A" and resid 256 and name HA )) 6.000 4.500 0.000 peak 615 spectrum 1 weight 0.10000E+01 volume 0.93237E-03 ppm1 2.170 ppm2 5.031 CV 1 ASSI { 616} (( segid " A" and resid 176 and name HB )) (( segid " A" and resid 173 and name HA )) 6.000 4.500 0.000 peak 616 spectrum 1 weight 0.10000E+01 volume 0.10742E-02 ppm1 2.060 ppm2 5.032 CV 1 ASSI { 617} (( segid " A" and resid 256 and name HB2 )) (( segid " A" and resid 256 and name HA )) 6.000 4.500 0.000 peak 617 spectrum 1 weight 0.10000E+01 volume 0.89356E-03 ppm1 1.783 ppm2 5.027 CV 1 ASSI { 619} (( segid " A" and resid 230 and name HB1 )) (( segid " A" and resid 230 and name HA )) 6.000 4.500 0.000 peak 619 spectrum 1 weight 0.10000E+01 volume 0.22571E-02 ppm1 2.291 ppm2 5.048 CV 1 ASSI { 620} (( segid " A" and resid 230 and name HB2 )) (( segid " A" and resid 230 and name HA )) 6.000 4.500 0.000 peak 620 spectrum 1 weight 0.10000E+01 volume 0.24150E-02 ppm1 2.075 ppm2 5.045 CV 1 ASSI { 621} ( segid " A" and resid 178 and name HD1%) (( segid " A" and resid 173 and name HA )) 6.000 4.500 0.000 peak 621 spectrum 1 weight 0.10000E+01 volume 0.11783E-02 ppm1 0.806 ppm2 5.033 CV 1 ASSI { 622} ( segid " A" and resid 114 and name HG2%) (( segid " A" and resid 159 and name HA )) 6.000 4.500 0.000 peak 622 spectrum 1 weight 0.10000E+01 volume 0.93659E-03 ppm1 0.918 ppm2 5.040 CV 1 ASSI { 623} ( segid " A" and resid 176 and name HG1%) (( segid " A" and resid 173 and name HA )) 6.000 4.500 0.000 peak 623 spectrum 1 weight 0.10000E+01 volume 0.87486E-02 ppm1 1.019 ppm2 5.040 CV 1 ASSI { 624} ( segid " A" and resid 176 and name HG2%) (( segid " A" and resid 173 and name HA )) 6.000 4.500 0.000 peak 624 spectrum 1 weight 0.10000E+01 volume 0.44797E-02 ppm1 0.889 ppm2 5.040 CV 1 ASSI { 625} ( segid " A" and resid 158 and name HG2%) (( segid " A" and resid 159 and name HA )) 6.000 4.500 0.000 peak 625 spectrum 1 weight 0.10000E+01 volume 0.47035E-03 ppm1 0.032 ppm2 5.031 CV 1 ASSI { 626} ( segid " A" and resid 266 and name HB% ) (( segid " A" and resid 230 and name HA )) 6.000 4.500 0.000 peak 626 spectrum 1 weight 0.10000E+01 volume 0.55726E-03 ppm1 1.245 ppm2 5.029 CV 1 OR { 626} ( segid " A" and resid 266 and name HB% ) (( segid " A" and resid 256 and name HA )) ASSI { 627} ( segid " A" and resid 235 and name HG2%) (( segid " A" and resid 230 and name HA )) 6.000 4.500 0.000 peak 627 spectrum 1 weight 0.10000E+01 volume 0.10213E-02 ppm1 0.574 ppm2 5.047 CV 1 ASSI { 628} ( segid " A" and resid 255 and name HG2%) (( segid " A" and resid 256 and name HA )) 6.000 4.500 0.000 peak 628 spectrum 1 weight 0.10000E+01 volume 0.13480E-02 ppm1 0.218 ppm2 5.037 CV 1 ASSI { 629} ( segid " A" and resid 173 and name HE% ) (( segid " A" and resid 173 and name HA )) 6.000 4.500 0.000 peak 629 spectrum 1 weight 0.10000E+01 volume 0.37630E-02 ppm1 1.385 ppm2 5.038 CV 1 ASSI { 630} ( segid " A" and resid 235 and name HD1%) (( segid " A" and resid 230 and name HA )) 6.000 4.500 0.000 peak 630 spectrum 1 weight 0.10000E+01 volume 0.31165E-02 ppm1 0.680 ppm2 5.044 CV 1 ASSI { 633} (( segid " A" and resid 142 and name HB1 )) (( segid " A" and resid 142 and name HA )) 6.000 4.500 0.000 peak 633 spectrum 1 weight 0.10000E+01 volume 0.35403E-02 ppm1 2.816 ppm2 5.013 CV 1 ASSI { 634} (( segid " A" and resid 142 and name HB2 )) (( segid " A" and resid 142 and name HA )) 6.000 4.500 0.000 peak 634 spectrum 1 weight 0.10000E+01 volume 0.37684E-02 ppm1 2.607 ppm2 5.013 CV 1 ASSI { 635} (( segid " A" and resid 256 and name HG1 )) (( segid " A" and resid 256 and name HA )) 6.000 4.500 0.000 peak 635 spectrum 1 weight 0.10000E+01 volume 0.94210E-03 ppm1 2.229 ppm2 5.012 CV 1 ASSI { 636} (( segid " A" and resid 256 and name HG2 )) (( segid " A" and resid 256 and name HA )) 6.000 4.500 0.000 peak 636 spectrum 1 weight 0.10000E+01 volume 0.75757E-03 ppm1 2.137 ppm2 5.016 CV 1 ASSI { 637} (( segid " A" and resid 159 and name HG2 )) (( segid " A" and resid 159 and name HA )) 6.000 4.500 0.000 peak 637 spectrum 1 weight 0.10000E+01 volume 0.10631E-02 ppm1 2.021 ppm2 5.006 CV 1 OR { 637} (( segid " A" and resid 159 and name HG1 )) (( segid " A" and resid 159 and name HA )) ASSI { 638} (( segid " A" and resid 210 and name HB2 )) (( segid " A" and resid 256 and name HA )) 6.000 4.500 0.000 peak 638 spectrum 1 weight 0.10000E+01 volume 0.74773E-03 ppm1 1.871 ppm2 5.008 CV 1 OR { 638} (( segid " A" and resid 185 and name HB )) (( segid " A" and resid 173 and name HA )) ASSI { 639} (( segid " A" and resid 113 and name HB1 )) (( segid " A" and resid 159 and name HA )) 6.000 4.500 0.000 peak 639 spectrum 1 weight 0.10000E+01 volume 0.85389E-03 ppm1 1.806 ppm2 5.001 CV 1 ASSI { 640} (( segid " A" and resid 113 and name HB2 )) (( segid " A" and resid 159 and name HA )) 6.000 4.500 0.000 peak 640 spectrum 1 weight 0.10000E+01 volume 0.70449E-03 ppm1 1.737 ppm2 5.006 CV 1 ASSI { 641} (( segid " A" and resid 159 and name HB2 )) (( segid " A" and resid 159 and name HA )) 6.000 4.500 0.000 peak 641 spectrum 1 weight 0.10000E+01 volume 0.84016E-03 ppm1 2.030 ppm2 5.007 CV 1 ASSI { 642} (( segid " A" and resid 159 and name HB1 )) (( segid " A" and resid 159 and name HA )) 6.000 4.500 0.000 peak 642 spectrum 1 weight 0.10000E+01 volume 0.84113E-03 ppm1 1.691 ppm2 5.011 CV 1 ASSI { 643} (( segid " A" and resid 113 and name HG1 )) (( segid " A" and resid 159 and name HA )) 6.000 4.500 0.000 peak 643 spectrum 1 weight 0.10000E+01 volume 0.72514E-03 ppm1 1.391 ppm2 5.024 CV 1 ASSI { 644} ( segid " A" and resid 141 and name HG2%) (( segid " A" and resid 142 and name HA )) 6.000 4.500 0.000 peak 644 spectrum 1 weight 0.10000E+01 volume 0.10270E-02 ppm1 0.593 ppm2 5.012 CV 1 ASSI { 645} ( segid " A" and resid 143 and name HE% ) (( segid " A" and resid 152 and name HA )) 6.000 4.500 0.000 peak 645 spectrum 1 weight 0.10000E+01 volume 0.72514E-03 ppm1 1.271 ppm2 5.007 CV 1 ASSI { 646} ( segid " A" and resid 183 and name HD1%) (( segid " A" and resid 173 and name HA )) 6.000 4.500 0.000 peak 646 spectrum 1 weight 0.10000E+01 volume 0.11588E-02 ppm1 0.868 ppm2 5.023 CV 1 ASSI { 647} (( segid " A" and resid 145 and name HA )) (( segid " A" and resid 152 and name HA )) 6.000 4.500 0.000 peak 647 spectrum 1 weight 0.10000E+01 volume 0.25393E-02 ppm1 4.592 ppm2 4.993 CV 1 ASSI { 648} (( segid " A" and resid 174 and name HA )) (( segid " A" and resid 184 and name HA )) 6.000 4.500 0.000 peak 648 spectrum 1 weight 0.10000E+01 volume 0.11426E-02 ppm1 4.447 ppm2 4.954 CV 1 ASSI { 649} (( segid " A" and resid 184 and name HE2 )) (( segid " A" and resid 184 and name HA )) 6.000 4.500 0.000 peak 649 spectrum 1 weight 0.10000E+01 volume 0.25350E-02 ppm1 2.987 ppm2 4.946 CV 1 OR { 649} (( segid " A" and resid 184 and name HE1 )) (( segid " A" and resid 184 and name HA )) ASSI { 650} (( segid " A" and resid 184 and name HB2 )) (( segid " A" and resid 184 and name HA )) 6.000 4.500 0.000 peak 650 spectrum 1 weight 0.10000E+01 volume 0.37079E-02 ppm1 1.737 ppm2 4.951 CV 1 ASSI { 651} (( segid " A" and resid 184 and name HB1 )) (( segid " A" and resid 184 and name HA )) 6.000 4.500 0.000 peak 651 spectrum 1 weight 0.10000E+01 volume 0.34690E-02 ppm1 1.593 ppm2 4.951 CV 1 ASSI { 652} (( segid " A" and resid 184 and name HD1 )) (( segid " A" and resid 184 and name HA )) 6.000 4.500 0.000 peak 652 spectrum 1 weight 0.10000E+01 volume 0.34906E-02 ppm1 1.725 ppm2 4.954 CV 1 OR { 652} (( segid " A" and resid 184 and name HD2 )) (( segid " A" and resid 184 and name HA )) ASSI { 653} (( segid " A" and resid 184 and name HG1 )) (( segid " A" and resid 184 and name HA )) 6.000 4.500 0.000 peak 653 spectrum 1 weight 0.10000E+01 volume 0.25944E-02 ppm1 1.441 ppm2 4.949 CV 1 ASSI { 654} (( segid " A" and resid 184 and name HG2 )) (( segid " A" and resid 184 and name HA )) 6.000 4.500 0.000 peak 654 spectrum 1 weight 0.10000E+01 volume 0.28452E-02 ppm1 1.355 ppm2 4.952 CV 1 ASSI { 655} (( segid " A" and resid 273 and name HA )) (( segid " A" and resid 270 and name HA )) 6.000 4.500 0.000 peak 655 spectrum 1 weight 0.10000E+01 volume 0.67606E-03 ppm1 4.297 ppm2 4.931 CV 1 ASSI { 656} ( segid " A" and resid 280 and name HD1%) (( segid " A" and resid 270 and name HA )) 6.000 4.500 0.000 peak 656 spectrum 1 weight 0.10000E+01 volume 0.80276E-03 ppm1 1.048 ppm2 4.943 CV 1 ASSI { 657} ( segid " A" and resid 270 and name HE% ) (( segid " A" and resid 270 and name HA )) 6.000 4.500 0.000 peak 657 spectrum 1 weight 0.10000E+01 volume 0.25112E-02 ppm1 0.184 ppm2 4.938 CV 1 ASSI { 658} (( segid " A" and resid 244 and name HD2 )) (( segid " A" and resid 243 and name HA )) 6.000 4.500 0.000 peak 658 spectrum 1 weight 0.10000E+01 volume 0.29198E-02 ppm1 4.071 ppm2 4.908 CV 1 ASSI { 659} (( segid " A" and resid 243 and name HB1 )) (( segid " A" and resid 243 and name HA )) 6.000 4.500 0.000 peak 659 spectrum 1 weight 0.10000E+01 volume 0.14075E-02 ppm1 3.167 ppm2 4.905 CV 1 ASSI { 660} (( segid " A" and resid 243 and name HB2 )) (( segid " A" and resid 243 and name HA )) 6.000 4.500 0.000 peak 660 spectrum 1 weight 0.10000E+01 volume 0.14053E-02 ppm1 2.396 ppm2 4.904 CV 1 ASSI { 661} (( segid " A" and resid 250 and name HE2 )) (( segid " A" and resid 243 and name HA )) 6.000 4.500 0.000 peak 661 spectrum 1 weight 0.10000E+01 volume 0.22896E-02 ppm1 2.948 ppm2 4.916 CV 1 OR { 661} (( segid " A" and resid 273 and name HB2 )) (( segid " A" and resid 270 and name HA )) ASSI { 662} (( segid " A" and resid 244 and name HG2 )) (( segid " A" and resid 243 and name HA )) 6.000 4.500 0.000 peak 662 spectrum 1 weight 0.10000E+01 volume 0.21988E-02 ppm1 2.070 ppm2 4.913 CV 1 OR { 662} (( segid " A" and resid 244 and name HG1 )) (( segid " A" and resid 243 and name HA )) ASSI { 663} (( segid " A" and resid 263 and name HB1 )) (( segid " A" and resid 209 and name HA )) 6.000 4.500 0.000 peak 663 spectrum 1 weight 0.10000E+01 volume 0.59055E-03 ppm1 3.808 ppm2 4.880 CV 1 ASSI { 664} (( segid " A" and resid 263 and name HB2 )) (( segid " A" and resid 209 and name HA )) 6.000 4.500 0.000 peak 664 spectrum 1 weight 0.10000E+01 volume 0.62007E-03 ppm1 3.762 ppm2 4.870 CV 1 OR { 664} (( segid " A" and resid 263 and name HB2 )) (( segid " A" and resid 257 and name HA )) ASSI { 665} (( segid " A" and resid 260 and name HA )) (( segid " A" and resid 209 and name HA )) 6.000 4.500 0.000 peak 665 spectrum 1 weight 0.10000E+01 volume 0.10588E-02 ppm1 3.911 ppm2 4.873 CV 1 ASSI { 666} (( segid " A" and resid 244 and name HD1 )) (( segid " A" and resid 243 and name HA )) 6.000 4.500 0.000 peak 666 spectrum 1 weight 0.10000E+01 volume 0.37187E-02 ppm1 3.997 ppm2 4.890 CV 1 ASSI { 667} (( segid " A" and resid 222 and name HB2 )) (( segid " A" and resid 239 and name HA )) 6.000 4.500 0.000 peak 667 spectrum 1 weight 0.10000E+01 volume 0.94069E-03 ppm1 2.582 ppm2 4.865 CV 1 ASSI { 668} (( segid " A" and resid 209 and name HB2 )) (( segid " A" and resid 209 and name HA )) 6.000 4.500 0.000 peak 668 spectrum 1 weight 0.10000E+01 volume 0.14604E-02 ppm1 3.570 ppm2 4.873 CV 1 ASSI { 669} (( segid " A" and resid 209 and name HB1 )) (( segid " A" and resid 209 and name HA )) 6.000 4.500 0.000 peak 669 spectrum 1 weight 0.10000E+01 volume 0.16410E-02 ppm1 2.661 ppm2 4.872 CV 1 ASSI { 670} ( segid " A" and resid 260 and name HB% ) (( segid " A" and resid 209 and name HA )) 6.000 4.500 0.000 peak 670 spectrum 1 weight 0.10000E+01 volume 0.12810E-02 ppm1 1.413 ppm2 4.876 CV 1 ASSI { 671} (( segid " A" and resid 239 and name HB )) (( segid " A" and resid 239 and name HA )) 6.000 4.500 0.000 peak 671 spectrum 1 weight 0.10000E+01 volume 0.62807E-02 ppm1 3.925 ppm2 4.862 CV 1 ASSI { 672} (( segid " A" and resid 235 and name HA )) (( segid " A" and resid 257 and name HA )) 6.000 4.500 0.000 peak 672 spectrum 1 weight 0.10000E+01 volume 0.24679E-02 ppm1 4.050 ppm2 4.845 CV 1 ASSI { 674} (( segid " A" and resid 177 and name HA )) (( segid " A" and resid 182 and name HA )) 6.000 4.500 0.000 peak 674 spectrum 1 weight 0.10000E+01 volume 0.41522E-02 ppm1 4.580 ppm2 4.846 CV 1 ASSI { 675} (( segid " A" and resid 257 and name HB2 )) (( segid " A" and resid 257 and name HA )) 6.000 4.500 0.000 peak 675 spectrum 1 weight 0.10000E+01 volume 0.54753E-03 ppm1 3.561 ppm2 4.845 CV 1 ASSI { 676} (( segid " A" and resid 257 and name HB1 )) (( segid " A" and resid 257 and name HA )) 6.000 4.500 0.000 peak 676 spectrum 1 weight 0.10000E+01 volume 0.78308E-03 ppm1 2.750 ppm2 4.837 CV 1 ASSI { 677} (( segid " A" and resid 182 and name HB2 )) (( segid " A" and resid 182 and name HA )) 6.000 4.500 0.000 peak 677 spectrum 1 weight 0.10000E+01 volume 0.25739E-02 ppm1 2.492 ppm2 4.844 CV 1 OR { 677} (( segid " A" and resid 182 and name HB1 )) (( segid " A" and resid 182 and name HA )) ASSI { 678} (( segid " A" and resid 222 and name HB1 )) (( segid " A" and resid 239 and name HA )) 6.000 4.500 0.000 peak 678 spectrum 1 weight 0.10000E+01 volume 0.79292E-03 ppm1 2.639 ppm2 4.857 CV 1 ASSI { 679} (( segid " A" and resid 162 and name HB )) (( segid " A" and resid 162 and name HA )) 6.000 4.500 0.000 peak 679 spectrum 1 weight 0.10000E+01 volume 0.29122E-02 ppm1 2.197 ppm2 4.857 CV 1 ASSI { 680} (( segid " A" and resid 177 and name HB1 )) (( segid " A" and resid 182 and name HA )) 6.000 4.500 0.000 peak 680 spectrum 1 weight 0.10000E+01 volume 0.87410E-03 ppm1 1.908 ppm2 4.839 CV 1 ASSI { 681} (( segid " A" and resid 177 and name HB2 )) (( segid " A" and resid 182 and name HA )) 6.000 4.500 0.000 peak 681 spectrum 1 weight 0.10000E+01 volume 0.98664E-03 ppm1 1.782 ppm2 4.850 CV 1 OR { 681} (( segid " A" and resid 234 and name HB1 )) (( segid " A" and resid 257 and name HA )) ASSI { 682} (( segid " A" and resid 177 and name HG2 )) (( segid " A" and resid 182 and name HA )) 6.000 4.500 0.000 peak 682 spectrum 1 weight 0.10000E+01 volume 0.23036E-02 ppm1 2.281 ppm2 4.846 CV 1 OR { 682} (( segid " A" and resid 177 and name HG1 )) (( segid " A" and resid 182 and name HA )) ASSI { 683} (( segid " A" and resid 163 and name HG1 )) (( segid " A" and resid 162 and name HA )) 6.000 4.500 0.000 peak 683 spectrum 1 weight 0.10000E+01 volume 0.90880E-03 ppm1 1.991 ppm2 4.858 CV 1 OR { 683} (( segid " A" and resid 206 and name HG1 )) (( segid " A" and resid 209 and name HA )) ASSI { 684} ( segid " A" and resid 162 and name HG1%) (( segid " A" and resid 162 and name HA )) 6.000 4.500 0.000 peak 684 spectrum 1 weight 0.10000E+01 volume 0.85929E-02 ppm1 1.058 ppm2 4.855 CV 1 ASSI { 685} ( segid " A" and resid 239 and name HG2%) (( segid " A" and resid 239 and name HA )) 6.000 4.500 0.000 peak 685 spectrum 1 weight 0.10000E+01 volume 0.16096E-01 ppm1 1.166 ppm2 4.862 CV 1 ASSI { 686} ( segid " A" and resid 240 and name HD2%) (( segid " A" and resid 239 and name HA )) 6.000 4.500 0.000 peak 686 spectrum 1 weight 0.10000E+01 volume 0.79887E-03 ppm1 0.083 ppm2 4.837 CV 1 ASSI { 687} ( segid " A" and resid 162 and name HG2%) (( segid " A" and resid 162 and name HA )) 6.000 4.500 0.000 peak 687 spectrum 1 weight 0.10000E+01 volume 0.35576E-02 ppm1 0.778 ppm2 4.856 CV 1 ASSI { 688} ( segid " A" and resid 177 and name HE% ) (( segid " A" and resid 182 and name HA )) 6.000 4.500 0.000 peak 688 spectrum 1 weight 0.10000E+01 volume 0.29717E-02 ppm1 1.918 ppm2 4.847 CV 1 ASSI { 689} (( segid " A" and resid 272 and name HA )) (( segid " A" and resid 279 and name HA )) 6.000 4.500 0.000 peak 689 spectrum 1 weight 0.10000E+01 volume 0.56904E-03 ppm1 3.885 ppm2 4.811 CV 1 ASSI { 690} ( segid " A" and resid 272 and name HD1%) (( segid " A" and resid 279 and name HA )) 6.000 4.500 0.000 peak 690 spectrum 1 weight 0.10000E+01 volume 0.31328E-02 ppm1 0.803 ppm2 4.814 CV 1 OR { 690} ( segid " A" and resid 170 and name HD2%) (( segid " A" and resid 187 and name HA )) ASSI { 691} ( segid " A" and resid 183 and name HG2%) (( segid " A" and resid 182 and name HA )) 6.000 4.500 0.000 peak 691 spectrum 1 weight 0.10000E+01 volume 0.18312E-02 ppm1 0.950 ppm2 4.835 CV 1 ASSI { 692} ( segid " A" and resid 191 and name HG2%) (( segid " A" and resid 190 and name HA )) 6.000 4.500 0.000 peak 692 spectrum 1 weight 0.10000E+01 volume 0.11686E-02 ppm1 0.899 ppm2 4.759 CV 1 ASSI { 693} ( segid " A" and resid 183 and name HD1%) (( segid " A" and resid 182 and name HA )) 6.000 4.500 0.000 peak 693 spectrum 1 weight 0.10000E+01 volume 0.18561E-02 ppm1 0.846 ppm2 4.832 CV 1 ASSI { 694} ( segid " A" and resid 235 and name HD1%) (( segid " A" and resid 257 and name HA )) 6.000 4.500 0.000 peak 694 spectrum 1 weight 0.10000E+01 volume 0.10061E-02 ppm1 0.677 ppm2 4.823 CV 1 ASSI { 695} (( segid " A" and resid 274 and name HA )) (( segid " A" and resid 279 and name HA )) 6.000 4.500 0.000 peak 695 spectrum 1 weight 0.10000E+01 volume 0.27555E-02 ppm1 4.309 ppm2 4.803 CV 1 ASSI { 696} (( segid " A" and resid 117 and name HA2 )) (( segid " A" and resid 117 and name HA1 )) 6.000 4.500 0.000 peak 696 spectrum 1 weight 0.10000E+01 volume 0.14010E-02 ppm1 3.526 ppm2 4.786 CV 1 ASSI { 697} (( segid " A" and resid 279 and name HB2 )) (( segid " A" and resid 279 and name HA )) 6.000 4.500 0.000 peak 697 spectrum 1 weight 0.10000E+01 volume 0.70849E-03 ppm1 2.723 ppm2 4.806 CV 1 ASSI { 698} (( segid " A" and resid 279 and name HB1 )) (( segid " A" and resid 279 and name HA )) 6.000 4.500 0.000 peak 698 spectrum 1 weight 0.10000E+01 volume 0.89767E-03 ppm1 2.532 ppm2 4.801 CV 1 ASSI { 699} ( segid " A" and resid 116 and name HG2%) (( segid " A" and resid 117 and name HA1 )) 6.000 4.500 0.000 peak 699 spectrum 1 weight 0.10000E+01 volume 0.19210E-02 ppm1 0.702 ppm2 4.800 CV 1 ASSI { 700} ( segid " A" and resid 235 and name HG2%) (( segid " A" and resid 238 and name HA )) 6.000 4.500 0.000 peak 700 spectrum 1 weight 0.10000E+01 volume 0.19588E-02 ppm1 0.573 ppm2 4.795 CV 1 ASSI { 701} ( segid " A" and resid 255 and name HG2%) (( segid " A" and resid 238 and name HA )) 6.000 4.500 0.000 peak 701 spectrum 1 weight 0.10000E+01 volume 0.21458E-02 ppm1 0.219 ppm2 4.784 CV 1 ASSI { 702} (( segid " A" and resid 221 and name HB2 )) (( segid " A" and resid 221 and name HA )) 6.000 4.500 0.000 peak 702 spectrum 1 weight 0.10000E+01 volume 0.66579E-02 ppm1 4.193 ppm2 4.760 CV 1 ASSI { 703} (( segid " A" and resid 221 and name HB1 )) (( segid " A" and resid 221 and name HA )) 6.000 4.500 0.000 peak 703 spectrum 1 weight 0.10000E+01 volume 0.64612E-02 ppm1 3.943 ppm2 4.762 CV 1 ASSI { 704} (( segid " A" and resid 255 and name HA )) (( segid " A" and resid 238 and name HA )) 6.000 4.500 0.000 peak 704 spectrum 1 weight 0.10000E+01 volume 0.20009E-02 ppm1 4.557 ppm2 4.770 CV 1 ASSI { 705} (( segid " A" and resid 155 and name HA )) (( segid " A" and resid 117 and name HA1 )) 6.000 4.500 0.000 peak 705 spectrum 1 weight 0.10000E+01 volume 0.45921E-03 ppm1 5.538 ppm2 4.777 CV 1 ASSI { 706} (( segid " A" and resid 143 and name HA )) (( segid " A" and resid 156 and name HA )) 6.000 4.500 0.000 peak 706 spectrum 1 weight 0.10000E+01 volume 0.22647E-02 ppm1 4.392 ppm2 4.764 CV 1 ASSI { 707} (( segid " A" and resid 275 and name HB2 )) (( segid " A" and resid 275 and name HA )) 6.000 4.500 0.000 peak 707 spectrum 1 weight 0.10000E+01 volume 0.10994E-02 ppm1 2.095 ppm2 4.762 CV 1 ASSI { 708} (( segid " A" and resid 275 and name HB1 )) (( segid " A" and resid 275 and name HA )) 6.000 4.500 0.000 peak 708 spectrum 1 weight 0.10000E+01 volume 0.12032E-02 ppm1 1.453 ppm2 4.769 CV 1 ASSI { 709} (( segid " A" and resid 255 and name HG12)) (( segid " A" and resid 238 and name HA )) 6.000 4.500 0.000 peak 709 spectrum 1 weight 0.10000E+01 volume 0.56418E-03 ppm1 0.571 ppm2 4.758 CV 1 ASSI { 710} ( segid " A" and resid 275 and name HD2%) (( segid " A" and resid 275 and name HA )) 6.000 4.500 0.000 peak 710 spectrum 1 weight 0.10000E+01 volume 0.22312E-02 ppm1 0.968 ppm2 4.763 CV 1 ASSI { 711} ( segid " A" and resid 220 and name HD2%) (( segid " A" and resid 275 and name HA )) 6.000 4.500 0.000 peak 711 spectrum 1 weight 0.10000E+01 volume 0.70255E-03 ppm1 0.904 ppm2 4.754 CV 1 OR { 711} ( segid " A" and resid 220 and name HD2%) (( segid " A" and resid 221 and name HA )) ASSI { 712} (( segid " A" and resid 225 and name HG11)) (( segid " A" and resid 221 and name HA )) 6.000 4.500 0.000 peak 712 spectrum 1 weight 0.10000E+01 volume 0.90599E-03 ppm1 1.054 ppm2 4.774 CV 1 OR { 712} ( segid " A" and resid 280 and name HD1%) (( segid " A" and resid 275 and name HA )) ASSI { 713} (( segid " A" and resid 238 and name HB2 )) (( segid " A" and resid 238 and name HA )) 6.000 4.500 0.000 peak 713 spectrum 1 weight 0.10000E+01 volume 0.99637E-03 ppm1 2.800 ppm2 4.777 CV 1 ASSI { 714} (( segid " A" and resid 238 and name HB1 )) (( segid " A" and resid 238 and name HA )) 6.000 4.500 0.000 peak 714 spectrum 1 weight 0.10000E+01 volume 0.94491E-03 ppm1 2.315 ppm2 4.768 CV 1 ASSI { 715} ( segid " A" and resid 240 and name HD1%) (( segid " A" and resid 221 and name HA )) 6.000 4.500 0.000 peak 715 spectrum 1 weight 0.10000E+01 volume 0.30225E-02 ppm1 -0.085 ppm2 4.758 CV 1 ASSI { 716} ( segid " A" and resid 275 and name HD1%) (( segid " A" and resid 275 and name HA )) 6.000 4.500 0.000 peak 716 spectrum 1 weight 0.10000E+01 volume 0.10723E-01 ppm1 1.043 ppm2 4.764 CV 1 ASSI { 717} ( segid " A" and resid 156 and name HB% ) (( segid " A" and resid 156 and name HA )) 6.000 4.500 0.000 peak 717 spectrum 1 weight 0.10000E+01 volume 0.76265E-02 ppm1 0.833 ppm2 4.763 CV 1 ASSI { 718} ( segid " A" and resid 286 and name HG2%) (( segid " A" and resid 285 and name HA )) 6.000 4.500 0.000 peak 718 spectrum 1 weight 0.10000E+01 volume 0.16215E-02 ppm1 0.557 ppm2 4.757 CV 1 ASSI { 719} ( segid " A" and resid 141 and name HG2%) (( segid " A" and resid 156 and name HA )) 6.000 4.500 0.000 peak 719 spectrum 1 weight 0.10000E+01 volume 0.93378E-03 ppm1 0.591 ppm2 4.774 CV 1 ASSI { 720} ( segid " A" and resid 143 and name HE% ) (( segid " A" and resid 156 and name HA )) 6.000 4.500 0.000 peak 720 spectrum 1 weight 0.10000E+01 volume 0.74481E-03 ppm1 1.276 ppm2 4.755 CV 1 ASSI { 722} ( segid " A" and resid 119 and name HD1%) (( segid " A" and resid 156 and name HA )) 6.000 4.500 0.000 peak 722 spectrum 1 weight 0.10000E+01 volume 0.10297E-02 ppm1 0.240 ppm2 4.774 CV 1 ASSI { 723} ( segid " A" and resid 255 and name HD1%) (( segid " A" and resid 238 and name HA )) 6.000 4.500 0.000 peak 723 spectrum 1 weight 0.10000E+01 volume 0.13307E-02 ppm1 -0.125 ppm2 4.767 CV 1 ASSI { 724} ( segid " A" and resid 128 and name HD1%) (( segid " A" and resid 156 and name HA )) 6.000 4.500 0.000 peak 724 spectrum 1 weight 0.10000E+01 volume 0.61315E-03 ppm1 0.480 ppm2 4.768 CV 1 OR { 724} ( segid " A" and resid 128 and name HD1%) (( segid " A" and resid 117 and name HA1 )) ASSI { 725} ( segid " A" and resid 225 and name HD1%) (( segid " A" and resid 221 and name HA )) 6.000 4.500 0.000 peak 725 spectrum 1 weight 0.10000E+01 volume 0.69660E-03 ppm1 0.629 ppm2 4.763 CV 1 ASSI { 726} (( segid " A" and resid 164 and name HA )) (( segid " A" and resid 285 and name HA )) 6.000 4.500 0.000 peak 726 spectrum 1 weight 0.10000E+01 volume 0.56072E-03 ppm1 3.292 ppm2 4.745 CV 1 ASSI { 727} (( segid " A" and resid 189 and name HA )) (( segid " A" and resid 189 and name HB1 )) 6.000 4.500 0.000 peak 727 spectrum 1 weight 0.10000E+01 volume 0.31241E-02 ppm1 4.454 ppm2 4.742 CV 1 OR { 727} (( segid " A" and resid 189 and name HA )) (( segid " A" and resid 189 and name HB2 )) ASSI { 728} (( segid " A" and resid 219 and name HB2 )) (( segid " A" and resid 219 and name HA )) 6.000 4.500 0.000 peak 728 spectrum 1 weight 0.10000E+01 volume 0.15448E-02 ppm1 2.881 ppm2 4.742 CV 1 ASSI { 729} (( segid " A" and resid 219 and name HB1 )) (( segid " A" and resid 219 and name HA )) 6.000 4.500 0.000 peak 729 spectrum 1 weight 0.10000E+01 volume 0.12259E-02 ppm1 2.726 ppm2 4.740 CV 1 ASSI { 730} (( segid " A" and resid 132 and name HB2 )) (( segid " A" and resid 132 and name HA )) 6.000 4.500 0.000 peak 730 spectrum 1 weight 0.10000E+01 volume 0.60169E-03 ppm1 3.519 ppm2 4.736 CV 1 ASSI { 731} (( segid " A" and resid 190 and name HB2 )) (( segid " A" and resid 190 and name HA )) 6.000 4.500 0.000 peak 731 spectrum 1 weight 0.10000E+01 volume 0.36571E-02 ppm1 2.981 ppm2 4.750 CV 1 ASSI { 732} (( segid " A" and resid 190 and name HB1 )) (( segid " A" and resid 190 and name HA )) 6.000 4.500 0.000 peak 732 spectrum 1 weight 0.10000E+01 volume 0.39738E-02 ppm1 2.729 ppm2 4.749 CV 1 ASSI { 733} (( segid " A" and resid 259 and name HB2 )) (( segid " A" and resid 259 and name HA )) 6.000 4.500 0.000 peak 733 spectrum 1 weight 0.10000E+01 volume 0.17512E-02 ppm1 1.883 ppm2 4.727 CV 1 ASSI { 734} (( segid " A" and resid 193 and name HG1 )) (( segid " A" and resid 190 and name HA )) 6.000 4.500 0.000 peak 734 spectrum 1 weight 0.10000E+01 volume 0.14680E-02 ppm1 2.416 ppm2 4.745 CV 1 OR { 734} (( segid " A" and resid 193 and name HG2 )) (( segid " A" and resid 190 and name HA )) ASSI { 735} (( segid " A" and resid 259 and name HD1 )) (( segid " A" and resid 259 and name HA )) 6.000 4.500 0.000 peak 735 spectrum 1 weight 0.10000E+01 volume 0.59423E-02 ppm1 1.755 ppm2 4.729 CV 1 OR { 735} (( segid " A" and resid 259 and name HD2 )) (( segid " A" and resid 259 and name HA )) ASSI { 736} (( segid " A" and resid 259 and name HG1 )) (( segid " A" and resid 259 and name HA )) 6.000 4.500 0.000 peak 736 spectrum 1 weight 0.10000E+01 volume 0.28852E-02 ppm1 1.580 ppm2 4.730 CV 1 ASSI { 737} ( segid " A" and resid 286 and name HG1%) (( segid " A" and resid 285 and name HA )) 6.000 4.500 0.000 peak 737 spectrum 1 weight 0.10000E+01 volume 0.16885E-02 ppm1 0.782 ppm2 4.745 CV 1 ASSI { 738} ( segid " A" and resid 240 and name HD2%) (( segid " A" and resid 242 and name HA )) 6.000 4.500 0.000 peak 738 spectrum 1 weight 0.10000E+01 volume 0.11697E-02 ppm1 0.084 ppm2 4.730 CV 1 OR { 738} ( segid " A" and resid 240 and name HD2%) (( segid " A" and resid 212 and name HA )) ASSI { 739} ( segid " A" and resid 158 and name HG2%) (( segid " A" and resid 114 and name HA )) 6.000 4.500 0.000 peak 739 spectrum 1 weight 0.10000E+01 volume 0.97129E-03 ppm1 0.027 ppm2 4.732 CV 1 OR { 739} ( segid " A" and resid 158 and name HG2%) (( segid " A" and resid 132 and name HA )) ASSI { 740} ( segid " A" and resid 285 and name HB% ) (( segid " A" and resid 285 and name HA )) 6.000 4.500 0.000 peak 740 spectrum 1 weight 0.10000E+01 volume 0.68698E-02 ppm1 1.513 ppm2 4.746 CV 1 ASSI { 741} ( segid " A" and resid 169 and name HB% ) (( segid " A" and resid 132 and name HA )) 6.000 4.500 0.000 peak 741 spectrum 1 weight 0.10000E+01 volume 0.89216E-03 ppm1 1.342 ppm2 4.734 CV 1 ASSI { 742} ( segid " A" and resid 173 and name HE% ) (( segid " A" and resid 132 and name HA )) 6.000 4.500 0.000 peak 742 spectrum 1 weight 0.10000E+01 volume 0.13286E-02 ppm1 1.386 ppm2 4.741 CV 1 ASSI { 745} (( segid " A" and resid 146 and name HB1 )) (( segid " A" and resid 146 and name HA )) 6.000 4.500 0.000 peak 745 spectrum 1 weight 0.10000E+01 volume 0.13437E-02 ppm1 3.099 ppm2 4.712 CV 1 ASSI { 746} (( segid " A" and resid 146 and name HB2 )) (( segid " A" and resid 146 and name HA )) 6.000 4.500 0.000 peak 746 spectrum 1 weight 0.10000E+01 volume 0.17318E-02 ppm1 2.308 ppm2 4.717 CV 1 ASSI { 747} (( segid " A" and resid 242 and name HD2 )) (( segid " A" and resid 242 and name HA )) 6.000 4.500 0.000 peak 747 spectrum 1 weight 0.10000E+01 volume 0.21728E-02 ppm1 3.025 ppm2 4.703 CV 1 ASSI { 748} (( segid " A" and resid 242 and name HD1 )) (( segid " A" and resid 242 and name HA )) 6.000 4.500 0.000 peak 748 spectrum 1 weight 0.10000E+01 volume 0.23869E-02 ppm1 2.952 ppm2 4.712 CV 1 ASSI { 749} (( segid " A" and resid 243 and name HB2 )) (( segid " A" and resid 242 and name HA )) 6.000 4.500 0.000 peak 749 spectrum 1 weight 0.10000E+01 volume 0.54677E-03 ppm1 2.379 ppm2 4.719 CV 1 ASSI { 750} (( segid " A" and resid 259 and name HE2 )) (( segid " A" and resid 259 and name HA )) 6.000 4.500 0.000 peak 750 spectrum 1 weight 0.10000E+01 volume 0.25425E-02 ppm1 3.042 ppm2 4.726 CV 1 OR { 750} (( segid " A" and resid 259 and name HE1 )) (( segid " A" and resid 259 and name HA )) ASSI { 751} (( segid " A" and resid 250 and name HE1 )) (( segid " A" and resid 242 and name HA )) 6.000 4.500 0.000 peak 751 spectrum 1 weight 0.10000E+01 volume 0.44246E-02 ppm1 2.984 ppm2 4.714 CV 1 ASSI { 752} (( segid " A" and resid 132 and name HB1 )) (( segid " A" and resid 132 and name HA )) 6.000 4.500 0.000 peak 752 spectrum 1 weight 0.10000E+01 volume 0.55445E-03 ppm1 2.847 ppm2 4.722 CV 1 ASSI { 753} (( segid " A" and resid 114 and name HB )) (( segid " A" and resid 114 and name HA )) 6.000 4.500 0.000 peak 753 spectrum 1 weight 0.10000E+01 volume 0.26063E-02 ppm1 2.095 ppm2 4.720 CV 1 ASSI { 754} (( segid " A" and resid 259 and name HB1 )) (( segid " A" and resid 259 and name HA )) 6.000 4.500 0.000 peak 754 spectrum 1 weight 0.10000E+01 volume 0.20453E-02 ppm1 2.016 ppm2 4.725 CV 1 ASSI { 755} (( segid " A" and resid 242 and name HB1 )) (( segid " A" and resid 242 and name HA )) 6.000 4.500 0.000 peak 755 spectrum 1 weight 0.10000E+01 volume 0.12615E-02 ppm1 1.628 ppm2 4.715 CV 1 ASSI { 756} (( segid " A" and resid 242 and name HB2 )) (( segid " A" and resid 242 and name HA )) 6.000 4.500 0.000 peak 756 spectrum 1 weight 0.10000E+01 volume 0.11253E-02 ppm1 1.371 ppm2 4.710 CV 1 ASSI { 757} (( segid " A" and resid 138 and name HG11)) (( segid " A" and resid 133 and name HA )) 6.000 4.500 0.000 peak 757 spectrum 1 weight 0.10000E+01 volume 0.43003E-03 ppm1 0.305 ppm2 4.700 CV 1 ASSI { 758} (( segid " A" and resid 138 and name HG12)) (( segid " A" and resid 133 and name HA )) 6.000 4.500 0.000 peak 758 spectrum 1 weight 0.10000E+01 volume 0.88513E-03 ppm1 1.885 ppm2 4.714 CV 1 ASSI { 759} (( segid " A" and resid 242 and name HG1 )) (( segid " A" and resid 242 and name HA )) 6.000 4.500 0.000 peak 759 spectrum 1 weight 0.10000E+01 volume 0.21923E-02 ppm1 1.582 ppm2 4.711 CV 1 ASSI { 760} (( segid " A" and resid 242 and name HG2 )) (( segid " A" and resid 242 and name HA )) 6.000 4.500 0.000 peak 760 spectrum 1 weight 0.10000E+01 volume 0.21209E-02 ppm1 1.329 ppm2 4.708 CV 1 ASSI { 761} ( segid " A" and resid 168 and name HD2%) (( segid " A" and resid 212 and name HA )) 6.000 4.500 0.000 peak 761 spectrum 1 weight 0.10000E+01 volume 0.10843E-02 ppm1 1.015 ppm2 4.715 CV 1 OR { 761} ( segid " A" and resid 168 and name HD2%) (( segid " A" and resid 132 and name HA )) ASSI { 762} (( segid " A" and resid 259 and name HG2 )) (( segid " A" and resid 259 and name HA )) 6.000 4.500 0.000 peak 762 spectrum 1 weight 0.10000E+01 volume 0.36300E-02 ppm1 1.478 ppm2 4.725 CV 1 ASSI { 763} ( segid " A" and resid 114 and name HG2%) (( segid " A" and resid 114 and name HA )) 6.000 4.500 0.000 peak 763 spectrum 1 weight 0.10000E+01 volume 0.85486E-02 ppm1 0.921 ppm2 4.721 CV 1 ASSI { 764} ( segid " A" and resid 158 and name HG1%) (( segid " A" and resid 132 and name HA )) 6.000 4.500 0.000 peak 764 spectrum 1 weight 0.10000E+01 volume 0.12756E-02 ppm1 0.130 ppm2 4.712 CV 1 OR { 764} ( segid " A" and resid 158 and name HG1%) (( segid " A" and resid 114 and name HA )) ASSI { 765} ( segid " A" and resid 114 and name HG1%) (( segid " A" and resid 114 and name HA )) 6.000 4.500 0.000 peak 765 spectrum 1 weight 0.10000E+01 volume 0.46473E-02 ppm1 0.886 ppm2 4.717 CV 1 ASSI { 766} ( segid " A" and resid 241 and name HB% ) (( segid " A" and resid 242 and name HA )) 6.000 4.500 0.000 peak 766 spectrum 1 weight 0.10000E+01 volume 0.14248E-02 ppm1 0.777 ppm2 4.714 CV 1 ASSI { 767} ( segid " A" and resid 131 and name HB% ) (( segid " A" and resid 132 and name HA )) 6.000 4.500 0.000 peak 767 spectrum 1 weight 0.10000E+01 volume 0.17102E-02 ppm1 1.452 ppm2 4.721 CV 1 OR { 767} ( segid " A" and resid 166 and name HB% ) (( segid " A" and resid 114 and name HA )) ASSI { 768} ( segid " A" and resid 260 and name HB% ) (( segid " A" and resid 259 and name HA )) 6.000 4.500 0.000 peak 768 spectrum 1 weight 0.10000E+01 volume 0.16723E-02 ppm1 1.415 ppm2 4.726 CV 1 ASSI { 769} ( segid " A" and resid 138 and name HG2%) (( segid " A" and resid 137 and name HA )) 6.000 4.500 0.000 peak 769 spectrum 1 weight 0.10000E+01 volume 0.16885E-02 ppm1 0.537 ppm2 4.676 CV 1 ASSI { 770} ( segid " A" and resid 133 and name HB% ) (( segid " A" and resid 133 and name HA )) 6.000 4.500 0.000 peak 770 spectrum 1 weight 0.10000E+01 volume 0.12778E-01 ppm1 1.607 ppm2 4.701 CV 1 ASSI { 771} ( segid " A" and resid 138 and name HD1%) (( segid " A" and resid 133 and name HA )) 6.000 4.500 0.000 peak 771 spectrum 1 weight 0.10000E+01 volume 0.51413E-02 ppm1 0.761 ppm2 4.702 CV 1 ASSI { 773} (( segid " A" and resid 287 and name HB )) (( segid " A" and resid 287 and name HA )) 6.000 4.500 0.000 peak 773 spectrum 1 weight 0.10000E+01 volume 0.22236E-02 ppm1 4.195 ppm2 4.647 CV 1 ASSI { 774} (( segid " A" and resid 118 and name HB2 )) (( segid " A" and resid 183 and name HA )) 6.000 4.500 0.000 peak 774 spectrum 1 weight 0.10000E+01 volume 0.16626E-02 ppm1 4.342 ppm2 4.657 CV 1 ASSI { 775} (( segid " A" and resid 118 and name HB1 )) (( segid " A" and resid 183 and name HA )) 6.000 4.500 0.000 peak 775 spectrum 1 weight 0.10000E+01 volume 0.26690E-02 ppm1 4.004 ppm2 4.654 CV 1 ASSI { 776} (( segid " A" and resid 288 and name HD2 )) (( segid " A" and resid 287 and name HA )) 6.000 4.500 0.000 peak 776 spectrum 1 weight 0.10000E+01 volume 0.87410E-03 ppm1 3.921 ppm2 4.655 CV 1 ASSI { 777} (( segid " A" and resid 183 and name HB )) (( segid " A" and resid 183 and name HA )) 6.000 4.500 0.000 peak 777 spectrum 1 weight 0.10000E+01 volume 0.15718E-02 ppm1 2.013 ppm2 4.653 CV 1 ASSI { 778} (( segid " A" and resid 137 and name HB1 )) (( segid " A" and resid 137 and name HA )) 6.000 4.500 0.000 peak 778 spectrum 1 weight 0.10000E+01 volume 0.29003E-02 ppm1 2.348 ppm2 4.647 CV 1 ASSI { 779} (( segid " A" and resid 137 and name HB2 )) (( segid " A" and resid 137 and name HA )) 6.000 4.500 0.000 peak 779 spectrum 1 weight 0.10000E+01 volume 0.22398E-02 ppm1 2.055 ppm2 4.651 CV 1 ASSI { 780} (( segid " A" and resid 137 and name HG1 )) (( segid " A" and resid 137 and name HA )) 6.000 4.500 0.000 peak 780 spectrum 1 weight 0.10000E+01 volume 0.94631E-03 ppm1 2.293 ppm2 4.649 CV 1 ASSI { 781} (( segid " A" and resid 137 and name HG2 )) (( segid " A" and resid 137 and name HA )) 6.000 4.500 0.000 peak 781 spectrum 1 weight 0.10000E+01 volume 0.10464E-02 ppm1 2.199 ppm2 4.652 CV 1 ASSI { 782} ( segid " A" and resid 201 and name HD1%) (( segid " A" and resid 287 and name HA )) 6.000 4.500 0.000 peak 782 spectrum 1 weight 0.10000E+01 volume 0.81854E-03 ppm1 0.791 ppm2 4.653 CV 1 ASSI { 783} ( segid " A" and resid 287 and name HG2%) (( segid " A" and resid 287 and name HA )) 6.000 4.500 0.000 peak 783 spectrum 1 weight 0.10000E+01 volume 0.48894E-02 ppm1 1.080 ppm2 4.649 CV 1 ASSI { 784} ( segid " A" and resid 183 and name HG2%) (( segid " A" and resid 183 and name HA )) 6.000 4.500 0.000 peak 784 spectrum 1 weight 0.10000E+01 volume 0.83378E-02 ppm1 0.945 ppm2 4.649 CV 1 ASSI { 785} ( segid " A" and resid 205 and name HB% ) (( segid " A" and resid 287 and name HA )) 6.000 4.500 0.000 peak 785 spectrum 1 weight 0.10000E+01 volume 0.35630E-02 ppm1 1.144 ppm2 4.649 CV 1 ASSI { 787} ( segid " A" and resid 111 and name HE% ) (( segid " A" and resid 287 and name HA )) 6.000 4.500 0.000 peak 787 spectrum 1 weight 0.10000E+01 volume 0.99074E-03 ppm1 1.964 ppm2 4.644 CV 1 ASSI { 788} (( segid " A" and resid 178 and name HB1 )) (( segid " A" and resid 178 and name HA )) 6.000 4.500 0.000 peak 788 spectrum 1 weight 0.10000E+01 volume 0.29198E-02 ppm1 1.577 ppm2 4.630 CV 1 ASSI { 789} (( segid " A" and resid 178 and name HB2 )) (( segid " A" and resid 178 and name HA )) 6.000 4.500 0.000 peak 789 spectrum 1 weight 0.10000E+01 volume 0.28852E-02 ppm1 1.405 ppm2 4.629 CV 1 ASSI { 793} ( segid " A" and resid 178 and name HD2%) (( segid " A" and resid 178 and name HA )) 6.000 4.500 0.000 peak 793 spectrum 1 weight 0.10000E+01 volume 0.16723E-01 ppm1 0.814 ppm2 4.630 CV 1 OR { 793} ( segid " A" and resid 178 and name HD1%) (( segid " A" and resid 178 and name HA )) ASSI { 794} ( segid " A" and resid 183 and name HD1%) (( segid " A" and resid 183 and name HA )) 6.000 4.500 0.000 peak 794 spectrum 1 weight 0.10000E+01 volume 0.24247E-02 ppm1 0.868 ppm2 4.641 CV 1 ASSI { 796} (( segid " A" and resid 220 and name HB1 )) (( segid " A" and resid 220 and name HA )) 6.000 4.500 0.000 peak 796 spectrum 1 weight 0.10000E+01 volume 0.53986E-03 ppm1 1.991 ppm2 4.595 CV 1 ASSI { 797} (( segid " A" and resid 220 and name HB2 )) (( segid " A" and resid 220 and name HA )) 6.000 4.500 0.000 peak 797 spectrum 1 weight 0.10000E+01 volume 0.64169E-03 ppm1 1.289 ppm2 4.600 CV 1 ASSI { 798} (( segid " A" and resid 240 and name HB1 )) (( segid " A" and resid 240 and name HA )) 6.000 4.500 0.000 peak 798 spectrum 1 weight 0.10000E+01 volume 0.45024E-03 ppm1 0.746 ppm2 4.592 CV 1 ASSI { 799} (( segid " A" and resid 213 and name HB )) (( segid " A" and resid 213 and name HA )) 6.000 4.500 0.000 peak 799 spectrum 1 weight 0.10000E+01 volume 0.19566E-02 ppm1 1.220 ppm2 4.592 CV 1 ASSI { 800} (( segid " A" and resid 177 and name HB1 )) (( segid " A" and resid 177 and name HA )) 6.000 4.500 0.000 peak 800 spectrum 1 weight 0.10000E+01 volume 0.45629E-02 ppm1 1.903 ppm2 4.604 CV 1 ASSI { 801} (( segid " A" and resid 177 and name HB2 )) (( segid " A" and resid 177 and name HA )) 6.000 4.500 0.000 peak 801 spectrum 1 weight 0.10000E+01 volume 0.40462E-02 ppm1 1.783 ppm2 4.595 CV 1 ASSI { 802} (( segid " A" and resid 145 and name HB1 )) (( segid " A" and resid 145 and name HA )) 6.000 4.500 0.000 peak 802 spectrum 1 weight 0.10000E+01 volume 0.12280E-02 ppm1 3.060 ppm2 4.592 CV 1 ASSI { 803} (( segid " A" and resid 145 and name HB2 )) (( segid " A" and resid 145 and name HA )) 6.000 4.500 0.000 peak 803 spectrum 1 weight 0.10000E+01 volume 0.11891E-02 ppm1 3.001 ppm2 4.594 CV 1 ASSI { 804} ( segid " A" and resid 220 and name HD2%) (( segid " A" and resid 220 and name HA )) 6.000 4.500 0.000 peak 804 spectrum 1 weight 0.10000E+01 volume 0.18874E-02 ppm1 0.904 ppm2 4.607 CV 1 ASSI { 805} (( segid " A" and resid 225 and name HG12)) (( segid " A" and resid 220 and name HA )) 6.000 4.500 0.000 peak 805 spectrum 1 weight 0.10000E+01 volume 0.47910E-02 ppm1 1.536 ppm2 4.616 CV 1 OR { 805} (( segid " A" and resid 281 and name HG1 )) (( segid " A" and resid 213 and name HA )) OR { 805} (( segid " A" and resid 181 and name HG1 )) (( segid " A" and resid 177 and name HA )) ASSI { 806} ( segid " A" and resid 220 and name HD1%) (( segid " A" and resid 220 and name HA )) 6.000 4.500 0.000 peak 806 spectrum 1 weight 0.10000E+01 volume 0.79930E-02 ppm1 0.693 ppm2 4.603 CV 1 ASSI { 807} ( segid " A" and resid 214 and name HB% ) (( segid " A" and resid 213 and name HA )) 6.000 4.500 0.000 peak 807 spectrum 1 weight 0.10000E+01 volume 0.20312E-02 ppm1 1.272 ppm2 4.596 CV 1 ASSI { 808} ( segid " A" and resid 138 and name HG2%) (( segid " A" and resid 141 and name HA )) 6.000 4.500 0.000 peak 808 spectrum 1 weight 0.10000E+01 volume 0.22150E-02 ppm1 0.534 ppm2 4.592 CV 1 OR { 808} ( segid " A" and resid 128 and name HG2%) (( segid " A" and resid 116 and name HA )) ASSI { 809} ( segid " A" and resid 177 and name HE% ) (( segid " A" and resid 177 and name HA )) 6.000 4.500 0.000 peak 809 spectrum 1 weight 0.10000E+01 volume 0.12702E-01 ppm1 1.918 ppm2 4.607 CV 1 ASSI { 810} ( segid " A" and resid 225 and name HD1%) (( segid " A" and resid 220 and name HA )) 6.000 4.500 0.000 peak 810 spectrum 1 weight 0.10000E+01 volume 0.89075E-03 ppm1 0.633 ppm2 4.591 CV 1 ASSI { 811} ( segid " A" and resid 128 and name HD1%) (( segid " A" and resid 116 and name HA )) 6.000 4.500 0.000 peak 811 spectrum 1 weight 0.10000E+01 volume 0.58018E-03 ppm1 0.485 ppm2 4.605 CV 1 OR { 811} ( segid " A" and resid 128 and name HD1%) (( segid " A" and resid 141 and name HA )) ASSI { 812} (( segid " A" and resid 158 and name HA )) (( segid " A" and resid 141 and name HA )) 6.000 4.500 0.000 peak 812 spectrum 1 weight 0.10000E+01 volume 0.15739E-02 ppm1 4.082 ppm2 4.584 CV 1 ASSI { 813} (( segid " A" and resid 282 and name HA )) (( segid " A" and resid 213 and name HA )) 6.000 4.500 0.000 peak 813 spectrum 1 weight 0.10000E+01 volume 0.28139E-02 ppm1 5.363 ppm2 4.578 CV 1 ASSI { 814} (( segid " A" and resid 182 and name HA )) (( segid " A" and resid 177 and name HA )) 6.000 4.500 0.000 peak 814 spectrum 1 weight 0.10000E+01 volume 0.55499E-02 ppm1 4.846 ppm2 4.581 CV 1 ASSI { 815} (( segid " A" and resid 283 and name HA2 )) (( segid " A" and resid 283 and name HA1 )) 6.000 4.500 0.000 peak 815 spectrum 1 weight 0.10000E+01 volume 0.28376E-02 ppm1 4.024 ppm2 4.568 CV 1 ASSI { 816} (( segid " A" and resid 151 and name HE2 )) (( segid " A" and resid 151 and name HA )) 6.000 4.500 0.000 peak 816 spectrum 1 weight 0.10000E+01 volume 0.10907E-02 ppm1 2.733 ppm2 4.572 CV 1 OR { 816} (( segid " A" and resid 151 and name HE1 )) (( segid " A" and resid 151 and name HA )) OR { 816} (( segid " A" and resid 157 and name HB2 )) (( segid " A" and resid 141 and name HA )) ASSI { 817} (( segid " A" and resid 240 and name HB2 )) (( segid " A" and resid 240 and name HA )) 6.000 4.500 0.000 peak 817 spectrum 1 weight 0.10000E+01 volume 0.62785E-03 ppm1 1.468 ppm2 4.580 CV 1 ASSI { 818} (( segid " A" and resid 141 and name HB )) (( segid " A" and resid 141 and name HA )) 6.000 4.500 0.000 peak 818 spectrum 1 weight 0.10000E+01 volume 0.12691E-02 ppm1 1.626 ppm2 4.580 CV 1 ASSI { 819} (( segid " A" and resid 115 and name HB1 )) (( segid " A" and resid 116 and name HA )) 6.000 4.500 0.000 peak 819 spectrum 1 weight 0.10000E+01 volume 0.11297E-02 ppm1 2.489 ppm2 4.580 CV 1 OR { 819} (( segid " A" and resid 182 and name HB2 )) (( segid " A" and resid 177 and name HA )) OR { 819} (( segid " A" and resid 182 and name HB1 )) (( segid " A" and resid 177 and name HA )) ASSI { 820} (( segid " A" and resid 151 and name HB2 )) (( segid " A" and resid 151 and name HA )) 6.000 4.500 0.000 peak 820 spectrum 1 weight 0.10000E+01 volume 0.11740E-02 ppm1 1.652 ppm2 4.583 CV 1 ASSI { 821} (( segid " A" and resid 151 and name HB1 )) (( segid " A" and resid 151 and name HA )) 6.000 4.500 0.000 peak 821 spectrum 1 weight 0.10000E+01 volume 0.95464E-03 ppm1 1.377 ppm2 4.578 CV 1 ASSI { 822} (( segid " A" and resid 116 and name HB )) (( segid " A" and resid 116 and name HA )) 6.000 4.500 0.000 peak 822 spectrum 1 weight 0.10000E+01 volume 0.49186E-03 ppm1 1.562 ppm2 4.579 CV 1 ASSI { 823} (( segid " A" and resid 177 and name HG2 )) (( segid " A" and resid 177 and name HA )) 6.000 4.500 0.000 peak 823 spectrum 1 weight 0.10000E+01 volume 0.44743E-02 ppm1 2.285 ppm2 4.584 CV 1 ASSI { 824} (( segid " A" and resid 151 and name HD1 )) (( segid " A" and resid 151 and name HA )) 6.000 4.500 0.000 peak 824 spectrum 1 weight 0.10000E+01 volume 0.14486E-02 ppm1 1.378 ppm2 4.579 CV 1 ASSI { 825} (( segid " A" and resid 151 and name HD2 )) (( segid " A" and resid 151 and name HA )) 6.000 4.500 0.000 peak 825 spectrum 1 weight 0.10000E+01 volume 0.10588E-02 ppm1 1.301 ppm2 4.574 CV 1 ASSI { 826} (( segid " A" and resid 141 and name HG12)) (( segid " A" and resid 141 and name HA )) 6.000 4.500 0.000 peak 826 spectrum 1 weight 0.10000E+01 volume 0.12248E-02 ppm1 1.492 ppm2 4.582 CV 1 ASSI { 827} (( segid " A" and resid 141 and name HG11)) (( segid " A" and resid 141 and name HA )) 6.000 4.500 0.000 peak 827 spectrum 1 weight 0.10000E+01 volume 0.91994E-03 ppm1 0.830 ppm2 4.578 CV 1 ASSI { 828} ( segid " A" and resid 168 and name HD2%) (( segid " A" and resid 283 and name HA1 )) 6.000 4.500 0.000 peak 828 spectrum 1 weight 0.10000E+01 volume 0.18561E-02 ppm1 1.013 ppm2 4.566 CV 1 ASSI { 829} (( segid " A" and resid 151 and name HG1 )) (( segid " A" and resid 151 and name HA )) 6.000 4.500 0.000 peak 829 spectrum 1 weight 0.10000E+01 volume 0.17902E-02 ppm1 1.219 ppm2 4.581 CV 1 OR { 829} (( segid " A" and resid 151 and name HG2 )) (( segid " A" and resid 151 and name HA )) ASSI { 830} ( segid " A" and resid 240 and name HD1%) (( segid " A" and resid 240 and name HA )) 6.000 4.500 0.000 peak 830 spectrum 1 weight 0.10000E+01 volume 0.20755E-02 ppm1 -0.086 ppm2 4.578 CV 1 ASSI { 831} ( segid " A" and resid 168 and name HD1%) (( segid " A" and resid 283 and name HA1 )) 6.000 4.500 0.000 peak 831 spectrum 1 weight 0.10000E+01 volume 0.50786E-02 ppm1 0.897 ppm2 4.567 CV 1 ASSI { 832} ( segid " A" and resid 282 and name HG1%) (( segid " A" and resid 213 and name HA )) 6.000 4.500 0.000 peak 832 spectrum 1 weight 0.10000E+01 volume 0.79378E-02 ppm1 0.987 ppm2 4.571 CV 1 OR { 832} ( segid " A" and resid 185 and name HG1%) (( segid " A" and resid 116 and name HA )) ASSI { 834} ( segid " A" and resid 116 and name HG2%) (( segid " A" and resid 116 and name HA )) 6.000 4.500 0.000 peak 834 spectrum 1 weight 0.10000E+01 volume 0.47856E-02 ppm1 0.712 ppm2 4.579 CV 1 ASSI { 835} ( segid " A" and resid 116 and name HG1%) (( segid " A" and resid 116 and name HA )) 6.000 4.500 0.000 peak 835 spectrum 1 weight 0.10000E+01 volume 0.35403E-02 ppm1 0.289 ppm2 4.577 CV 1 ASSI { 836} ( segid " A" and resid 240 and name HD2%) (( segid " A" and resid 240 and name HA )) 6.000 4.500 0.000 peak 836 spectrum 1 weight 0.10000E+01 volume 0.66504E-02 ppm1 0.083 ppm2 4.572 CV 1 ASSI { 837} ( segid " A" and resid 213 and name HG1%) (( segid " A" and resid 213 and name HA )) 6.000 4.500 0.000 peak 837 spectrum 1 weight 0.10000E+01 volume 0.53456E-02 ppm1 0.341 ppm2 4.585 CV 1 ASSI { 838} ( segid " A" and resid 213 and name HG2%) (( segid " A" and resid 213 and name HA )) 6.000 4.500 0.000 peak 838 spectrum 1 weight 0.10000E+01 volume 0.52591E-02 ppm1 0.404 ppm2 4.587 CV 1 ASSI { 839} ( segid " A" and resid 158 and name HG1%) (( segid " A" and resid 141 and name HA )) 6.000 4.500 0.000 peak 839 spectrum 1 weight 0.10000E+01 volume 0.17199E-02 ppm1 0.131 ppm2 4.584 CV 1 ASSI { 840} ( segid " A" and resid 158 and name HG2%) (( segid " A" and resid 141 and name HA )) 6.000 4.500 0.000 peak 840 spectrum 1 weight 0.10000E+01 volume 0.21177E-02 ppm1 0.030 ppm2 4.579 CV 1 ASSI { 841} ( segid " A" and resid 241 and name HB% ) (( segid " A" and resid 240 and name HA )) 6.000 4.500 0.000 peak 841 spectrum 1 weight 0.10000E+01 volume 0.14269E-02 ppm1 0.776 ppm2 4.568 CV 1 ASSI { 842} ( segid " A" and resid 119 and name HG2%) (( segid " A" and resid 151 and name HA )) 6.000 4.500 0.000 peak 842 spectrum 1 weight 0.10000E+01 volume 0.73595E-03 ppm1 0.691 ppm2 4.567 CV 1 OR { 842} ( segid " A" and resid 119 and name HG2%) (( segid " A" and resid 116 and name HA )) ASSI { 843} ( segid " A" and resid 141 and name HG2%) (( segid " A" and resid 141 and name HA )) 6.000 4.500 0.000 peak 843 spectrum 1 weight 0.10000E+01 volume 0.57693E-02 ppm1 0.593 ppm2 4.582 CV 1 ASSI { 844} ( segid " A" and resid 211 and name HD1%) (( segid " A" and resid 213 and name HA )) 6.000 4.500 0.000 peak 844 spectrum 1 weight 0.10000E+01 volume 0.73303E-03 ppm1 0.738 ppm2 4.587 CV 1 OR { 844} ( segid " A" and resid 211 and name HD1%) (( segid " A" and resid 283 and name HA1 )) ASSI { 845} ( segid " A" and resid 141 and name HD1%) (( segid " A" and resid 141 and name HA )) 6.000 4.500 0.000 peak 845 spectrum 1 weight 0.10000E+01 volume 0.32538E-02 ppm1 0.739 ppm2 4.579 CV 1 ASSI { 846} (( segid " A" and resid 269 and name HB2 )) (( segid " A" and resid 269 and name HA )) 6.000 4.500 0.000 peak 846 spectrum 1 weight 0.10000E+01 volume 0.17426E-02 ppm1 3.519 ppm2 4.554 CV 1 ASSI { 847} (( segid " A" and resid 238 and name HA )) (( segid " A" and resid 255 and name HA )) 6.000 4.500 0.000 peak 847 spectrum 1 weight 0.10000E+01 volume 0.18820E-02 ppm1 4.772 ppm2 4.539 CV 1 ASSI { 848} (( segid " A" and resid 255 and name HG11)) (( segid " A" and resid 255 and name HA )) 6.000 4.500 0.000 peak 848 spectrum 1 weight 0.10000E+01 volume 0.65736E-03 ppm1 1.066 ppm2 4.542 CV 1 ASSI { 849} (( segid " A" and resid 255 and name HG12)) (( segid " A" and resid 255 and name HA )) 6.000 4.500 0.000 peak 849 spectrum 1 weight 0.10000E+01 volume 0.49748E-03 ppm1 0.567 ppm2 4.548 CV 1 ASSI { 850} (( segid " A" and resid 240 and name HG )) (( segid " A" and resid 240 and name HA )) 6.000 4.500 0.000 peak 850 spectrum 1 weight 0.10000E+01 volume 0.79097E-03 ppm1 1.123 ppm2 4.558 CV 1 ASSI { 851} ( segid " A" and resid 266 and name HB% ) (( segid " A" and resid 233 and name HA1 )) 6.000 4.500 0.000 peak 851 spectrum 1 weight 0.10000E+01 volume 0.48083E-03 ppm1 1.247 ppm2 4.542 CV 1 OR { 851} ( segid " A" and resid 266 and name HB% ) (( segid " A" and resid 269 and name HA )) ASSI { 852} ( segid " A" and resid 255 and name HG2%) (( segid " A" and resid 255 and name HA )) 6.000 4.500 0.000 peak 852 spectrum 1 weight 0.10000E+01 volume 0.32106E-02 ppm1 0.219 ppm2 4.544 CV 1 ASSI { 853} ( segid " A" and resid 235 and name HD1%) (( segid " A" and resid 255 and name HA )) 6.000 4.500 0.000 peak 853 spectrum 1 weight 0.10000E+01 volume 0.82340E-03 ppm1 0.682 ppm2 4.540 CV 1 ASSI { 854} ( segid " A" and resid 255 and name HD1%) (( segid " A" and resid 255 and name HA )) 6.000 4.500 0.000 peak 854 spectrum 1 weight 0.10000E+01 volume 0.17339E-02 ppm1 -0.126 ppm2 4.546 CV 1 ASSI { 855} (( segid " A" and resid 124 and name HA1 )) (( segid " A" and resid 124 and name HA2 )) 6.000 4.500 0.000 peak 855 spectrum 1 weight 0.10000E+01 volume 0.53607E-02 ppm1 3.903 ppm2 4.516 CV 1 ASSI { 856} (( segid " A" and resid 202 and name HA )) (( segid " A" and resid 286 and name HA )) 6.000 4.500 0.000 peak 856 spectrum 1 weight 0.10000E+01 volume 0.15923E-02 ppm1 3.914 ppm2 4.494 CV 1 ASSI { 857} (( segid " A" and resid 115 and name HB2 )) (( segid " A" and resid 115 and name HA )) 6.000 4.500 0.000 peak 857 spectrum 1 weight 0.10000E+01 volume 0.45792E-03 ppm1 2.358 ppm2 4.492 CV 1 ASSI { 858} (( segid " A" and resid 197 and name HB )) (( segid " A" and resid 194 and name HA )) 6.000 4.500 0.000 peak 858 spectrum 1 weight 0.10000E+01 volume 0.94913E-03 ppm1 1.995 ppm2 4.481 CV 1 ASSI { 859} (( segid " A" and resid 286 and name HB )) (( segid " A" and resid 286 and name HA )) 6.000 4.500 0.000 peak 859 spectrum 1 weight 0.10000E+01 volume 0.36689E-02 ppm1 2.370 ppm2 4.488 CV 1 ASSI { 861} (( segid " A" and resid 193 and name HB1 )) (( segid " A" and resid 194 and name HA )) 6.000 4.500 0.000 peak 861 spectrum 1 weight 0.10000E+01 volume 0.76449E-03 ppm1 2.133 ppm2 4.483 CV 1 ASSI { 862} ( segid " A" and resid 170 and name HD2%) (( segid " A" and resid 186 and name HA1 )) 6.000 4.500 0.000 peak 862 spectrum 1 weight 0.10000E+01 volume 0.75260E-02 ppm1 0.802 ppm2 4.484 CV 1 ASSI { 863} ( segid " A" and resid 286 and name HG1%) (( segid " A" and resid 286 and name HA )) 6.000 4.500 0.000 peak 863 spectrum 1 weight 0.10000E+01 volume 0.10454E-01 ppm1 0.781 ppm2 4.501 CV 1 ASSI { 864} ( segid " A" and resid 194 and name HB% ) (( segid " A" and resid 194 and name HA )) 6.000 4.500 0.000 peak 864 spectrum 1 weight 0.10000E+01 volume 0.13221E-01 ppm1 1.429 ppm2 4.492 CV 1 ASSI { 865} ( segid " A" and resid 286 and name HG2%) (( segid " A" and resid 286 and name HA )) 6.000 4.500 0.000 peak 865 spectrum 1 weight 0.10000E+01 volume 0.42689E-02 ppm1 0.551 ppm2 4.501 CV 1 ASSI { 866} ( segid " A" and resid 107 and name HB% ) (( segid " A" and resid 194 and name HA )) 6.000 4.500 0.000 peak 866 spectrum 1 weight 0.10000E+01 volume 0.25393E-02 ppm1 1.473 ppm2 4.490 CV 1 ASSI { 867} ( segid " A" and resid 205 and name HB% ) (( segid " A" and resid 286 and name HA )) 6.000 4.500 0.000 peak 867 spectrum 1 weight 0.10000E+01 volume 0.49597E-02 ppm1 1.145 ppm2 4.495 CV 1 ASSI { 868} ( segid " A" and resid 197 and name HG2%) (( segid " A" and resid 194 and name HA )) 6.000 4.500 0.000 peak 868 spectrum 1 weight 0.10000E+01 volume 0.13988E-02 ppm1 0.877 ppm2 4.484 CV 1 ASSI { 869} ( segid " A" and resid 111 and name HE% ) (( segid " A" and resid 286 and name HA )) 6.000 4.500 0.000 peak 869 spectrum 1 weight 0.10000E+01 volume 0.15285E-02 ppm1 1.964 ppm2 4.503 CV 1 ASSI { 870} ( segid " A" and resid 143 and name HE% ) (( segid " A" and resid 124 and name HA2 )) 6.000 4.500 0.000 peak 870 spectrum 1 weight 0.10000E+01 volume 0.14518E-02 ppm1 1.267 ppm2 4.501 CV 1 ASSI { 871} ( segid " A" and resid 141 and name HD1%) (( segid " A" and resid 140 and name HA )) 6.000 4.500 0.000 peak 871 spectrum 1 weight 0.10000E+01 volume 0.29522E-02 ppm1 0.730 ppm2 4.505 CV 1 OR { 871} ( segid " A" and resid 198 and name HD1%) (( segid " A" and resid 194 and name HA )) OR { 871} ( segid " A" and resid 110 and name HD1%) (( segid " A" and resid 194 and name HA )) ASSI { 872} ( segid " A" and resid 197 and name HD1%) (( segid " A" and resid 194 and name HA )) 6.000 4.500 0.000 peak 872 spectrum 1 weight 0.10000E+01 volume 0.35630E-02 ppm1 0.786 ppm2 4.491 CV 1 ASSI { 873} (( segid " A" and resid 140 and name HB1 )) (( segid " A" and resid 140 and name HA )) 6.000 4.500 0.000 peak 873 spectrum 1 weight 0.10000E+01 volume 0.97161E-02 ppm1 3.733 ppm2 4.478 CV 1 ASSI { 874} (( segid " A" and resid 140 and name HB2 )) (( segid " A" and resid 140 and name HA )) 6.000 4.500 0.000 peak 874 spectrum 1 weight 0.10000E+01 volume 0.12572E-01 ppm1 3.674 ppm2 4.477 CV 1 ASSI { 875} (( segid " A" and resid 144 and name HB2 )) (( segid " A" and resid 144 and name HA )) 6.000 4.500 0.000 peak 875 spectrum 1 weight 0.10000E+01 volume 0.34571E-02 ppm1 3.458 ppm2 4.470 CV 1 ASSI { 876} (( segid " A" and resid 144 and name HB1 )) (( segid " A" and resid 144 and name HA )) 6.000 4.500 0.000 peak 876 spectrum 1 weight 0.10000E+01 volume 0.14853E-02 ppm1 3.170 ppm2 4.468 CV 1 ASSI { 877} (( segid " A" and resid 215 and name HB2 )) (( segid " A" and resid 215 and name HB1 )) 6.000 4.500 0.000 peak 877 spectrum 1 weight 0.10000E+01 volume 0.51326E-02 ppm1 4.187 ppm2 4.454 CV 1 ASSI { 878} (( segid " A" and resid 157 and name HA )) (( segid " A" and resid 115 and name HA )) 6.000 4.500 0.000 peak 878 spectrum 1 weight 0.10000E+01 volume 0.65444E-03 ppm1 5.454 ppm2 4.475 CV 1 ASSI { 879} (( segid " A" and resid 281 and name HA )) (( segid " A" and resid 271 and name HA )) 6.000 4.500 0.000 peak 879 spectrum 1 weight 0.10000E+01 volume 0.78016E-03 ppm1 5.272 ppm2 4.456 CV 1 ASSI { 880} (( segid " A" and resid 196 and name HD1 )) (( segid " A" and resid 196 and name HA )) 6.000 4.500 0.000 peak 880 spectrum 1 weight 0.10000E+01 volume 0.89907E-03 ppm1 3.501 ppm2 4.453 CV 1 ASSI { 881} (( segid " A" and resid 280 and name HB1 )) (( segid " A" and resid 280 and name HA )) 6.000 4.500 0.000 peak 881 spectrum 1 weight 0.10000E+01 volume 0.59682E-03 ppm1 1.349 ppm2 4.459 CV 1 ASSI { 882} (( segid " A" and resid 115 and name HB1 )) (( segid " A" and resid 115 and name HA )) 6.000 4.500 0.000 peak 882 spectrum 1 weight 0.10000E+01 volume 0.91713E-03 ppm1 2.475 ppm2 4.456 CV 1 ASSI { 883} (( segid " A" and resid 282 and name HB )) (( segid " A" and resid 271 and name HA )) 6.000 4.500 0.000 peak 883 spectrum 1 weight 0.10000E+01 volume 0.17480E-02 ppm1 1.777 ppm2 4.457 CV 1 ASSI { 884} (( segid " A" and resid 185 and name HB )) (( segid " A" and resid 174 and name HA )) 6.000 4.500 0.000 peak 884 spectrum 1 weight 0.10000E+01 volume 0.20561E-02 ppm1 1.879 ppm2 4.457 CV 1 ASSI { 885} (( segid " A" and resid 172 and name HB1 )) (( segid " A" and resid 172 and name HA )) 6.000 4.500 0.000 peak 885 spectrum 1 weight 0.10000E+01 volume 0.11005E-02 ppm1 2.373 ppm2 4.454 CV 1 ASSI { 886} ( segid " A" and resid 280 and name HD1%) (( segid " A" and resid 280 and name HA )) 6.000 4.500 0.000 peak 886 spectrum 1 weight 0.10000E+01 volume 0.18399E-02 ppm1 1.050 ppm2 4.468 CV 1 ASSI { 887} ( segid " A" and resid 280 and name HD2%) (( segid " A" and resid 280 and name HA )) 6.000 4.500 0.000 peak 887 spectrum 1 weight 0.10000E+01 volume 0.77487E-02 ppm1 0.869 ppm2 4.468 CV 1 ASSI { 888} ( segid " A" and resid 214 and name HB% ) (( segid " A" and resid 215 and name HB1 )) 6.000 4.500 0.000 peak 888 spectrum 1 weight 0.10000E+01 volume 0.14842E-02 ppm1 1.271 ppm2 4.457 CV 1 ASSI { 889} ( segid " A" and resid 282 and name HG1%) (( segid " A" and resid 271 and name HA )) 6.000 4.500 0.000 peak 889 spectrum 1 weight 0.10000E+01 volume 0.11134E-01 ppm1 0.987 ppm2 4.461 CV 1 OR { 889} ( segid " A" and resid 185 and name HG1%) (( segid " A" and resid 186 and name HA1 )) ASSI { 890} ( segid " A" and resid 114 and name HG1%) (( segid " A" and resid 115 and name HA )) 6.000 4.500 0.000 peak 890 spectrum 1 weight 0.10000E+01 volume 0.13188E-02 ppm1 0.886 ppm2 4.471 CV 1 OR { 890} ( segid " A" and resid 176 and name HG2%) (( segid " A" and resid 172 and name HA )) ASSI { 892} ( segid " A" and resid 138 and name HG2%) (( segid " A" and resid 140 and name HA )) 6.000 4.500 0.000 peak 892 spectrum 1 weight 0.10000E+01 volume 0.22042E-02 ppm1 0.535 ppm2 4.479 CV 1 ASSI { 893} ( segid " A" and resid 173 and name HE% ) (( segid " A" and resid 172 and name HA )) 6.000 4.500 0.000 peak 893 spectrum 1 weight 0.10000E+01 volume 0.83616E-03 ppm1 1.385 ppm2 4.458 CV 1 OR { 893} ( segid " A" and resid 173 and name HE% ) (( segid " A" and resid 174 and name HA )) OR { 893} ( segid " A" and resid 173 and name HE% ) (( segid " A" and resid 215 and name HB1 )) ASSI { 894} ( segid " A" and resid 270 and name HE% ) (( segid " A" and resid 271 and name HA )) 6.000 4.500 0.000 peak 894 spectrum 1 weight 0.10000E+01 volume 0.71725E-03 ppm1 0.185 ppm2 4.475 CV 1 OR { 894} ( segid " A" and resid 270 and name HE% ) (( segid " A" and resid 280 and name HA )) ASSI { 895} (( segid " A" and resid 189 and name HB1 )) (( segid " A" and resid 189 and name HA )) 6.000 4.500 0.000 peak 895 spectrum 1 weight 0.10000E+01 volume 0.28690E-02 ppm1 4.743 ppm2 4.443 CV 1 OR { 895} (( segid " A" and resid 189 and name HB2 )) (( segid " A" and resid 189 and name HA )) ASSI { 896} (( segid " A" and resid 215 and name HA )) (( segid " A" and resid 215 and name HB1 )) 6.000 4.500 0.000 peak 896 spectrum 1 weight 0.10000E+01 volume 0.26809E-02 ppm1 3.845 ppm2 4.452 CV 1 ASSI { 897} (( segid " A" and resid 196 and name HD2 )) (( segid " A" and resid 196 and name HA )) 6.000 4.500 0.000 peak 897 spectrum 1 weight 0.10000E+01 volume 0.47867E-03 ppm1 3.682 ppm2 4.435 CV 1 ASSI { 898} (( segid " A" and resid 280 and name HB2 )) (( segid " A" and resid 280 and name HA )) 6.000 4.500 0.000 peak 898 spectrum 1 weight 0.10000E+01 volume 0.50580E-03 ppm1 2.264 ppm2 4.452 CV 1 ASSI { 899} (( segid " A" and resid 174 and name HB2 )) (( segid " A" and resid 174 and name HA )) 6.000 4.500 0.000 peak 899 spectrum 1 weight 0.10000E+01 volume 0.32225E-02 ppm1 2.961 ppm2 4.452 CV 1 ASSI { 900} (( segid " A" and resid 174 and name HB1 )) (( segid " A" and resid 174 and name HA )) 6.000 4.500 0.000 peak 900 spectrum 1 weight 0.10000E+01 volume 0.31360E-02 ppm1 2.865 ppm2 4.452 CV 1 ASSI { 901} (( segid " A" and resid 172 and name HG2 )) (( segid " A" and resid 172 and name HA )) 6.000 4.500 0.000 peak 901 spectrum 1 weight 0.10000E+01 volume 0.15491E-02 ppm1 2.766 ppm2 4.448 CV 1 ASSI { 902} (( segid " A" and resid 172 and name HG1 )) (( segid " A" and resid 172 and name HA )) 6.000 4.500 0.000 peak 902 spectrum 1 weight 0.10000E+01 volume 0.22507E-02 ppm1 2.395 ppm2 4.446 CV 1 ASSI { 903} (( segid " A" and resid 196 and name HB1 )) (( segid " A" and resid 196 and name HA )) 6.000 4.500 0.000 peak 903 spectrum 1 weight 0.10000E+01 volume 0.21847E-02 ppm1 1.752 ppm2 4.435 CV 1 ASSI { 904} (( segid " A" and resid 196 and name HG1 )) (( segid " A" and resid 196 and name HA )) 6.000 4.500 0.000 peak 904 spectrum 1 weight 0.10000E+01 volume 0.14010E-02 ppm1 2.069 ppm2 4.426 CV 1 ASSI { 905} (( segid " A" and resid 196 and name HG2 )) (( segid " A" and resid 196 and name HA )) 6.000 4.500 0.000 peak 905 spectrum 1 weight 0.10000E+01 volume 0.11772E-02 ppm1 1.986 ppm2 4.426 CV 1 ASSI { 906} (( segid " A" and resid 246 and name HB )) (( segid " A" and resid 246 and name HA )) 6.000 4.500 0.000 peak 906 spectrum 1 weight 0.10000E+01 volume 0.66579E-02 ppm1 4.267 ppm2 4.424 CV 1 ASSI { 908} (( segid " A" and resid 181 and name HD2 )) (( segid " A" and resid 120 and name HA )) 6.000 4.500 0.000 peak 908 spectrum 1 weight 0.10000E+01 volume 0.19231E-02 ppm1 3.003 ppm2 4.414 CV 1 OR { 908} (( segid " A" and resid 181 and name HD1 )) (( segid " A" and resid 120 and name HA )) ASSI { 909} (( segid " A" and resid 250 and name HE2 )) (( segid " A" and resid 250 and name HA )) 6.000 4.500 0.000 peak 909 spectrum 1 weight 0.10000E+01 volume 0.36235E-02 ppm1 2.939 ppm2 4.416 CV 1 OR { 909} (( segid " A" and resid 157 and name HB1 )) (( segid " A" and resid 143 and name HA )) ASSI { 910} (( segid " A" and resid 120 and name HB2 )) (( segid " A" and resid 120 and name HA )) 6.000 4.500 0.000 peak 910 spectrum 1 weight 0.10000E+01 volume 0.77227E-03 ppm1 3.137 ppm2 4.422 CV 1 ASSI { 911} (( segid " A" and resid 250 and name HB2 )) (( segid " A" and resid 250 and name HA )) 6.000 4.500 0.000 peak 911 spectrum 1 weight 0.10000E+01 volume 0.15685E-02 ppm1 2.437 ppm2 4.423 CV 1 ASSI { 912} (( segid " A" and resid 250 and name HB1 )) (( segid " A" and resid 250 and name HA )) 6.000 4.500 0.000 peak 912 spectrum 1 weight 0.10000E+01 volume 0.79097E-03 ppm1 1.362 ppm2 4.424 CV 1 ASSI { 913} (( segid " A" and resid 248 and name HB1 )) (( segid " A" and resid 248 and name HA )) 6.000 4.500 0.000 peak 913 spectrum 1 weight 0.10000E+01 volume 0.25393E-02 ppm1 1.622 ppm2 4.414 CV 1 ASSI { 914} (( segid " A" and resid 284 and name HB1 )) (( segid " A" and resid 284 and name HA )) 6.000 4.500 0.000 peak 914 spectrum 1 weight 0.10000E+01 volume 0.45024E-02 ppm1 1.829 ppm2 4.415 CV 1 ASSI { 915} (( segid " A" and resid 250 and name HD2 )) (( segid " A" and resid 250 and name HA )) 6.000 4.500 0.000 peak 915 spectrum 1 weight 0.10000E+01 volume 0.18172E-02 ppm1 1.809 ppm2 4.412 CV 1 ASSI { 916} (( segid " A" and resid 284 and name HD2 )) (( segid " A" and resid 284 and name HA )) 6.000 4.500 0.000 peak 916 spectrum 1 weight 0.10000E+01 volume 0.40516E-02 ppm1 1.737 ppm2 4.414 CV 1 OR { 916} (( segid " A" and resid 284 and name HD1 )) (( segid " A" and resid 284 and name HA )) ASSI { 917} (( segid " A" and resid 248 and name HD2 )) (( segid " A" and resid 248 and name HA )) 6.000 4.500 0.000 peak 917 spectrum 1 weight 0.10000E+01 volume 0.56677E-02 ppm1 1.590 ppm2 4.417 CV 1 OR { 917} (( segid " A" and resid 248 and name HD1 )) (( segid " A" and resid 248 and name HA )) ASSI { 918} (( segid " A" and resid 242 and name HG2 )) (( segid " A" and resid 248 and name HA )) 6.000 4.500 0.000 peak 918 spectrum 1 weight 0.10000E+01 volume 0.57877E-03 ppm1 1.332 ppm2 4.411 CV 1 OR { 918} (( segid " A" and resid 242 and name HG2 )) (( segid " A" and resid 250 and name HA )) ASSI { 919} (( segid " A" and resid 250 and name HG2 )) (( segid " A" and resid 250 and name HA )) 6.000 4.500 0.000 peak 919 spectrum 1 weight 0.10000E+01 volume 0.20150E-02 ppm1 1.474 ppm2 4.411 CV 1 ASSI { 920} (( segid " A" and resid 284 and name HG1 )) (( segid " A" and resid 284 and name HA )) 6.000 4.500 0.000 peak 920 spectrum 1 weight 0.10000E+01 volume 0.23566E-02 ppm1 1.531 ppm2 4.411 CV 1 OR { 920} (( segid " A" and resid 284 and name HG2 )) (( segid " A" and resid 284 and name HA )) ASSI { 921} (( segid " A" and resid 248 and name HG2 )) (( segid " A" and resid 248 and name HA )) 6.000 4.500 0.000 peak 921 spectrum 1 weight 0.10000E+01 volume 0.78708E-02 ppm1 1.358 ppm2 4.411 CV 1 OR { 921} (( segid " A" and resid 248 and name HG1 )) (( segid " A" and resid 248 and name HA )) ASSI { 922} ( segid " A" and resid 245 and name HG2%) (( segid " A" and resid 246 and name HA )) 6.000 4.500 0.000 peak 922 spectrum 1 weight 0.10000E+01 volume 0.34300E-02 ppm1 1.235 ppm2 4.413 CV 1 ASSI { 923} ( segid " A" and resid 246 and name HG2%) (( segid " A" and resid 246 and name HA )) 6.000 4.500 0.000 peak 923 spectrum 1 weight 0.10000E+01 volume 0.19339E-01 ppm1 1.182 ppm2 4.424 CV 1 ASSI { 924} ( segid " A" and resid 241 and name HB% ) (( segid " A" and resid 250 and name HA )) 6.000 4.500 0.000 peak 924 spectrum 1 weight 0.10000E+01 volume 0.13675E-02 ppm1 0.778 ppm2 4.419 CV 1 ASSI { 925} ( segid " A" and resid 211 and name HG2%) (( segid " A" and resid 284 and name HA )) 6.000 4.500 0.000 peak 925 spectrum 1 weight 0.10000E+01 volume 0.42689E-02 ppm1 0.958 ppm2 4.402 CV 1 ASSI { 926} ( segid " A" and resid 211 and name HD1%) (( segid " A" and resid 284 and name HA )) 6.000 4.500 0.000 peak 926 spectrum 1 weight 0.10000E+01 volume 0.10311E-02 ppm1 0.739 ppm2 4.408 CV 1 ASSI { 927} (( segid " A" and resid 127 and name HB )) (( segid " A" and resid 123 and name HA )) 6.000 4.500 0.000 peak 927 spectrum 1 weight 0.10000E+01 volume 0.93107E-03 ppm1 4.166 ppm2 4.377 CV 1 ASSI { 928} (( segid " A" and resid 242 and name HA )) (( segid " A" and resid 250 and name HA )) 6.000 4.500 0.000 peak 928 spectrum 1 weight 0.10000E+01 volume 0.11621E-02 ppm1 4.706 ppm2 4.391 CV 1 OR { 928} (( segid " A" and resid 242 and name HA )) (( segid " A" and resid 248 and name HA )) ASSI { 929} (( segid " A" and resid 244 and name HD2 )) (( segid " A" and resid 244 and name HA )) 6.000 4.500 0.000 peak 929 spectrum 1 weight 0.10000E+01 volume 0.67206E-03 ppm1 4.072 ppm2 4.393 CV 1 ASSI { 930} (( segid " A" and resid 156 and name HA )) (( segid " A" and resid 143 and name HA )) 6.000 4.500 0.000 peak 930 spectrum 1 weight 0.10000E+01 volume 0.17923E-02 ppm1 4.767 ppm2 4.395 CV 1 ASSI { 931} (( segid " A" and resid 123 and name HB2 )) (( segid " A" and resid 123 and name HA )) 6.000 4.500 0.000 peak 931 spectrum 1 weight 0.10000E+01 volume 0.84989E-03 ppm1 1.926 ppm2 4.384 CV 1 ASSI { 932} (( segid " A" and resid 123 and name HB1 )) (( segid " A" and resid 123 and name HA )) 6.000 4.500 0.000 peak 932 spectrum 1 weight 0.10000E+01 volume 0.12756E-02 ppm1 1.370 ppm2 4.389 CV 1 ASSI { 933} (( segid " A" and resid 130 and name HG2 )) (( segid " A" and resid 126 and name HA )) 6.000 4.500 0.000 peak 933 spectrum 1 weight 0.10000E+01 volume 0.74092E-03 ppm1 2.538 ppm2 4.374 CV 1 OR { 933} (( segid " A" and resid 200 and name HG1 )) (( segid " A" and resid 199 and name HA )) ASSI { 934} (( segid " A" and resid 244 and name HB1 )) (( segid " A" and resid 244 and name HA )) 6.000 4.500 0.000 peak 934 spectrum 1 weight 0.10000E+01 volume 0.69703E-02 ppm1 2.342 ppm2 4.382 CV 1 ASSI { 935} (( segid " A" and resid 244 and name HB2 )) (( segid " A" and resid 244 and name HA )) 6.000 4.500 0.000 peak 935 spectrum 1 weight 0.10000E+01 volume 0.51488E-02 ppm1 2.026 ppm2 4.371 CV 1 ASSI { 936} (( segid " A" and resid 244 and name HG1 )) (( segid " A" and resid 244 and name HA )) 6.000 4.500 0.000 peak 936 spectrum 1 weight 0.10000E+01 volume 0.32506E-02 ppm1 2.071 ppm2 4.381 CV 1 OR { 936} (( segid " A" and resid 244 and name HG2 )) (( segid " A" and resid 244 and name HA )) ASSI { 937} (( segid " A" and resid 123 and name HG )) (( segid " A" and resid 123 and name HA )) 6.000 4.500 0.000 peak 937 spectrum 1 weight 0.10000E+01 volume 0.88243E-03 ppm1 1.821 ppm2 4.388 CV 1 ASSI { 938} ( segid " A" and resid 123 and name HD2%) (( segid " A" and resid 123 and name HA )) 6.000 4.500 0.000 peak 938 spectrum 1 weight 0.10000E+01 volume 0.31241E-02 ppm1 0.950 ppm2 4.385 CV 1 ASSI { 939} ( segid " A" and resid 123 and name HD1%) (( segid " A" and resid 123 and name HA )) 6.000 4.500 0.000 peak 939 spectrum 1 weight 0.10000E+01 volume 0.12518E-01 ppm1 0.929 ppm2 4.388 CV 1 ASSI { 940} ( segid " A" and resid 127 and name HG2%) (( segid " A" and resid 123 and name HA )) 6.000 4.500 0.000 peak 940 spectrum 1 weight 0.10000E+01 volume 0.22626E-02 ppm1 1.317 ppm2 4.382 CV 1 ASSI { 941} ( segid " A" and resid 119 and name HG2%) (( segid " A" and resid 123 and name HA )) 6.000 4.500 0.000 peak 941 spectrum 1 weight 0.10000E+01 volume 0.16550E-02 ppm1 0.690 ppm2 4.377 CV 1 ASSI { 942} ( segid " A" and resid 202 and name HB% ) (( segid " A" and resid 199 and name HA )) 6.000 4.500 0.000 peak 942 spectrum 1 weight 0.10000E+01 volume 0.71703E-02 ppm1 1.558 ppm2 4.388 CV 1 ASSI { 943} ( segid " A" and resid 141 and name HG2%) (( segid " A" and resid 143 and name HA )) 6.000 4.500 0.000 peak 943 spectrum 1 weight 0.10000E+01 volume 0.13642E-02 ppm1 0.592 ppm2 4.390 CV 1 ASSI { 944} ( segid " A" and resid 198 and name HG2%) (( segid " A" and resid 199 and name HA )) 6.000 4.500 0.000 peak 944 spectrum 1 weight 0.10000E+01 volume 0.15761E-02 ppm1 0.921 ppm2 4.388 CV 1 ASSI { 945} ( segid " A" and resid 143 and name HE% ) (( segid " A" and resid 143 and name HA )) 6.000 4.500 0.000 peak 945 spectrum 1 weight 0.10000E+01 volume 0.16939E-02 ppm1 1.273 ppm2 4.396 CV 1 ASSI { 946} ( segid " A" and resid 119 and name HD1%) (( segid " A" and resid 123 and name HA )) 6.000 4.500 0.000 peak 946 spectrum 1 weight 0.10000E+01 volume 0.72319E-03 ppm1 0.235 ppm2 4.396 CV 1 OR { 946} ( segid " A" and resid 119 and name HD1%) (( segid " A" and resid 143 and name HA )) ASSI { 947} ( segid " A" and resid 128 and name HD1%) (( segid " A" and resid 123 and name HA )) 6.000 4.500 0.000 peak 947 spectrum 1 weight 0.10000E+01 volume 0.90189E-03 ppm1 0.484 ppm2 4.380 CV 1 ASSI { 948} (( segid " A" and resid 183 and name HA )) (( segid " A" and resid 118 and name HB2 )) 6.000 4.500 0.000 peak 948 spectrum 1 weight 0.10000E+01 volume 0.15815E-02 ppm1 4.657 ppm2 4.346 CV 1 ASSI { 949} (( segid " A" and resid 224 and name HB1 )) (( segid " A" and resid 224 and name HA )) 6.000 4.500 0.000 peak 949 spectrum 1 weight 0.10000E+01 volume 0.52980E-02 ppm1 2.983 ppm2 4.352 CV 1 ASSI { 950} (( segid " A" and resid 226 and name HE1 )) (( segid " A" and resid 223 and name HA )) 6.000 4.500 0.000 peak 950 spectrum 1 weight 0.10000E+01 volume 0.20291E-02 ppm1 2.840 ppm2 4.351 CV 1 OR { 950} (( segid " A" and resid 226 and name HE2 )) (( segid " A" and resid 223 and name HA )) ASSI { 951} (( segid " A" and resid 223 and name HB2 )) (( segid " A" and resid 223 and name HA )) 6.000 4.500 0.000 peak 951 spectrum 1 weight 0.10000E+01 volume 0.40019E-02 ppm1 2.486 ppm2 4.351 CV 1 ASSI { 954} (( segid " A" and resid 181 and name HG1 )) (( segid " A" and resid 118 and name HB2 )) 6.000 4.500 0.000 peak 954 spectrum 1 weight 0.10000E+01 volume 0.36300E-02 ppm1 1.553 ppm2 4.355 CV 1 OR { 954} (( segid " A" and resid 181 and name HG2 )) (( segid " A" and resid 118 and name HB2 )) ASSI { 955} ( segid " A" and resid 240 and name HD1%) (( segid " A" and resid 223 and name HA )) 6.000 4.500 0.000 peak 955 spectrum 1 weight 0.10000E+01 volume 0.62493E-03 ppm1 -0.082 ppm2 4.366 CV 1 OR { 955} ( segid " A" and resid 240 and name HD1%) (( segid " A" and resid 224 and name HA )) ASSI { 956} ( segid " A" and resid 220 and name HD1%) (( segid " A" and resid 224 and name HA )) 6.000 4.500 0.000 peak 956 spectrum 1 weight 0.10000E+01 volume 0.10659E-02 ppm1 0.693 ppm2 4.355 CV 1 ASSI { 957} ( segid " A" and resid 205 and name HB% ) (( segid " A" and resid 288 and name HA )) 6.000 4.500 0.000 peak 957 spectrum 1 weight 0.10000E+01 volume 0.31403E-02 ppm1 1.146 ppm2 4.347 CV 1 ASSI { 958} ( segid " A" and resid 141 and name HD1%) (( segid " A" and resid 126 and name HA )) 6.000 4.500 0.000 peak 958 spectrum 1 weight 0.10000E+01 volume 0.16864E-02 ppm1 0.740 ppm2 4.346 CV 1 OR { 958} ( segid " A" and resid 138 and name HD1%) (( segid " A" and resid 126 and name HA )) ASSI { 959} (( segid " A" and resid 175 and name HB2 )) (( segid " A" and resid 175 and name HA )) 6.000 4.500 0.000 peak 959 spectrum 1 weight 0.10000E+01 volume 0.95377E-02 ppm1 4.059 ppm2 4.335 CV 1 ASSI { 960} (( segid " A" and resid 175 and name HB1 )) (( segid " A" and resid 175 and name HA )) 6.000 4.500 0.000 peak 960 spectrum 1 weight 0.10000E+01 volume 0.14561E-01 ppm1 4.008 ppm2 4.337 CV 1 ASSI { 962} (( segid " A" and resid 205 and name HA )) (( segid " A" and resid 288 and name HA )) 6.000 4.500 0.000 peak 962 spectrum 1 weight 0.10000E+01 volume 0.12713E-02 ppm1 3.856 ppm2 4.338 CV 1 ASSI { 963} (( segid " A" and resid 129 and name HD2 )) (( segid " A" and resid 126 and name HA )) 6.000 4.500 0.000 peak 963 spectrum 1 weight 0.10000E+01 volume 0.78903E-03 ppm1 3.331 ppm2 4.337 CV 1 ASSI { 964} (( segid " A" and resid 258 and name HG1 )) (( segid " A" and resid 236 and name HA )) 6.000 4.500 0.000 peak 964 spectrum 1 weight 0.10000E+01 volume 0.16820E-02 ppm1 2.215 ppm2 4.320 CV 1 OR { 964} (( segid " A" and resid 256 and name HG1 )) (( segid " A" and resid 236 and name HA )) ASSI { 965} (( segid " A" and resid 278 and name HG2 )) (( segid " A" and resid 278 and name HA )) 6.000 4.500 0.000 peak 965 spectrum 1 weight 0.10000E+01 volume 0.34236E-02 ppm1 2.327 ppm2 4.327 CV 1 ASSI { 966} (( segid " A" and resid 278 and name HG1 )) (( segid " A" and resid 278 and name HA )) 6.000 4.500 0.000 peak 966 spectrum 1 weight 0.10000E+01 volume 0.32030E-02 ppm1 2.234 ppm2 4.329 CV 1 ASSI { 967} (( segid " A" and resid 216 and name HB )) (( segid " A" and resid 251 and name HA2 )) 6.000 4.500 0.000 peak 967 spectrum 1 weight 0.10000E+01 volume 0.54613E-03 ppm1 1.288 ppm2 4.321 CV 1 ASSI { 968} (( segid " A" and resid 288 and name HB1 )) (( segid " A" and resid 288 and name HA )) 6.000 4.500 0.000 peak 968 spectrum 1 weight 0.10000E+01 volume 0.73887E-03 ppm1 2.064 ppm2 4.333 CV 1 ASSI { 969} (( segid " A" and resid 129 and name HB2 )) (( segid " A" and resid 126 and name HA )) 6.000 4.500 0.000 peak 969 spectrum 1 weight 0.10000E+01 volume 0.29047E-02 ppm1 1.963 ppm2 4.321 CV 1 OR { 969} (( segid " A" and resid 258 and name HB2 )) (( segid " A" and resid 236 and name HA )) ASSI { 970} (( segid " A" and resid 129 and name HG1 )) (( segid " A" and resid 126 and name HA )) 6.000 4.500 0.000 peak 970 spectrum 1 weight 0.10000E+01 volume 0.70255E-03 ppm1 1.522 ppm2 4.334 CV 1 OR { 970} (( segid " A" and resid 129 and name HG2 )) (( segid " A" and resid 126 and name HA )) ASSI { 972} ( segid " A" and resid 275 and name HD1%) (( segid " A" and resid 274 and name HA )) 6.000 4.500 0.000 peak 972 spectrum 1 weight 0.10000E+01 volume 0.11772E-02 ppm1 1.042 ppm2 4.335 CV 1 OR { 972} ( segid " A" and resid 275 and name HD1%) (( segid " A" and resid 224 and name HA )) ASSI { 973} ( segid " A" and resid 116 and name HG2%) (( segid " A" and resid 118 and name HB2 )) 6.000 4.500 0.000 peak 973 spectrum 1 weight 0.10000E+01 volume 0.14842E-02 ppm1 0.698 ppm2 4.317 CV 1 OR { 973} ( segid " A" and resid 272 and name HD2%) (( segid " A" and resid 273 and name HA )) ASSI { 974} ( segid " A" and resid 176 and name HG2%) (( segid " A" and resid 175 and name HA )) 6.000 4.500 0.000 peak 974 spectrum 1 weight 0.10000E+01 volume 0.11253E-02 ppm1 0.884 ppm2 4.332 CV 1 ASSI { 975} ( segid " A" and resid 225 and name HG2%) (( segid " A" and resid 224 and name HA )) 6.000 4.500 0.000 peak 975 spectrum 1 weight 0.10000E+01 volume 0.99637E-03 ppm1 0.611 ppm2 4.338 CV 1 OR { 975} ( segid " A" and resid 225 and name HG2%) (( segid " A" and resid 223 and name HA )) ASSI { 976} ( segid " A" and resid 138 and name HG2%) (( segid " A" and resid 139 and name HA )) 6.000 4.500 0.000 peak 976 spectrum 1 weight 0.10000E+01 volume 0.13772E-02 ppm1 0.532 ppm2 4.322 CV 1 ASSI { 977} ( segid " A" and resid 225 and name HD1%) (( segid " A" and resid 224 and name HA )) 6.000 4.500 0.000 peak 977 spectrum 1 weight 0.10000E+01 volume 0.80773E-03 ppm1 0.634 ppm2 4.340 CV 1 OR { 977} ( segid " A" and resid 225 and name HD1%) (( segid " A" and resid 223 and name HA )) ASSI { 979} (( segid " A" and resid 251 and name HA1 )) (( segid " A" and resid 251 and name HA2 )) 6.000 4.500 0.000 peak 979 spectrum 1 weight 0.10000E+01 volume 0.28420E-02 ppm1 4.116 ppm2 4.309 CV 1 ASSI { 980} (( segid " A" and resid 273 and name HB1 )) (( segid " A" and resid 273 and name HA )) 6.000 4.500 0.000 peak 980 spectrum 1 weight 0.10000E+01 volume 0.83811E-03 ppm1 3.298 ppm2 4.292 CV 1 ASSI { 981} (( segid " A" and resid 274 and name HB1 )) (( segid " A" and resid 274 and name HA )) 6.000 4.500 0.000 peak 981 spectrum 1 weight 0.10000E+01 volume 0.12205E-02 ppm1 2.204 ppm2 4.303 CV 1 ASSI { 982} (( segid " A" and resid 139 and name HB1 )) (( segid " A" and resid 139 and name HA )) 6.000 4.500 0.000 peak 982 spectrum 1 weight 0.10000E+01 volume 0.22842E-02 ppm1 1.418 ppm2 4.309 CV 1 ASSI { 983} (( segid " A" and resid 236 and name HB2 )) (( segid " A" and resid 236 and name HA )) 6.000 4.500 0.000 peak 983 spectrum 1 weight 0.10000E+01 volume 0.37911E-02 ppm1 1.501 ppm2 4.298 CV 1 ASSI { 984} (( segid " A" and resid 236 and name HB1 )) (( segid " A" and resid 236 and name HA )) 6.000 4.500 0.000 peak 984 spectrum 1 weight 0.10000E+01 volume 0.39857E-02 ppm1 1.691 ppm2 4.294 CV 1 ASSI { 985} (( segid " A" and resid 278 and name HB2 )) (( segid " A" and resid 274 and name HA )) 6.000 4.500 0.000 peak 985 spectrum 1 weight 0.10000E+01 volume 0.65477E-02 ppm1 2.118 ppm2 4.300 CV 1 ASSI { 986} ( segid " A" and resid 280 and name HD1%) (( segid " A" and resid 274 and name HA )) 6.000 4.500 0.000 peak 986 spectrum 1 weight 0.10000E+01 volume 0.10047E-02 ppm1 1.054 ppm2 4.294 CV 1 OR { 986} ( segid " A" and resid 280 and name HD1%) (( segid " A" and resid 273 and name HA )) ASSI { 987} ( segid " A" and resid 216 and name HG2%) (( segid " A" and resid 251 and name HA2 )) 6.000 4.500 0.000 peak 987 spectrum 1 weight 0.10000E+01 volume 0.12572E-02 ppm1 0.374 ppm2 4.312 CV 1 ASSI { 990} (( segid " A" and resid 258 and name HG2 )) (( segid " A" and resid 236 and name HA )) 6.000 4.500 0.000 peak 990 spectrum 1 weight 0.10000E+01 volume 0.92967E-03 ppm1 2.118 ppm2 4.279 CV 1 OR { 990} (( segid " A" and resid 258 and name HG2 )) (( segid " A" and resid 234 and name HA )) ASSI { 991} (( segid " A" and resid 234 and name HD1 )) (( segid " A" and resid 234 and name HA )) 6.000 4.500 0.000 peak 991 spectrum 1 weight 0.10000E+01 volume 0.41240E-02 ppm1 1.720 ppm2 4.273 CV 1 ASSI { 992} (( segid " A" and resid 234 and name HD2 )) (( segid " A" and resid 234 and name HA )) 6.000 4.500 0.000 peak 992 spectrum 1 weight 0.10000E+01 volume 0.37738E-02 ppm1 1.593 ppm2 4.277 CV 1 ASSI { 993} (( segid " A" and resid 236 and name HG1 )) (( segid " A" and resid 236 and name HA )) 6.000 4.500 0.000 peak 993 spectrum 1 weight 0.10000E+01 volume 0.85151E-02 ppm1 1.352 ppm2 4.286 CV 1 OR { 993} (( segid " A" and resid 236 and name HG2 )) (( segid " A" and resid 236 and name HA )) ASSI { 994} ( segid " A" and resid 246 and name HG2%) (( segid " A" and resid 246 and name HB )) 6.000 4.500 0.000 peak 994 spectrum 1 weight 0.10000E+01 volume 0.28009E-01 ppm1 1.182 ppm2 4.265 CV 1 ASSI { 995} ( segid " A" and resid 235 and name HG2%) (( segid " A" and resid 236 and name HA )) 6.000 4.500 0.000 peak 995 spectrum 1 weight 0.10000E+01 volume 0.13956E-02 ppm1 0.571 ppm2 4.280 CV 1 OR { 995} ( segid " A" and resid 235 and name HG2%) (( segid " A" and resid 234 and name HA )) ASSI { 996} ( segid " A" and resid 255 and name HG2%) (( segid " A" and resid 236 and name HA )) 6.000 4.500 0.000 peak 996 spectrum 1 weight 0.10000E+01 volume 0.62299E-03 ppm1 0.220 ppm2 4.277 CV 1 OR { 996} ( segid " A" and resid 255 and name HG2%) (( segid " A" and resid 234 and name HA )) ASSI { 997} ( segid " A" and resid 270 and name HE% ) (( segid " A" and resid 273 and name HA )) 6.000 4.500 0.000 peak 997 spectrum 1 weight 0.10000E+01 volume 0.12205E-02 ppm1 0.182 ppm2 4.284 CV 1 ASSI { 998} (( segid " A" and resid 265 and name HB1 )) (( segid " A" and resid 265 and name HA )) 6.000 4.500 0.000 peak 998 spectrum 1 weight 0.10000E+01 volume 0.17015E-02 ppm1 2.762 ppm2 4.239 CV 1 ASSI { 999} (( segid " A" and resid 232 and name HB1 )) (( segid " A" and resid 232 and name HA )) 6.000 4.500 0.000 peak 999 spectrum 1 weight 0.10000E+01 volume 0.11091E-02 ppm1 3.434 ppm2 4.240 CV 1 ASSI { 1000} (( segid " A" and resid 234 and name HB2 )) (( segid " A" and resid 234 and name HA )) 6.000 4.500 0.000 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.61153E-02 ppm1 1.777 ppm2 4.253 CV 1 OR { 1000} (( segid " A" and resid 234 and name HB1 )) (( segid " A" and resid 234 and name HA )) ASSI { 1001} (( segid " A" and resid 234 and name HG2 )) (( segid " A" and resid 234 and name HA )) 6.000 4.500 0.000 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.41576E-02 ppm1 1.479 ppm2 4.255 CV 1 ASSI { 1002} (( segid " A" and resid 288 and name HD1 )) (( segid " A" and resid 287 and name HB )) 6.000 4.500 0.000 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.14053E-02 ppm1 3.545 ppm2 4.219 CV 1 ASSI { 1003} (( segid " A" and resid 247 and name HA2 )) (( segid " A" and resid 247 and name HA1 )) 6.000 4.500 0.000 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.49521E-02 ppm1 3.760 ppm2 4.214 CV 1 ASSI { 1004} (( segid " A" and resid 226 and name HE2 )) (( segid " A" and resid 227 and name HA )) 6.000 4.500 0.000 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.10547E-02 ppm1 2.843 ppm2 4.223 CV 1 OR { 1004} (( segid " A" and resid 226 and name HE1 )) (( segid " A" and resid 227 and name HA )) ASSI { 1005} (( segid " A" and resid 230 and name HG2 )) (( segid " A" and resid 227 and name HA )) 6.000 4.500 0.000 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.21761E-02 ppm1 2.560 ppm2 4.232 CV 1 OR { 1005} (( segid " A" and resid 230 and name HG1 )) (( segid " A" and resid 227 and name HA )) OR { 1005} (( segid " A" and resid 230 and name HG2 )) (( segid " A" and resid 232 and name HA )) ASSI { 1006} (( segid " A" and resid 288 and name HG1 )) (( segid " A" and resid 287 and name HB )) 6.000 4.500 0.000 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.83130E-03 ppm1 2.306 ppm2 4.222 CV 1 ASSI { 1008} ( segid " A" and resid 266 and name HB% ) (( segid " A" and resid 265 and name HA )) 6.000 4.500 0.000 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.13869E-02 ppm1 1.246 ppm2 4.228 CV 1 OR { 1008} ( segid " A" and resid 266 and name HB% ) (( segid " A" and resid 232 and name HA )) ASSI { 1009} ( segid " A" and resid 166 and name HB% ) (( segid " A" and resid 161 and name HA )) 6.000 4.500 0.000 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.29036E-01 ppm1 1.440 ppm2 4.222 CV 1 OR { 1009} ( segid " A" and resid 107 and name HB% ) (( segid " A" and resid 287 and name HB )) OR { 1009} ( segid " A" and resid 166 and name HB% ) (( segid " A" and resid 287 and name HB )) ASSI { 1010} (( segid " A" and resid 221 and name HB1 )) (( segid " A" and resid 221 and name HB2 )) 6.000 4.500 0.000 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.14583E-01 ppm1 3.944 ppm2 4.192 CV 1 ASSI { 1012} (( segid " A" and resid 268 and name HB1 )) (( segid " A" and resid 268 and name HA )) 6.000 4.500 0.000 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.10454E-01 ppm1 3.945 ppm2 4.206 CV 1 ASSI { 1013} (( segid " A" and resid 268 and name HB2 )) (( segid " A" and resid 268 and name HA )) 6.000 4.500 0.000 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.12086E-01 ppm1 3.915 ppm2 4.199 CV 1 ASSI { 1014} (( segid " A" and resid 215 and name HA )) (( segid " A" and resid 215 and name HB2 )) 6.000 4.500 0.000 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.30149E-02 ppm1 3.847 ppm2 4.186 CV 1 ASSI { 1017} (( segid " A" and resid 288 and name HD2 )) (( segid " A" and resid 287 and name HB )) 6.000 4.500 0.000 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.76254E-03 ppm1 3.919 ppm2 4.199 CV 1 ASSI { 1018} (( segid " A" and resid 229 and name HB2 )) (( segid " A" and resid 229 and name HA )) 6.000 4.500 0.000 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.65639E-03 ppm1 2.800 ppm2 4.180 CV 1 ASSI { 1019} (( segid " A" and resid 161 and name HG1 )) (( segid " A" and resid 161 and name HA )) 6.000 4.500 0.000 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.27317E-02 ppm1 2.250 ppm2 4.200 CV 1 OR { 1019} (( segid " A" and resid 161 and name HG2 )) (( segid " A" and resid 161 and name HA )) ASSI { 1020} (( segid " A" and resid 161 and name HB2 )) (( segid " A" and resid 161 and name HA )) 6.000 4.500 0.000 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.26723E-02 ppm1 2.222 ppm2 4.195 CV 1 ASSI { 1021} (( segid " A" and resid 161 and name HB1 )) (( segid " A" and resid 161 and name HA )) 6.000 4.500 0.000 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.26139E-02 ppm1 1.966 ppm2 4.197 CV 1 ASSI { 1022} (( segid " A" and resid 206 and name HB1 )) (( segid " A" and resid 206 and name HA )) 6.000 4.500 0.000 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.74038E-02 ppm1 1.987 ppm2 4.184 CV 1 OR { 1022} (( segid " A" and resid 206 and name HB2 )) (( segid " A" and resid 206 and name HA )) ASSI { 1023} (( segid " A" and resid 206 and name HG2 )) (( segid " A" and resid 206 and name HA )) 6.000 4.500 0.000 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.45359E-02 ppm1 1.747 ppm2 4.184 CV 1 ASSI { 1024} ( segid " A" and resid 201 and name HD1%) (( segid " A" and resid 287 and name HB )) 6.000 4.500 0.000 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.95323E-03 ppm1 0.792 ppm2 4.184 CV 1 ASSI { 1025} ( segid " A" and resid 240 and name HD1%) (( segid " A" and resid 221 and name HB2 )) 6.000 4.500 0.000 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.11588E-02 ppm1 -0.085 ppm2 4.189 CV 1 ASSI { 1026} ( segid " A" and resid 201 and name HD2%) (( segid " A" and resid 287 and name HB )) 6.000 4.500 0.000 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.66968E-02 ppm1 0.814 ppm2 4.193 CV 1 ASSI { 1028} ( segid " A" and resid 287 and name HG2%) (( segid " A" and resid 287 and name HB )) 6.000 4.500 0.000 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.76481E-02 ppm1 1.079 ppm2 4.190 CV 1 ASSI { 1029} ( segid " A" and resid 267 and name HG1%) (( segid " A" and resid 268 and name HA )) 6.000 4.500 0.000 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.32463E-02 ppm1 0.958 ppm2 4.198 CV 1 ASSI { 1030} ( segid " A" and resid 173 and name HE% ) (( segid " A" and resid 131 and name HA )) 6.000 4.500 0.000 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.20755E-02 ppm1 1.385 ppm2 4.193 CV 1 ASSI { 1031} ( segid " A" and resid 235 and name HD1%) (( segid " A" and resid 229 and name HA )) 6.000 4.500 0.000 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.13772E-02 ppm1 0.676 ppm2 4.193 CV 1 ASSI { 1032} ( segid " A" and resid 255 and name HD1%) (( segid " A" and resid 229 and name HA )) 6.000 4.500 0.000 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.79887E-03 ppm1 -0.128 ppm2 4.183 CV 1 ASSI { 1033} (( segid " A" and resid 128 and name HA )) (( segid " A" and resid 127 and name HB )) 6.000 4.500 0.000 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.62688E-03 ppm1 3.716 ppm2 4.175 CV 1 OR { 1033} (( segid " A" and resid 128 and name HA )) (( segid " A" and resid 131 and name HA )) ASSI { 1034} (( segid " A" and resid 206 and name HD1 )) (( segid " A" and resid 206 and name HA )) 6.000 4.500 0.000 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.41965E-02 ppm1 3.265 ppm2 4.172 CV 1 OR { 1034} (( segid " A" and resid 206 and name HD2 )) (( segid " A" and resid 206 and name HA )) ASSI { 1035} (( segid " A" and resid 123 and name HB1 )) (( segid " A" and resid 127 and name HB )) 6.000 4.500 0.000 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.73498E-03 ppm1 1.377 ppm2 4.166 CV 1 ASSI { 1036} (( segid " A" and resid 229 and name HB1 )) (( segid " A" and resid 229 and name HA )) 6.000 4.500 0.000 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.49543E-03 ppm1 3.457 ppm2 4.177 CV 1 ASSI { 1037} (( segid " A" and resid 193 and name HG2 )) (( segid " A" and resid 193 and name HA )) 6.000 4.500 0.000 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.11567E-01 ppm1 2.414 ppm2 4.166 CV 1 OR { 1037} (( segid " A" and resid 193 and name HG1 )) (( segid " A" and resid 193 and name HA )) ASSI { 1038} (( segid " A" and resid 193 and name HB1 )) (( segid " A" and resid 193 and name HA )) 6.000 4.500 0.000 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.93378E-02 ppm1 2.147 ppm2 4.156 CV 1 ASSI { 1039} (( segid " A" and resid 193 and name HB2 )) (( segid " A" and resid 193 and name HA )) 6.000 4.500 0.000 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.60061E-02 ppm1 2.070 ppm2 4.174 CV 1 ASSI { 1040} (( segid " A" and resid 206 and name HG1 )) (( segid " A" and resid 206 and name HA )) 6.000 4.500 0.000 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.36852E-02 ppm1 1.996 ppm2 4.179 CV 1 ASSI { 1041} ( segid " A" and resid 123 and name HD2%) (( segid " A" and resid 127 and name HB )) 6.000 4.500 0.000 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.19264E-02 ppm1 0.950 ppm2 4.159 CV 1 ASSI { 1042} ( segid " A" and resid 280 and name HD2%) (( segid " A" and resid 215 and name HB2 )) 6.000 4.500 0.000 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.18561E-02 ppm1 0.866 ppm2 4.179 CV 1 ASSI { 1043} ( segid " A" and resid 123 and name HD1%) (( segid " A" and resid 127 and name HB )) 6.000 4.500 0.000 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.40300E-02 ppm1 0.927 ppm2 4.155 CV 1 OR { 1043} ( segid " A" and resid 114 and name HG2%) (( segid " A" and resid 112 and name HA )) ASSI { 1044} ( segid " A" and resid 127 and name HG2%) (( segid " A" and resid 127 and name HB )) 6.000 4.500 0.000 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.15318E-01 ppm1 1.317 ppm2 4.162 CV 1 ASSI { 1045} ( segid " A" and resid 228 and name HG2%) (( segid " A" and resid 229 and name HA )) 6.000 4.500 0.000 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.14075E-02 ppm1 0.474 ppm2 4.164 CV 1 ASSI { 1046} ( segid " A" and resid 225 and name HG2%) (( segid " A" and resid 229 and name HA )) 6.000 4.500 0.000 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.10130E-02 ppm1 0.613 ppm2 4.155 CV 1 ASSI { 1047} ( segid " A" and resid 270 and name HE% ) (( segid " A" and resid 229 and name HA )) 6.000 4.500 0.000 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.11988E-02 ppm1 0.183 ppm2 4.173 CV 1 ASSI { 1048} ( segid " A" and resid 128 and name HD1%) (( segid " A" and resid 127 and name HB )) 6.000 4.500 0.000 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.14410E-02 ppm1 0.485 ppm2 4.159 CV 1 ASSI { 1050} (( segid " A" and resid 122 and name HG1 )) (( segid " A" and resid 122 and name HA )) 6.000 4.500 0.000 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.24561E-02 ppm1 1.820 ppm2 4.131 CV 1 ASSI { 1051} (( segid " A" and resid 122 and name HG2 )) (( segid " A" and resid 122 and name HA )) 6.000 4.500 0.000 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.14421E-02 ppm1 1.731 ppm2 4.130 CV 1 ASSI { 1052} (( segid " A" and resid 128 and name HB )) (( segid " A" and resid 127 and name HB )) 6.000 4.500 0.000 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.54613E-03 ppm1 2.013 ppm2 4.151 CV 1 OR { 1052} (( segid " A" and resid 159 and name HG2 )) (( segid " A" and resid 112 and name HA )) OR { 1052} (( segid " A" and resid 159 and name HG1 )) (( segid " A" and resid 112 and name HA )) ASSI { 1053} (( segid " A" and resid 163 and name HB1 )) (( segid " A" and resid 163 and name HA )) 6.000 4.500 0.000 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.19231E-02 ppm1 1.700 ppm2 4.134 CV 1 ASSI { 1054} (( segid " A" and resid 122 and name HB1 )) (( segid " A" and resid 122 and name HA )) 6.000 4.500 0.000 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.13340E-02 ppm1 1.552 ppm2 4.135 CV 1 ASSI { 1055} (( segid " A" and resid 112 and name HB1 )) (( segid " A" and resid 112 and name HA )) 6.000 4.500 0.000 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.12929E-02 ppm1 3.561 ppm2 4.137 CV 1 ASSI { 1056} (( segid " A" and resid 112 and name HB2 )) (( segid " A" and resid 112 and name HA )) 6.000 4.500 0.000 peak 1056 spectrum 1 weight 0.10000E+01 volume 0.12259E-02 ppm1 3.041 ppm2 4.130 CV 1 ASSI { 1057} (( segid " A" and resid 242 and name HG2 )) (( segid " A" and resid 241 and name HA )) 6.000 4.500 0.000 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.66623E-03 ppm1 1.331 ppm2 4.135 CV 1 ASSI { 1058} ( segid " A" and resid 216 and name HG1%) (( segid " A" and resid 251 and name HA1 )) 6.000 4.500 0.000 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.12259E-02 ppm1 0.669 ppm2 4.139 CV 1 ASSI { 1059} ( segid " A" and resid 286 and name HG1%) (( segid " A" and resid 163 and name HA )) 6.000 4.500 0.000 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.61607E-03 ppm1 0.777 ppm2 4.133 CV 1 OR { 1059} ( segid " A" and resid 286 and name HG1%) (( segid " A" and resid 112 and name HA )) ASSI { 1060} ( segid " A" and resid 216 and name HG2%) (( segid " A" and resid 251 and name HA1 )) 6.000 4.500 0.000 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.15837E-02 ppm1 0.372 ppm2 4.132 CV 1 ASSI { 1061} ( segid " A" and resid 241 and name HB% ) (( segid " A" and resid 241 and name HA )) 6.000 4.500 0.000 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.16453E-01 ppm1 0.777 ppm2 4.132 CV 1 ASSI { 1062} ( segid " A" and resid 286 and name HG2%) (( segid " A" and resid 163 and name HA )) 6.000 4.500 0.000 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.16939E-02 ppm1 0.553 ppm2 4.143 CV 1 ASSI { 1063} ( segid " A" and resid 111 and name HE% ) (( segid " A" and resid 163 and name HA )) 6.000 4.500 0.000 peak 1063 spectrum 1 weight 0.10000E+01 volume 0.29522E-02 ppm1 1.964 ppm2 4.145 CV 1 OR { 1063} ( segid " A" and resid 111 and name HE% ) (( segid " A" and resid 112 and name HA )) ASSI { 1064} (( segid " A" and resid 151 and name HE1 )) (( segid " A" and resid 149 and name HB )) 6.000 4.500 0.000 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.28106E-02 ppm1 2.735 ppm2 4.108 CV 1 OR { 1064} (( segid " A" and resid 151 and name HE2 )) (( segid " A" and resid 149 and name HB )) ASSI { 1065} (( segid " A" and resid 200 and name HG1 )) (( segid " A" and resid 200 and name HA )) 6.000 4.500 0.000 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.39911E-02 ppm1 2.545 ppm2 4.114 CV 1 ASSI { 1066} (( segid " A" and resid 200 and name HG2 )) (( segid " A" and resid 200 and name HA )) 6.000 4.500 0.000 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.41024E-02 ppm1 2.348 ppm2 4.118 CV 1 ASSI { 1067} (( segid " A" and resid 216 and name HB )) (( segid " A" and resid 251 and name HA1 )) 6.000 4.500 0.000 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.50516E-03 ppm1 1.285 ppm2 4.118 CV 1 ASSI { 1068} (( segid " A" and resid 151 and name HD1 )) (( segid " A" and resid 149 and name HB )) 6.000 4.500 0.000 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.12778E-02 ppm1 1.378 ppm2 4.114 CV 1 OR { 1068} (( segid " A" and resid 151 and name HD1 )) (( segid " A" and resid 149 and name HA )) ASSI { 1069} (( segid " A" and resid 151 and name HD2 )) (( segid " A" and resid 149 and name HB )) 6.000 4.500 0.000 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.11967E-02 ppm1 1.301 ppm2 4.111 CV 1 ASSI { 1070} (( segid " A" and resid 200 and name HB1 )) (( segid " A" and resid 200 and name HA )) 6.000 4.500 0.000 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.42635E-02 ppm1 2.258 ppm2 4.118 CV 1 ASSI { 1071} (( segid " A" and resid 151 and name HG2 )) (( segid " A" and resid 149 and name HB )) 6.000 4.500 0.000 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.12994E-02 ppm1 1.202 ppm2 4.105 CV 1 OR { 1071} (( segid " A" and resid 151 and name HG1 )) (( segid " A" and resid 149 and name HB )) ASSI { 1072} ( segid " A" and resid 207 and name HB% ) (( segid " A" and resid 207 and name HA )) 6.000 4.500 0.000 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.25685E-01 ppm1 1.147 ppm2 4.105 CV 1 ASSI { 1073} ( segid " A" and resid 119 and name HG2%) (( segid " A" and resid 122 and name HA )) 6.000 4.500 0.000 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.14842E-02 ppm1 0.688 ppm2 4.117 CV 1 ASSI { 1074} ( segid " A" and resid 150 and name HE% ) (( segid " A" and resid 149 and name HA )) 6.000 4.500 0.000 peak 1074 spectrum 1 weight 0.10000E+01 volume 0.31879E-02 ppm1 2.012 ppm2 4.114 CV 1 OR { 1074} ( segid " A" and resid 150 and name HE% ) (( segid " A" and resid 149 and name HB )) ASSI { 1075} (( segid " A" and resid 240 and name HA )) (( segid " A" and resid 253 and name HA2 )) 6.000 4.500 0.000 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.15113E-02 ppm1 4.578 ppm2 4.070 CV 1 ASSI { 1076} (( segid " A" and resid 137 and name HD1 )) (( segid " A" and resid 136 and name HA2 )) 6.000 4.500 0.000 peak 1076 spectrum 1 weight 0.10000E+01 volume 0.93659E-03 ppm1 3.476 ppm2 4.096 CV 1 ASSI { 1077} (( segid " A" and resid 137 and name HD2 )) (( segid " A" and resid 136 and name HA2 )) 6.000 4.500 0.000 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.93107E-03 ppm1 3.199 ppm2 4.086 CV 1 ASSI { 1079} (( segid " A" and resid 250 and name HE2 )) (( segid " A" and resid 244 and name HD2 )) 6.000 4.500 0.000 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.49921E-02 ppm1 2.958 ppm2 4.080 CV 1 OR { 1079} (( segid " A" and resid 250 and name HE2 )) (( segid " A" and resid 136 and name HA2 )) ASSI { 1080} (( segid " A" and resid 258 and name HG2 )) (( segid " A" and resid 258 and name HA )) 6.000 4.500 0.000 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.43521E-02 ppm1 2.114 ppm2 4.080 CV 1 ASSI { 1081} (( segid " A" and resid 236 and name HB2 )) (( segid " A" and resid 258 and name HA )) 6.000 4.500 0.000 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.75465E-03 ppm1 1.487 ppm2 4.082 CV 1 OR { 1081} (( segid " A" and resid 236 and name HB2 )) (( segid " A" and resid 235 and name HA )) ASSI { 1082} (( segid " A" and resid 158 and name HB )) (( segid " A" and resid 158 and name HA )) 6.000 4.500 0.000 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.64461E-03 ppm1 1.416 ppm2 4.082 CV 1 ASSI { 1083} (( segid " A" and resid 258 and name HB2 )) (( segid " A" and resid 258 and name HA )) 6.000 4.500 0.000 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.56050E-02 ppm1 1.948 ppm2 4.070 CV 1 ASSI { 1084} (( segid " A" and resid 258 and name HB1 )) (( segid " A" and resid 258 and name HA )) 6.000 4.500 0.000 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.55812E-02 ppm1 2.197 ppm2 4.076 CV 1 ASSI { 1086} (( segid " A" and resid 141 and name HG11)) (( segid " A" and resid 158 and name HA )) 6.000 4.500 0.000 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.43359E-03 ppm1 0.826 ppm2 4.078 CV 1 ASSI { 1087} (( segid " A" and resid 234 and name HG2 )) (( segid " A" and resid 235 and name HA )) 6.000 4.500 0.000 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.11891E-02 ppm1 1.476 ppm2 4.071 CV 1 OR { 1087} (( segid " A" and resid 259 and name HG2 )) (( segid " A" and resid 258 and name HA )) OR { 1087} (( segid " A" and resid 183 and name HG12)) (( segid " A" and resid 176 and name HA )) OR { 1087} (( segid " A" and resid 183 and name HG11)) (( segid " A" and resid 176 and name HA )) ASSI { 1088} (( segid " A" and resid 236 and name HG1 )) (( segid " A" and resid 258 and name HA )) 6.000 4.500 0.000 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.36019E-02 ppm1 1.340 ppm2 4.076 CV 1 OR { 1088} (( segid " A" and resid 236 and name HG2 )) (( segid " A" and resid 258 and name HA )) ASSI { 1089} ( segid " A" and resid 240 and name HD1%) (( segid " A" and resid 253 and name HA2 )) 6.000 4.500 0.000 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.86016E-03 ppm1 -0.084 ppm2 4.092 CV 1 ASSI { 1090} ( segid " A" and resid 149 and name HG2%) (( segid " A" and resid 149 and name HA )) 6.000 4.500 0.000 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.30020E-01 ppm1 1.094 ppm2 4.097 CV 1 ASSI { 1091} ( segid " A" and resid 213 and name HG2%) (( segid " A" and resid 253 and name HA2 )) 6.000 4.500 0.000 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.13405E-02 ppm1 0.407 ppm2 4.080 CV 1 ASSI { 1092} ( segid " A" and resid 158 and name HG1%) (( segid " A" and resid 158 and name HA )) 6.000 4.500 0.000 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.41749E-02 ppm1 0.129 ppm2 4.085 CV 1 ASSI { 1093} ( segid " A" and resid 158 and name HG2%) (( segid " A" and resid 158 and name HA )) 6.000 4.500 0.000 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.36462E-02 ppm1 0.031 ppm2 4.085 CV 1 ASSI { 1094} ( segid " A" and resid 165 and name HB% ) (( segid " A" and resid 136 and name HA2 )) 6.000 4.500 0.000 peak 1094 spectrum 1 weight 0.10000E+01 volume 0.21317E-02 ppm1 0.647 ppm2 4.095 CV 1 ASSI { 1095} ( segid " A" and resid 109 and name HB% ) (( segid " A" and resid 109 and name HA )) 6.000 4.500 0.000 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.28766E-01 ppm1 1.438 ppm2 4.093 CV 1 ASSI { 1096} ( segid " A" and resid 138 and name HG2%) (( segid " A" and resid 158 and name HA )) 6.000 4.500 0.000 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.19318E-02 ppm1 0.536 ppm2 4.077 CV 1 OR { 1096} ( segid " A" and resid 128 and name HG2%) (( segid " A" and resid 158 and name HA )) ASSI { 1097} ( segid " A" and resid 141 and name HG2%) (( segid " A" and resid 158 and name HA )) 6.000 4.500 0.000 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.16118E-02 ppm1 0.594 ppm2 4.081 CV 1 ASSI { 1098} (( segid " A" and resid 257 and name HA )) (( segid " A" and resid 235 and name HA )) 6.000 4.500 0.000 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.29717E-02 ppm1 4.850 ppm2 4.050 CV 1 ASSI { 1099} (( segid " A" and resid 277 and name HA2 )) (( segid " A" and resid 277 and name HA1 )) 6.000 4.500 0.000 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.51251E-02 ppm1 3.560 ppm2 4.055 CV 1 ASSI { 1100} (( segid " A" and resid 206 and name HD1 )) (( segid " A" and resid 203 and name HA )) 6.000 4.500 0.000 peak 1100 spectrum 1 weight 0.10000E+01 volume 0.68925E-02 ppm1 3.265 ppm2 4.056 CV 1 OR { 1100} (( segid " A" and resid 206 and name HD2 )) (( segid " A" and resid 203 and name HA )) ASSI { 1101} (( segid " A" and resid 243 and name HB2 )) (( segid " A" and resid 244 and name HD2 )) 6.000 4.500 0.000 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.53078E-03 ppm1 2.387 ppm2 4.051 CV 1 ASSI { 1102} (( segid " A" and resid 226 and name HE1 )) (( segid " A" and resid 235 and name HA )) 6.000 4.500 0.000 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.94350E-03 ppm1 2.837 ppm2 4.053 CV 1 OR { 1102} (( segid " A" and resid 226 and name HE2 )) (( segid " A" and resid 235 and name HA )) ASSI { 1103} (( segid " A" and resid 235 and name HB )) (( segid " A" and resid 235 and name HA )) 6.000 4.500 0.000 peak 1103 spectrum 1 weight 0.10000E+01 volume 0.87270E-03 ppm1 1.606 ppm2 4.069 CV 1 ASSI { 1105} (( segid " A" and resid 258 and name HG1 )) (( segid " A" and resid 258 and name HA )) 6.000 4.500 0.000 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.55812E-02 ppm1 2.209 ppm2 4.066 CV 1 ASSI { 1106} (( segid " A" and resid 203 and name HG1 )) (( segid " A" and resid 203 and name HA )) 6.000 4.500 0.000 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.62969E-02 ppm1 2.310 ppm2 4.064 CV 1 ASSI { 1107} (( segid " A" and resid 203 and name HG2 )) (( segid " A" and resid 203 and name HA )) 6.000 4.500 0.000 peak 1107 spectrum 1 weight 0.10000E+01 volume 0.61866E-02 ppm1 2.295 ppm2 4.063 CV 1 ASSI { 1108} (( segid " A" and resid 130 and name HG1 )) (( segid " A" and resid 130 and name HA )) 6.000 4.500 0.000 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.79043E-02 ppm1 2.408 ppm2 4.044 CV 1 ASSI { 1109} (( segid " A" and resid 234 and name HB1 )) (( segid " A" and resid 235 and name HA )) 6.000 4.500 0.000 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.10853E-02 ppm1 1.774 ppm2 4.061 CV 1 OR { 1109} (( segid " A" and resid 177 and name HB2 )) (( segid " A" and resid 176 and name HA )) OR { 1109} (( segid " A" and resid 234 and name HB2 )) (( segid " A" and resid 235 and name HA )) OR { 1109} (( segid " A" and resid 256 and name HB2 )) (( segid " A" and resid 235 and name HA )) ASSI { 1111} (( segid " A" and resid 235 and name HG11)) (( segid " A" and resid 235 and name HA )) 6.000 4.500 0.000 peak 1111 spectrum 1 weight 0.10000E+01 volume 0.51759E-03 ppm1 0.033 ppm2 4.063 CV 1 ASSI { 1112} (( segid " A" and resid 206 and name HG1 )) (( segid " A" and resid 203 and name HA )) 6.000 4.500 0.000 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.34906E-02 ppm1 1.999 ppm2 4.054 CV 1 ASSI { 1114} ( segid " A" and resid 240 and name HD2%) (( segid " A" and resid 253 and name HA2 )) 6.000 4.500 0.000 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.44138E-02 ppm1 0.084 ppm2 4.059 CV 1 ASSI { 1116} ( segid " A" and resid 235 and name HG2%) (( segid " A" and resid 235 and name HA )) 6.000 4.500 0.000 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.28733E-02 ppm1 0.573 ppm2 4.050 CV 1 ASSI { 1117} ( segid " A" and resid 235 and name HD1%) (( segid " A" and resid 235 and name HA )) 6.000 4.500 0.000 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.20485E-02 ppm1 0.679 ppm2 4.052 CV 1 ASSI { 1118} (( segid " A" and resid 227 and name HA )) (( segid " A" and resid 227 and name HB2 )) 6.000 4.500 0.000 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.49521E-02 ppm1 4.206 ppm2 4.020 CV 1 ASSI { 1119} (( segid " A" and resid 282 and name HA )) (( segid " A" and resid 283 and name HA2 )) 6.000 4.500 0.000 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.48980E-03 ppm1 5.378 ppm2 4.031 CV 1 ASSI { 1121} (( segid " A" and resid 162 and name HA )) (( segid " A" and resid 163 and name HD1 )) 6.000 4.500 0.000 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.26690E-02 ppm1 4.858 ppm2 4.019 CV 1 ASSI { 1124} (( segid " A" and resid 230 and name HG1 )) (( segid " A" and resid 235 and name HA )) 6.000 4.500 0.000 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.85735E-03 ppm1 2.558 ppm2 4.030 CV 1 OR { 1124} (( segid " A" and resid 230 and name HG2 )) (( segid " A" and resid 235 and name HA )) ASSI { 1125} (( segid " A" and resid 171 and name HG2 )) (( segid " A" and resid 171 and name HA )) 6.000 4.500 0.000 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.43359E-02 ppm1 2.656 ppm2 4.028 CV 1 ASSI { 1126} (( segid " A" and resid 162 and name HB )) (( segid " A" and resid 163 and name HD1 )) 6.000 4.500 0.000 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.22647E-02 ppm1 2.198 ppm2 4.026 CV 1 ASSI { 1127} (( segid " A" and resid 130 and name HG2 )) (( segid " A" and resid 130 and name HA )) 6.000 4.500 0.000 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.48354E-02 ppm1 2.540 ppm2 4.017 CV 1 ASSI { 1128} (( segid " A" and resid 176 and name HB )) (( segid " A" and resid 176 and name HA )) 6.000 4.500 0.000 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.37965E-02 ppm1 2.066 ppm2 4.035 CV 1 ASSI { 1129} (( segid " A" and resid 134 and name HB1 )) (( segid " A" and resid 134 and name HA )) 6.000 4.500 0.000 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.76049E-03 ppm1 0.293 ppm2 4.023 CV 1 ASSI { 1130} (( segid " A" and resid 171 and name HB2 )) (( segid " A" and resid 171 and name HA )) 6.000 4.500 0.000 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.40354E-02 ppm1 2.043 ppm2 4.023 CV 1 ASSI { 1131} (( segid " A" and resid 130 and name HB1 )) (( segid " A" and resid 130 and name HA )) 6.000 4.500 0.000 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.16561E-01 ppm1 2.168 ppm2 4.033 CV 1 OR { 1131} (( segid " A" and resid 130 and name HB2 )) (( segid " A" and resid 130 and name HA )) ASSI { 1132} ( segid " A" and resid 275 and name HD2%) (( segid " A" and resid 227 and name HB1 )) 6.000 4.500 0.000 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.11286E-02 ppm1 0.968 ppm2 4.026 CV 1 OR { 1132} ( segid " A" and resid 275 and name HD2%) (( segid " A" and resid 227 and name HB2 )) OR { 1132} (( segid " A" and resid 281 and name HG2 )) (( segid " A" and resid 168 and name HA )) OR { 1132} (( segid " A" and resid 281 and name HG2 )) (( segid " A" and resid 134 and name HA )) ASSI { 1133} ( segid " A" and resid 168 and name HD2%) (( segid " A" and resid 168 and name HA )) 6.000 4.500 0.000 peak 1133 spectrum 1 weight 0.10000E+01 volume 0.40581E-02 ppm1 1.013 ppm2 4.019 CV 1 ASSI { 1134} (( segid " A" and resid 234 and name HG2 )) (( segid " A" and resid 235 and name HA )) 6.000 4.500 0.000 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.12140E-02 ppm1 1.453 ppm2 4.026 CV 1 OR { 1134} (( segid " A" and resid 184 and name HG1 )) (( segid " A" and resid 118 and name HB1 )) OR { 1134} (( segid " A" and resid 259 and name HG2 )) (( segid " A" and resid 262 and name HA )) ASSI { 1135} ( segid " A" and resid 168 and name HD1%) (( segid " A" and resid 168 and name HA )) 6.000 4.500 0.000 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.14831E-01 ppm1 0.895 ppm2 4.017 CV 1 ASSI { 1136} ( segid " A" and resid 162 and name HG1%) (( segid " A" and resid 163 and name HD1 )) 6.000 4.500 0.000 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.54472E-02 ppm1 1.059 ppm2 4.028 CV 1 ASSI { 1137} ( segid " A" and resid 176 and name HG1%) (( segid " A" and resid 176 and name HA )) 6.000 4.500 0.000 peak 1137 spectrum 1 weight 0.10000E+01 volume 0.11221E-01 ppm1 1.019 ppm2 4.037 CV 1 ASSI { 1138} ( segid " A" and resid 176 and name HG2%) (( segid " A" and resid 176 and name HA )) 6.000 4.500 0.000 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.11524E-01 ppm1 0.888 ppm2 4.040 CV 1 ASSI { 1139} ( segid " A" and resid 169 and name HB% ) (( segid " A" and resid 168 and name HA )) 6.000 4.500 0.000 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.79000E-03 ppm1 1.346 ppm2 4.022 CV 1 OR { 1139} ( segid " A" and resid 169 and name HB% ) (( segid " A" and resid 171 and name HA )) ASSI { 1140} ( segid " A" and resid 255 and name HG2%) (( segid " A" and resid 235 and name HA )) 6.000 4.500 0.000 peak 1140 spectrum 1 weight 0.10000E+01 volume 0.11621E-02 ppm1 0.218 ppm2 4.036 CV 1 ASSI { 1141} ( segid " A" and resid 133 and name HB% ) (( segid " A" and resid 130 and name HA )) 6.000 4.500 0.000 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.58483E-02 ppm1 1.607 ppm2 4.022 CV 1 ASSI { 1142} ( segid " A" and resid 173 and name HE% ) (( segid " A" and resid 168 and name HA )) 6.000 4.500 0.000 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.12205E-02 ppm1 1.386 ppm2 4.031 CV 1 OR { 1142} ( segid " A" and resid 173 and name HE% ) (( segid " A" and resid 176 and name HA )) OR { 1142} ( segid " A" and resid 173 and name HE% ) (( segid " A" and resid 171 and name HA )) OR { 1142} ( segid " A" and resid 173 and name HE% ) (( segid " A" and resid 130 and name HA )) OR { 1142} ( segid " A" and resid 173 and name HE% ) (( segid " A" and resid 134 and name HA )) OR { 1142} ( segid " A" and resid 173 and name HE% ) (( segid " A" and resid 175 and name HB2 )) ASSI { 1143} ( segid " A" and resid 270 and name HE% ) (( segid " A" and resid 227 and name HB1 )) 6.000 4.500 0.000 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.15231E-02 ppm1 0.185 ppm2 4.039 CV 1 OR { 1143} ( segid " A" and resid 270 and name HE% ) (( segid " A" and resid 227 and name HB2 )) ASSI { 1144} ( segid " A" and resid 255 and name HD1%) (( segid " A" and resid 253 and name HA1 )) 6.000 4.500 0.000 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.58083E-03 ppm1 -0.124 ppm2 4.031 CV 1 OR { 1144} ( segid " A" and resid 255 and name HD1%) (( segid " A" and resid 235 and name HA )) ASSI { 1145} ( segid " A" and resid 225 and name HD1%) (( segid " A" and resid 227 and name HB1 )) 6.000 4.500 0.000 peak 1145 spectrum 1 weight 0.10000E+01 volume 0.84502E-03 ppm1 0.632 ppm2 4.024 CV 1 OR { 1145} ( segid " A" and resid 225 and name HD1%) (( segid " A" and resid 227 and name HB2 )) ASSI { 1146} (( segid " A" and resid 127 and name HB )) (( segid " A" and resid 127 and name HA )) 6.000 4.500 0.000 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.42581E-02 ppm1 4.165 ppm2 3.994 CV 1 ASSI { 1147} (( segid " A" and resid 118 and name HB2 )) (( segid " A" and resid 118 and name HB1 )) 6.000 4.500 0.000 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.57153E-02 ppm1 4.344 ppm2 3.994 CV 1 ASSI { 1148} (( segid " A" and resid 262 and name HB1 )) (( segid " A" and resid 262 and name HA )) 6.000 4.500 0.000 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.67206E-03 ppm1 3.479 ppm2 4.002 CV 1 ASSI { 1149} (( segid " A" and resid 262 and name HB2 )) (( segid " A" and resid 262 and name HA )) 6.000 4.500 0.000 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.86848E-03 ppm1 2.859 ppm2 4.001 CV 1 ASSI { 1150} (( segid " A" and resid 183 and name HA )) (( segid " A" and resid 118 and name HB1 )) 6.000 4.500 0.000 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.23544E-02 ppm1 4.657 ppm2 4.002 CV 1 ASSI { 1152} (( segid " A" and resid 184 and name HA )) (( segid " A" and resid 118 and name HB1 )) 6.000 4.500 0.000 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.67304E-03 ppm1 4.944 ppm2 4.014 CV 1 OR { 1152} (( segid " A" and resid 270 and name HA )) (( segid " A" and resid 227 and name HB1 )) OR { 1152} (( segid " A" and resid 184 and name HA )) (( segid " A" and resid 171 and name HA )) OR { 1152} (( segid " A" and resid 270 and name HA )) (( segid " A" and resid 227 and name HB2 )) ASSI { 1153} (( segid " A" and resid 163 and name HD2 )) (( segid " A" and resid 163 and name HD1 )) 6.000 4.500 0.000 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.14442E-02 ppm1 3.593 ppm2 4.013 CV 1 ASSI { 1154} (( segid " A" and resid 168 and name HB2 )) (( segid " A" and resid 168 and name HA )) 6.000 4.500 0.000 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.79000E-03 ppm1 1.873 ppm2 4.010 CV 1 ASSI { 1155} (( segid " A" and resid 168 and name HB1 )) (( segid " A" and resid 168 and name HA )) 6.000 4.500 0.000 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.11642E-02 ppm1 1.525 ppm2 4.014 CV 1 ASSI { 1156} (( segid " A" and resid 191 and name HB )) (( segid " A" and resid 191 and name HA )) 6.000 4.500 0.000 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.34192E-02 ppm1 1.878 ppm2 4.006 CV 1 ASSI { 1157} (( segid " A" and resid 184 and name HB1 )) (( segid " A" and resid 118 and name HB1 )) 6.000 4.500 0.000 peak 1157 spectrum 1 weight 0.10000E+01 volume 0.51694E-03 ppm1 1.601 ppm2 4.009 CV 1 OR { 1157} (( segid " A" and resid 184 and name HB1 )) (( segid " A" and resid 118 and name HA )) ASSI { 1158} (( segid " A" and resid 191 and name HG12)) (( segid " A" and resid 191 and name HA )) 6.000 4.500 0.000 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.23404E-02 ppm1 1.438 ppm2 4.008 CV 1 ASSI { 1159} (( segid " A" and resid 191 and name HG11)) (( segid " A" and resid 191 and name HA )) 6.000 4.500 0.000 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.14345E-02 ppm1 1.246 ppm2 4.013 CV 1 ASSI { 1160} (( segid " A" and resid 108 and name HG )) (( segid " A" and resid 108 and name HA )) 6.000 4.500 0.000 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.33133E-02 ppm1 1.720 ppm2 4.011 CV 1 ASSI { 1161} (( segid " A" and resid 244 and name HG2 )) (( segid " A" and resid 244 and name HD1 )) 6.000 4.500 0.000 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.62104E-02 ppm1 2.070 ppm2 4.014 CV 1 OR { 1161} (( segid " A" and resid 244 and name HG1 )) (( segid " A" and resid 244 and name HD1 )) ASSI { 1162} ( segid " A" and resid 108 and name HD2%) (( segid " A" and resid 108 and name HA )) 6.000 4.500 0.000 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.15545E-01 ppm1 0.867 ppm2 3.997 CV 1 ASSI { 1163} ( segid " A" and resid 127 and name HG2%) (( segid " A" and resid 127 and name HA )) 6.000 4.500 0.000 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.11048E-01 ppm1 1.317 ppm2 3.990 CV 1 ASSI { 1164} ( segid " A" and resid 191 and name HG2%) (( segid " A" and resid 191 and name HA )) 6.000 4.500 0.000 peak 1164 spectrum 1 weight 0.10000E+01 volume 0.10156E-01 ppm1 0.892 ppm2 4.002 CV 1 ASSI { 1165} ( segid " A" and resid 110 and name HG2%) (( segid " A" and resid 108 and name HA )) 6.000 4.500 0.000 peak 1165 spectrum 1 weight 0.10000E+01 volume 0.81151E-02 ppm1 0.838 ppm2 4.007 CV 1 OR { 1165} ( segid " A" and resid 110 and name HG2%) (( segid " A" and resid 191 and name HA )) ASSI { 1166} ( segid " A" and resid 111 and name HE% ) (( segid " A" and resid 108 and name HA )) 6.000 4.500 0.000 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.41467E-02 ppm1 1.964 ppm2 3.989 CV 1 ASSI { 1167} ( segid " A" and resid 191 and name HD1%) (( segid " A" and resid 191 and name HA )) 6.000 4.500 0.000 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.10298E-01 ppm1 0.842 ppm2 4.011 CV 1 ASSI { 1168} (( segid " A" and resid 108 and name HB1 )) (( segid " A" and resid 108 and name HA )) 6.000 4.500 0.000 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.22928E-02 ppm1 1.801 ppm2 3.969 CV 1 ASSI { 1169} (( segid " A" and resid 108 and name HB2 )) (( segid " A" and resid 108 and name HA )) 6.000 4.500 0.000 peak 1169 spectrum 1 weight 0.10000E+01 volume 0.26885E-02 ppm1 1.470 ppm2 3.986 CV 1 ASSI { 1170} ( segid " A" and resid 201 and name HD1%) (( segid " A" and resid 201 and name HA )) 6.000 4.500 0.000 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.32863E-02 ppm1 0.790 ppm2 3.966 CV 1 ASSI { 1172} ( segid " A" and resid 128 and name HD1%) (( segid " A" and resid 127 and name HA )) 6.000 4.500 0.000 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.10047E-02 ppm1 0.486 ppm2 3.985 CV 1 OR { 1172} ( segid " A" and resid 128 and name HD1%) (( segid " A" and resid 118 and name HA )) OR { 1172} ( segid " A" and resid 128 and name HD1%) (( segid " A" and resid 118 and name HB1 )) ASSI { 1174} (( segid " A" and resid 267 and name HA )) (( segid " A" and resid 264 and name HA )) 6.000 4.500 0.000 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.59131E-03 ppm1 3.467 ppm2 3.954 CV 1 OR { 1174} (( segid " A" and resid 267 and name HA )) (( segid " A" and resid 268 and name HB1 )) OR { 1174} (( segid " A" and resid 267 and name HA )) (( segid " A" and resid 268 and name HB2 )) ASSI { 1175} (( segid " A" and resid 265 and name HA )) (( segid " A" and resid 268 and name HB1 )) 6.000 4.500 0.000 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.37911E-02 ppm1 4.243 ppm2 3.937 CV 1 ASSI { 1177} (( segid " A" and resid 194 and name HA )) (( segid " A" and resid 107 and name HA )) 6.000 4.500 0.000 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.92545E-03 ppm1 4.488 ppm2 3.933 CV 1 ASSI { 1178} (( segid " A" and resid 137 and name HD2 )) (( segid " A" and resid 136 and name HA1 )) 6.000 4.500 0.000 peak 1178 spectrum 1 weight 0.10000E+01 volume 0.71628E-03 ppm1 3.185 ppm2 3.934 CV 1 ASSI { 1179} (( segid " A" and resid 201 and name HB2 )) (( segid " A" and resid 201 and name HA )) 6.000 4.500 0.000 peak 1179 spectrum 1 weight 0.10000E+01 volume 0.72028E-03 ppm1 2.134 ppm2 3.947 CV 1 ASSI { 1180} (( segid " A" and resid 267 and name HB )) (( segid " A" and resid 264 and name HA )) 6.000 4.500 0.000 peak 1180 spectrum 1 weight 0.10000E+01 volume 0.25706E-02 ppm1 2.061 ppm2 3.941 CV 1 ASSI { 1183} ( segid " A" and resid 240 and name HD1%) (( segid " A" and resid 221 and name HB1 )) 6.000 4.500 0.000 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.10994E-02 ppm1 -0.083 ppm2 3.945 CV 1 OR { 1183} ( segid " A" and resid 240 and name HD1%) (( segid " A" and resid 239 and name HB )) ASSI { 1184} ( segid " A" and resid 201 and name HD2%) (( segid " A" and resid 201 and name HA )) 6.000 4.500 0.000 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.11178E-01 ppm1 0.804 ppm2 3.956 CV 1 ASSI { 1185} ( segid " A" and resid 267 and name HG2%) (( segid " A" and resid 264 and name HA )) 6.000 4.500 0.000 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.50072E-02 ppm1 0.990 ppm2 3.938 CV 1 OR { 1185} ( segid " A" and resid 267 and name HG2%) (( segid " A" and resid 268 and name HB1 )) ASSI { 1186} ( segid " A" and resid 286 and name HG2%) (( segid " A" and resid 202 and name HA )) 6.000 4.500 0.000 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.13696E-02 ppm1 0.550 ppm2 3.941 CV 1 ASSI { 1187} ( segid " A" and resid 107 and name HB% ) (( segid " A" and resid 107 and name HA )) 6.000 4.500 0.000 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.14161E-01 ppm1 1.474 ppm2 3.941 CV 1 ASSI { 1188} (( segid " A" and resid 287 and name HB )) (( segid " A" and resid 288 and name HD2 )) 6.000 4.500 0.000 peak 1188 spectrum 1 weight 0.10000E+01 volume 0.15545E-02 ppm1 4.193 ppm2 3.930 CV 1 ASSI { 1189} (( segid " A" and resid 286 and name HA )) (( segid " A" and resid 202 and name HA )) 6.000 4.500 0.000 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.14950E-02 ppm1 4.506 ppm2 3.916 CV 1 ASSI { 1191} (( segid " A" and resid 269 and name HA )) (( segid " A" and resid 268 and name HB2 )) 6.000 4.500 0.000 peak 1191 spectrum 1 weight 0.10000E+01 volume 0.11307E-02 ppm1 4.551 ppm2 3.923 CV 1 OR { 1191} (( segid " A" and resid 269 and name HA )) (( segid " A" and resid 268 and name HB1 )) ASSI { 1193} (( segid " A" and resid 287 and name HA )) (( segid " A" and resid 288 and name HD2 )) 6.000 4.500 0.000 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.15999E-02 ppm1 4.654 ppm2 3.929 CV 1 ASSI { 1194} (( segid " A" and resid 209 and name HA )) (( segid " A" and resid 260 and name HA )) 6.000 4.500 0.000 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.96296E-03 ppm1 4.876 ppm2 3.909 CV 1 ASSI { 1195} (( segid " A" and resid 288 and name HD1 )) (( segid " A" and resid 288 and name HD2 )) 6.000 4.500 0.000 peak 1195 spectrum 1 weight 0.10000E+01 volume 0.13069E-02 ppm1 3.514 ppm2 3.918 CV 1 ASSI { 1198} (( segid " A" and resid 209 and name HB2 )) (( segid " A" and resid 260 and name HA )) 6.000 4.500 0.000 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.72709E-03 ppm1 3.564 ppm2 3.916 CV 1 ASSI { 1199} (( segid " A" and resid 264 and name HG1 )) (( segid " A" and resid 264 and name HA )) 6.000 4.500 0.000 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.13848E-01 ppm1 2.362 ppm2 3.923 CV 1 OR { 1199} (( segid " A" and resid 264 and name HG2 )) (( segid " A" and resid 264 and name HA )) ASSI { 1200} (( segid " A" and resid 110 and name HG12)) (( segid " A" and resid 107 and name HA )) 6.000 4.500 0.000 peak 1200 spectrum 1 weight 0.10000E+01 volume 0.61899E-03 ppm1 1.024 ppm2 3.925 CV 1 ASSI { 1201} (( segid " A" and resid 264 and name HB2 )) (( segid " A" and resid 264 and name HA )) 6.000 4.500 0.000 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.81713E-02 ppm1 2.104 ppm2 3.932 CV 1 OR { 1201} (( segid " A" and resid 264 and name HB1 )) (( segid " A" and resid 264 and name HA )) ASSI { 1202} (( segid " A" and resid 288 and name HG2 )) (( segid " A" and resid 288 and name HD2 )) 6.000 4.500 0.000 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.88243E-03 ppm1 1.746 ppm2 3.925 CV 1 ASSI { 1203} ( segid " A" and resid 239 and name HG2%) (( segid " A" and resid 239 and name HB )) 6.000 4.500 0.000 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.22863E-01 ppm1 1.166 ppm2 3.923 CV 1 ASSI { 1204} ( segid " A" and resid 286 and name HG1%) (( segid " A" and resid 202 and name HA )) 6.000 4.500 0.000 peak 1204 spectrum 1 weight 0.10000E+01 volume 0.13307E-02 ppm1 0.780 ppm2 3.921 CV 1 ASSI { 1205} ( segid " A" and resid 165 and name HB% ) (( segid " A" and resid 136 and name HA1 )) 6.000 4.500 0.000 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.17674E-02 ppm1 0.650 ppm2 3.919 CV 1 ASSI { 1206} ( segid " A" and resid 194 and name HB% ) (( segid " A" and resid 107 and name HA )) 6.000 4.500 0.000 peak 1206 spectrum 1 weight 0.10000E+01 volume 0.61001E-02 ppm1 1.430 ppm2 3.929 CV 1 ASSI { 1207} ( segid " A" and resid 260 and name HB% ) (( segid " A" and resid 260 and name HA )) 6.000 4.500 0.000 peak 1207 spectrum 1 weight 0.10000E+01 volume 0.20593E-01 ppm1 1.414 ppm2 3.913 CV 1 ASSI { 1208} ( segid " A" and resid 202 and name HB% ) (( segid " A" and resid 202 and name HA )) 6.000 4.500 0.000 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.18301E-01 ppm1 1.559 ppm2 3.914 CV 1 ASSI { 1209} ( segid " A" and resid 143 and name HE% ) (( segid " A" and resid 124 and name HA1 )) 6.000 4.500 0.000 peak 1209 spectrum 1 weight 0.10000E+01 volume 0.10821E-02 ppm1 1.267 ppm2 3.907 CV 1 ASSI { 1210} (( segid " A" and resid 198 and name HA )) (( segid " A" and resid 197 and name HA )) 6.000 4.500 0.000 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.11383E-02 ppm1 3.547 ppm2 3.900 CV 1 ASSI { 1212} (( segid " A" and resid 272 and name HB2 )) (( segid " A" and resid 272 and name HA )) 6.000 4.500 0.000 peak 1212 spectrum 1 weight 0.10000E+01 volume 0.17177E-02 ppm1 2.023 ppm2 3.884 CV 1 ASSI { 1213} (( segid " A" and resid 272 and name HB1 )) (( segid " A" and resid 272 and name HA )) 6.000 4.500 0.000 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.10983E-02 ppm1 1.551 ppm2 3.879 CV 1 ASSI { 1214} (( segid " A" and resid 279 and name HB2 )) (( segid " A" and resid 272 and name HA )) 6.000 4.500 0.000 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.81259E-03 ppm1 2.741 ppm2 3.884 CV 1 ASSI { 1215} (( segid " A" and resid 278 and name HG1 )) (( segid " A" and resid 217 and name HA )) 6.000 4.500 0.000 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.11772E-02 ppm1 2.240 ppm2 3.888 CV 1 ASSI { 1216} (( segid " A" and resid 200 and name HG1 )) (( segid " A" and resid 197 and name HA )) 6.000 4.500 0.000 peak 1216 spectrum 1 weight 0.10000E+01 volume 0.19512E-02 ppm1 2.545 ppm2 3.897 CV 1 ASSI { 1217} (( segid " A" and resid 111 and name HG1 )) (( segid " A" and resid 111 and name HA )) 6.000 4.500 0.000 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.14010E-02 ppm1 2.600 ppm2 3.889 CV 1 OR { 1217} (( segid " A" and resid 111 and name HG2 )) (( segid " A" and resid 111 and name HA )) ASSI { 1218} (( segid " A" and resid 163 and name HB2 )) (( segid " A" and resid 111 and name HA )) 6.000 4.500 0.000 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.14486E-02 ppm1 2.123 ppm2 3.887 CV 1 OR { 1218} (( segid " A" and resid 278 and name HB2 )) (( segid " A" and resid 217 and name HA )) ASSI { 1219} (( segid " A" and resid 148 and name HB )) (( segid " A" and resid 148 and name HA )) 6.000 4.500 0.000 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.26290E-02 ppm1 2.242 ppm2 3.880 CV 1 ASSI { 1220} (( segid " A" and resid 217 and name HB2 )) (( segid " A" and resid 217 and name HA )) 6.000 4.500 0.000 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.13123E-02 ppm1 3.060 ppm2 3.887 CV 1 ASSI { 1221} (( segid " A" and resid 217 and name HB1 )) (( segid " A" and resid 217 and name HA )) 6.000 4.500 0.000 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.91713E-03 ppm1 2.791 ppm2 3.888 CV 1 ASSI { 1222} (( segid " A" and resid 197 and name HG12)) (( segid " A" and resid 197 and name HA )) 6.000 4.500 0.000 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.20399E-02 ppm1 1.463 ppm2 3.882 CV 1 ASSI { 1223} (( segid " A" and resid 198 and name HG11)) (( segid " A" and resid 197 and name HA )) 6.000 4.500 0.000 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.10061E-02 ppm1 1.229 ppm2 3.879 CV 1 ASSI { 1224} ( segid " A" and resid 280 and name HD1%) (( segid " A" and resid 215 and name HA )) 6.000 4.500 0.000 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.15902E-02 ppm1 1.013 ppm2 3.879 CV 1 OR { 1224} ( segid " A" and resid 280 and name HD1%) (( segid " A" and resid 217 and name HA )) OR { 1224} ( segid " A" and resid 168 and name HD2%) (( segid " A" and resid 135 and name HA )) ASSI { 1225} ( segid " A" and resid 272 and name HD1%) (( segid " A" and resid 272 and name HA )) 6.000 4.500 0.000 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.10769E-01 ppm1 0.801 ppm2 3.884 CV 1 ASSI { 1226} ( segid " A" and resid 214 and name HB% ) (( segid " A" and resid 135 and name HA )) 6.000 4.500 0.000 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.37295E-02 ppm1 1.272 ppm2 3.883 CV 1 ASSI { 1227} ( segid " A" and resid 272 and name HD2%) (( segid " A" and resid 272 and name HA )) 6.000 4.500 0.000 peak 1227 spectrum 1 weight 0.10000E+01 volume 0.12842E-01 ppm1 0.700 ppm2 3.879 CV 1 ASSI { 1228} ( segid " A" and resid 148 and name HG1%) (( segid " A" and resid 148 and name HA )) 6.000 4.500 0.000 peak 1228 spectrum 1 weight 0.10000E+01 volume 0.20409E-01 ppm1 0.954 ppm2 3.888 CV 1 ASSI { 1229} ( segid " A" and resid 149 and name HG2%) (( segid " A" and resid 148 and name HA )) 6.000 4.500 0.000 peak 1229 spectrum 1 weight 0.10000E+01 volume 0.20950E-02 ppm1 1.095 ppm2 3.895 CV 1 OR { 1229} ( segid " A" and resid 149 and name HG2%) (( segid " A" and resid 150 and name HA )) ASSI { 1230} ( segid " A" and resid 148 and name HG2%) (( segid " A" and resid 148 and name HA )) 6.000 4.500 0.000 peak 1230 spectrum 1 weight 0.10000E+01 volume 0.13350E-01 ppm1 0.871 ppm2 3.883 CV 1 ASSI { 1231} ( segid " A" and resid 205 and name HB% ) (( segid " A" and resid 205 and name HA )) 6.000 4.500 0.000 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.17004E-01 ppm1 1.144 ppm2 3.882 CV 1 ASSI { 1232} ( segid " A" and resid 197 and name HG2%) (( segid " A" and resid 197 and name HA )) 6.000 4.500 0.000 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.93042E-02 ppm1 0.877 ppm2 3.883 CV 1 ASSI { 1233} ( segid " A" and resid 150 and name HE% ) (( segid " A" and resid 150 and name HA )) 6.000 4.500 0.000 peak 1233 spectrum 1 weight 0.10000E+01 volume 0.45910E-02 ppm1 2.009 ppm2 3.899 CV 1 ASSI { 1234} ( segid " A" and resid 111 and name HE% ) (( segid " A" and resid 111 and name HA )) 6.000 4.500 0.000 peak 1234 spectrum 1 weight 0.10000E+01 volume 0.46581E-02 ppm1 1.964 ppm2 3.898 CV 1 ASSI { 1235} (( segid " A" and resid 196 and name HA )) (( segid " A" and resid 197 and name HA )) 6.000 4.500 0.000 peak 1235 spectrum 1 weight 0.10000E+01 volume 0.68190E-03 ppm1 4.431 ppm2 3.863 CV 1 ASSI { 1238} (( segid " A" and resid 216 and name HA )) (( segid " A" and resid 217 and name HA )) 6.000 4.500 0.000 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.73400E-03 ppm1 3.448 ppm2 3.866 CV 1 OR { 1238} (( segid " A" and resid 216 and name HA )) (( segid " A" and resid 215 and name HA )) ASSI { 1239} (( segid " A" and resid 288 and name HA )) (( segid " A" and resid 205 and name HA )) 6.000 4.500 0.000 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.11675E-02 ppm1 4.348 ppm2 3.873 CV 1 ASSI { 1241} (( segid " A" and resid 119 and name HB )) (( segid " A" and resid 119 and name HA )) 6.000 4.500 0.000 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.43219E-03 ppm1 1.119 ppm2 3.869 CV 1 ASSI { 1242} (( segid " A" and resid 279 and name HB1 )) (( segid " A" and resid 272 and name HA )) 6.000 4.500 0.000 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.12540E-02 ppm1 2.551 ppm2 3.875 CV 1 ASSI { 1244} (( segid " A" and resid 197 and name HG11)) (( segid " A" and resid 197 and name HA )) 6.000 4.500 0.000 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.19318E-02 ppm1 1.313 ppm2 3.874 CV 1 ASSI { 1246} ( segid " A" and resid 220 and name HD2%) (( segid " A" and resid 217 and name HA )) 6.000 4.500 0.000 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.12464E-02 ppm1 0.904 ppm2 3.864 CV 1 ASSI { 1247} ( segid " A" and resid 216 and name HG2%) (( segid " A" and resid 215 and name HA )) 6.000 4.500 0.000 peak 1247 spectrum 1 weight 0.10000E+01 volume 0.10853E-02 ppm1 0.347 ppm2 3.852 CV 1 OR { 1247} ( segid " A" and resid 216 and name HG2%) (( segid " A" and resid 225 and name HA )) OR { 1247} ( segid " A" and resid 213 and name HG1%) (( segid " A" and resid 225 and name HA )) ASSI { 1248} ( segid " A" and resid 231 and name HB% ) (( segid " A" and resid 231 and name HA )) 6.000 4.500 0.000 peak 1248 spectrum 1 weight 0.10000E+01 volume 0.10518E-01 ppm1 0.929 ppm2 3.866 CV 1 ASSI { 1249} ( segid " A" and resid 169 and name HB% ) (( segid " A" and resid 135 and name HA )) 6.000 4.500 0.000 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.10283E-02 ppm1 1.342 ppm2 3.865 CV 1 ASSI { 1250} ( segid " A" and resid 173 and name HE% ) (( segid " A" and resid 135 and name HA )) 6.000 4.500 0.000 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.51759E-03 ppm1 1.386 ppm2 3.874 CV 1 OR { 1250} ( segid " A" and resid 173 and name HE% ) (( segid " A" and resid 215 and name HA )) ASSI { 1251} ( segid " A" and resid 198 and name HG2%) (( segid " A" and resid 197 and name HA )) 6.000 4.500 0.000 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.41911E-02 ppm1 0.923 ppm2 3.873 CV 1 ASSI { 1252} ( segid " A" and resid 270 and name HE% ) (( segid " A" and resid 272 and name HA )) 6.000 4.500 0.000 peak 1252 spectrum 1 weight 0.10000E+01 volume 0.59747E-03 ppm1 0.184 ppm2 3.860 CV 1 OR { 1252} ( segid " A" and resid 270 and name HE% ) (( segid " A" and resid 231 and name HA )) ASSI { 1253} ( segid " A" and resid 119 and name HD1%) (( segid " A" and resid 119 and name HA )) 6.000 4.500 0.000 peak 1253 spectrum 1 weight 0.10000E+01 volume 0.13426E-02 ppm1 0.236 ppm2 3.855 CV 1 ASSI { 1254} ( segid " A" and resid 197 and name HD1%) (( segid " A" and resid 197 and name HA )) 6.000 4.500 0.000 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.84157E-02 ppm1 0.786 ppm2 3.877 CV 1 ASSI { 1255} (( segid " A" and resid 225 and name HG11)) (( segid " A" and resid 225 and name HA )) 6.000 4.500 0.000 peak 1255 spectrum 1 weight 0.10000E+01 volume 0.12140E-02 ppm1 1.045 ppm2 3.829 CV 1 ASSI { 1256} ( segid " A" and resid 228 and name HG2%) (( segid " A" and resid 225 and name HA )) 6.000 4.500 0.000 peak 1256 spectrum 1 weight 0.10000E+01 volume 0.10918E-02 ppm1 0.478 ppm2 3.834 CV 1 ASSI { 1258} ( segid " A" and resid 216 and name HG2%) (( segid " A" and resid 215 and name HA )) 6.000 4.500 0.000 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.12205E-02 ppm1 0.391 ppm2 3.828 CV 1 OR { 1258} ( segid " A" and resid 216 and name HG2%) (( segid " A" and resid 225 and name HA )) OR { 1258} ( segid " A" and resid 213 and name HG2%) (( segid " A" and resid 225 and name HA )) ASSI { 1259} ( segid " A" and resid 119 and name HG2%) (( segid " A" and resid 119 and name HA )) 6.000 4.500 0.000 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.49370E-02 ppm1 0.691 ppm2 3.844 CV 1 ASSI { 1260} ( segid " A" and resid 255 and name HD1%) (( segid " A" and resid 225 and name HA )) 6.000 4.500 0.000 peak 1260 spectrum 1 weight 0.10000E+01 volume 0.84989E-03 ppm1 -0.126 ppm2 3.824 CV 1 ASSI { 1261} (( segid " A" and resid 257 and name HB1 )) (( segid " A" and resid 263 and name HB1 )) 6.000 4.500 0.000 peak 1261 spectrum 1 weight 0.10000E+01 volume 0.58915E-03 ppm1 2.746 ppm2 3.802 CV 1 ASSI { 1262} (( segid " A" and resid 225 and name HB )) (( segid " A" and resid 225 and name HA )) 6.000 4.500 0.000 peak 1262 spectrum 1 weight 0.10000E+01 volume 0.12734E-02 ppm1 1.828 ppm2 3.821 CV 1 ASSI { 1263} (( segid " A" and resid 264 and name HB2 )) (( segid " A" and resid 263 and name HB1 )) 6.000 4.500 0.000 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.37403E-02 ppm1 2.067 ppm2 3.817 CV 1 OR { 1263} (( segid " A" and resid 264 and name HB1 )) (( segid " A" and resid 263 and name HB1 )) ASSI { 1265} ( segid " A" and resid 211 and name HG2%) (( segid " A" and resid 263 and name HB1 )) 6.000 4.500 0.000 peak 1265 spectrum 1 weight 0.10000E+01 volume 0.74146E-02 ppm1 0.954 ppm2 3.818 CV 1 ASSI { 1266} ( segid " A" and resid 225 and name HG2%) (( segid " A" and resid 225 and name HA )) 6.000 4.500 0.000 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.53607E-02 ppm1 0.615 ppm2 3.820 CV 1 ASSI { 1267} ( segid " A" and resid 225 and name HD1%) (( segid " A" and resid 225 and name HA )) 6.000 4.500 0.000 peak 1267 spectrum 1 weight 0.10000E+01 volume 0.71260E-02 ppm1 0.633 ppm2 3.823 CV 1 ASSI { 1268} (( segid " A" and resid 209 and name HA )) (( segid " A" and resid 263 and name HB2 )) 6.000 4.500 0.000 peak 1268 spectrum 1 weight 0.10000E+01 volume 0.93378E-03 ppm1 4.881 ppm2 3.787 CV 1 OR { 1268} (( segid " A" and resid 209 and name HA )) (( segid " A" and resid 263 and name HB1 )) ASSI { 1271} (( segid " A" and resid 138 and name HB )) (( segid " A" and resid 138 and name HA )) 6.000 4.500 0.000 peak 1271 spectrum 1 weight 0.10000E+01 volume 0.91161E-03 ppm1 1.647 ppm2 3.748 CV 1 ASSI { 1272} (( segid " A" and resid 209 and name HB2 )) (( segid " A" and resid 263 and name HB2 )) 6.000 4.500 0.000 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.88102E-03 ppm1 3.569 ppm2 3.765 CV 1 ASSI { 1274} ( segid " A" and resid 185 and name HG1%) (( segid " A" and resid 170 and name HA )) 6.000 4.500 0.000 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.96491E-02 ppm1 0.987 ppm2 3.743 CV 1 ASSI { 1275} (( segid " A" and resid 127 and name HB )) (( segid " A" and resid 128 and name HA )) 6.000 4.500 0.000 peak 1275 spectrum 1 weight 0.10000E+01 volume 0.60623E-03 ppm1 4.166 ppm2 3.720 CV 1 ASSI { 1276} (( segid " A" and resid 170 and name HB2 )) (( segid " A" and resid 170 and name HA )) 6.000 4.500 0.000 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.27468E-02 ppm1 1.775 ppm2 3.726 CV 1 ASSI { 1277} (( segid " A" and resid 170 and name HB1 )) (( segid " A" and resid 170 and name HA )) 6.000 4.500 0.000 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.29317E-02 ppm1 1.580 ppm2 3.733 CV 1 ASSI { 1278} (( segid " A" and resid 185 and name HB )) (( segid " A" and resid 170 and name HA )) 6.000 4.500 0.000 peak 1278 spectrum 1 weight 0.10000E+01 volume 0.13642E-02 ppm1 1.888 ppm2 3.736 CV 1 ASSI { 1279} (( segid " A" and resid 139 and name HB1 )) (( segid " A" and resid 138 and name HA )) 6.000 4.500 0.000 peak 1279 spectrum 1 weight 0.10000E+01 volume 0.52667E-03 ppm1 1.422 ppm2 3.736 CV 1 OR { 1279} (( segid " A" and resid 139 and name HB1 )) (( segid " A" and resid 140 and name HB1 )) ASSI { 1281} (( segid " A" and resid 138 and name HG11)) (( segid " A" and resid 138 and name HA )) 6.000 4.500 0.000 peak 1281 spectrum 1 weight 0.10000E+01 volume 0.60104E-03 ppm1 0.314 ppm2 3.738 CV 1 ASSI { 1282} (( segid " A" and resid 170 and name HG )) (( segid " A" and resid 170 and name HA )) 6.000 4.500 0.000 peak 1282 spectrum 1 weight 0.10000E+01 volume 0.22593E-02 ppm1 1.705 ppm2 3.730 CV 1 ASSI { 1283} ( segid " A" and resid 170 and name HD1%) (( segid " A" and resid 170 and name HA )) 6.000 4.500 0.000 peak 1283 spectrum 1 weight 0.10000E+01 volume 0.14875E-01 ppm1 0.802 ppm2 3.733 CV 1 ASSI { 1284} ( segid " A" and resid 127 and name HG2%) (( segid " A" and resid 128 and name HA )) 6.000 4.500 0.000 peak 1284 spectrum 1 weight 0.10000E+01 volume 0.21923E-02 ppm1 1.317 ppm2 3.718 CV 1 ASSI { 1285} ( segid " A" and resid 114 and name HG2%) (( segid " A" and resid 170 and name HA )) 6.000 4.500 0.000 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.57380E-02 ppm1 0.924 ppm2 3.731 CV 1 ASSI { 1286} ( segid " A" and resid 116 and name HG1%) (( segid " A" and resid 128 and name HA )) 6.000 4.500 0.000 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.55369E-03 ppm1 0.289 ppm2 3.718 CV 1 OR { 1286} ( segid " A" and resid 116 and name HG1%) (( segid " A" and resid 170 and name HA )) OR { 1286} ( segid " A" and resid 116 and name HG1%) (( segid " A" and resid 125 and name HA )) ASSI { 1287} ( segid " A" and resid 158 and name HG1%) (( segid " A" and resid 138 and name HA )) 6.000 4.500 0.000 peak 1287 spectrum 1 weight 0.10000E+01 volume 0.16583E-02 ppm1 0.130 ppm2 3.724 CV 1 ASSI { 1288} ( segid " A" and resid 128 and name HG2%) (( segid " A" and resid 128 and name HA )) 6.000 4.500 0.000 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.11015E-01 ppm1 0.534 ppm2 3.722 CV 1 ASSI { 1289} ( segid " A" and resid 173 and name HE% ) (( segid " A" and resid 134 and name HD1 )) 6.000 4.500 0.000 peak 1289 spectrum 1 weight 0.10000E+01 volume 0.96858E-03 ppm1 1.386 ppm2 3.729 CV 1 OR { 1289} ( segid " A" and resid 173 and name HE% ) (( segid " A" and resid 128 and name HA )) OR { 1289} ( segid " A" and resid 173 and name HE% ) (( segid " A" and resid 170 and name HA )) ASSI { 1290} ( segid " A" and resid 128 and name HD1%) (( segid " A" and resid 128 and name HA )) 6.000 4.500 0.000 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.70255E-02 ppm1 0.484 ppm2 3.715 CV 1 ASSI { 1291} (( segid " A" and resid 134 and name HA )) (( segid " A" and resid 134 and name HD1 )) 6.000 4.500 0.000 peak 1291 spectrum 1 weight 0.10000E+01 volume 0.11297E-02 ppm1 4.012 ppm2 3.707 CV 1 ASSI { 1292} (( segid " A" and resid 269 and name HB2 )) (( segid " A" and resid 269 and name HB1 )) 6.000 4.500 0.000 peak 1292 spectrum 1 weight 0.10000E+01 volume 0.34236E-02 ppm1 3.520 ppm2 3.699 CV 1 ASSI { 1293} (( segid " A" and resid 239 and name HA )) (( segid " A" and resid 222 and name HA )) 6.000 4.500 0.000 peak 1293 spectrum 1 weight 0.10000E+01 volume 0.63380E-03 ppm1 4.863 ppm2 3.697 CV 1 ASSI { 1295} (( segid " A" and resid 266 and name HA )) (( segid " A" and resid 269 and name HB1 )) 6.000 4.500 0.000 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.54613E-03 ppm1 2.401 ppm2 3.693 CV 1 ASSI { 1296} (( segid " A" and resid 134 and name HD2 )) (( segid " A" and resid 134 and name HD1 )) 6.000 4.500 0.000 peak 1296 spectrum 1 weight 0.10000E+01 volume 0.10505E-02 ppm1 3.080 ppm2 3.700 CV 1 ASSI { 1297} (( segid " A" and resid 222 and name HB1 )) (( segid " A" and resid 222 and name HA )) 6.000 4.500 0.000 peak 1297 spectrum 1 weight 0.10000E+01 volume 0.19815E-02 ppm1 2.643 ppm2 3.705 CV 1 ASSI { 1298} (( segid " A" and resid 222 and name HB2 )) (( segid " A" and resid 222 and name HA )) 6.000 4.500 0.000 peak 1298 spectrum 1 weight 0.10000E+01 volume 0.17102E-02 ppm1 2.580 ppm2 3.697 CV 1 ASSI { 1299} (( segid " A" and resid 125 and name HG1 )) (( segid " A" and resid 125 and name HA )) 6.000 4.500 0.000 peak 1299 spectrum 1 weight 0.10000E+01 volume 0.48245E-02 ppm1 2.220 ppm2 3.708 CV 1 OR { 1299} (( segid " A" and resid 125 and name HG2 )) (( segid " A" and resid 125 and name HA )) ASSI { 1300} (( segid " A" and resid 128 and name HB )) (( segid " A" and resid 128 and name HA )) 6.000 4.500 0.000 peak 1300 spectrum 1 weight 0.10000E+01 volume 0.23815E-02 ppm1 2.004 ppm2 3.712 CV 1 ASSI { 1301} (( segid " A" and resid 225 and name HB )) (( segid " A" and resid 222 and name HA )) 6.000 4.500 0.000 peak 1301 spectrum 1 weight 0.10000E+01 volume 0.10380E-02 ppm1 1.826 ppm2 3.698 CV 1 ASSI { 1302} (( segid " A" and resid 167 and name HG2 )) (( segid " A" and resid 167 and name HA )) 6.000 4.500 0.000 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.14896E-02 ppm1 2.335 ppm2 3.695 CV 1 ASSI { 1303} (( segid " A" and resid 125 and name HB1 )) (( segid " A" and resid 125 and name HA )) 6.000 4.500 0.000 peak 1303 spectrum 1 weight 0.10000E+01 volume 0.86016E-03 ppm1 2.208 ppm2 3.698 CV 1 ASSI { 1304} (( segid " A" and resid 125 and name HB2 )) (( segid " A" and resid 125 and name HA )) 6.000 4.500 0.000 peak 1304 spectrum 1 weight 0.10000E+01 volume 0.25079E-02 ppm1 2.152 ppm2 3.711 CV 1 ASSI { 1305} (( segid " A" and resid 129 and name HB2 )) (( segid " A" and resid 125 and name HA )) 6.000 4.500 0.000 peak 1305 spectrum 1 weight 0.10000E+01 volume 0.36300E-02 ppm1 1.950 ppm2 3.701 CV 1 OR { 1305} (( segid " A" and resid 129 and name HB2 )) (( segid " A" and resid 128 and name HA )) ASSI { 1308} (( segid " A" and resid 240 and name HG )) (( segid " A" and resid 222 and name HA )) 6.000 4.500 0.000 peak 1308 spectrum 1 weight 0.10000E+01 volume 0.13545E-02 ppm1 1.133 ppm2 3.702 CV 1 ASSI { 1309} ( segid " A" and resid 240 and name HD1%) (( segid " A" and resid 222 and name HA )) 6.000 4.500 0.000 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.37738E-02 ppm1 -0.085 ppm2 3.700 CV 1 ASSI { 1310} ( segid " A" and resid 286 and name HG1%) (( segid " A" and resid 167 and name HA )) 6.000 4.500 0.000 peak 1310 spectrum 1 weight 0.10000E+01 volume 0.94069E-03 ppm1 0.785 ppm2 3.690 CV 1 ASSI { 1311} ( segid " A" and resid 240 and name HD2%) (( segid " A" and resid 222 and name HA )) 6.000 4.500 0.000 peak 1311 spectrum 1 weight 0.10000E+01 volume 0.23231E-02 ppm1 0.083 ppm2 3.698 CV 1 ASSI { 1312} ( segid " A" and resid 213 and name HG1%) (( segid " A" and resid 222 and name HA )) 6.000 4.500 0.000 peak 1312 spectrum 1 weight 0.10000E+01 volume 0.85194E-03 ppm1 0.343 ppm2 3.691 CV 1 OR { 1312} ( segid " A" and resid 213 and name HG1%) (( segid " A" and resid 226 and name HA )) ASSI { 1313} ( segid " A" and resid 158 and name HG2%) (( segid " A" and resid 125 and name HA )) 6.000 4.500 0.000 peak 1313 spectrum 1 weight 0.10000E+01 volume 0.11480E-02 ppm1 0.030 ppm2 3.695 CV 1 OR { 1313} ( segid " A" and resid 158 and name HG2%) (( segid " A" and resid 128 and name HA )) ASSI { 1314} ( segid " A" and resid 225 and name HG2%) (( segid " A" and resid 226 and name HA )) 6.000 4.500 0.000 peak 1314 spectrum 1 weight 0.10000E+01 volume 0.30376E-02 ppm1 0.614 ppm2 3.688 CV 1 OR { 1314} ( segid " A" and resid 225 and name HG2%) (( segid " A" and resid 222 and name HA )) ASSI { 1315} ( segid " A" and resid 133 and name HB% ) (( segid " A" and resid 134 and name HD1 )) 6.000 4.500 0.000 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.43630E-02 ppm1 1.607 ppm2 3.702 CV 1 ASSI { 1316} ( segid " A" and resid 141 and name HG2%) (( segid " A" and resid 125 and name HA )) 6.000 4.500 0.000 peak 1316 spectrum 1 weight 0.10000E+01 volume 0.28495E-02 ppm1 0.592 ppm2 3.704 CV 1 ASSI { 1317} ( segid " A" and resid 143 and name HE% ) (( segid " A" and resid 125 and name HA )) 6.000 4.500 0.000 peak 1317 spectrum 1 weight 0.10000E+01 volume 0.19458E-02 ppm1 1.268 ppm2 3.709 CV 1 ASSI { 1318} ( segid " A" and resid 119 and name HD1%) (( segid " A" and resid 125 and name HA )) 6.000 4.500 0.000 peak 1318 spectrum 1 weight 0.10000E+01 volume 0.71822E-03 ppm1 0.238 ppm2 3.707 CV 1 OR { 1318} ( segid " A" and resid 119 and name HD1%) (( segid " A" and resid 128 and name HA )) ASSI { 1319} (( segid " A" and resid 223 and name HA )) (( segid " A" and resid 222 and name HA )) 6.000 4.500 0.000 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.16464E-02 ppm1 4.350 ppm2 3.673 CV 1 OR { 1319} (( segid " A" and resid 223 and name HA )) (( segid " A" and resid 226 and name HA )) OR { 1319} (( segid " A" and resid 126 and name HA )) (( segid " A" and resid 129 and name HA )) ASSI { 1320} (( segid " A" and resid 194 and name HA )) (( segid " A" and resid 196 and name HD2 )) 6.000 4.500 0.000 peak 1320 spectrum 1 weight 0.10000E+01 volume 0.53564E-03 ppm1 4.496 ppm2 3.686 CV 1 ASSI { 1321} (( segid " A" and resid 113 and name HD2 )) (( segid " A" and resid 110 and name HA )) 6.000 4.500 0.000 peak 1321 spectrum 1 weight 0.10000E+01 volume 0.13221E-02 ppm1 3.069 ppm2 3.663 CV 1 ASSI { 1322} (( segid " A" and resid 113 and name HD1 )) (( segid " A" and resid 110 and name HA )) 6.000 4.500 0.000 peak 1322 spectrum 1 weight 0.10000E+01 volume 0.95745E-03 ppm1 2.910 ppm2 3.670 CV 1 ASSI { 1323} (( segid " A" and resid 226 and name HE1 )) (( segid " A" and resid 226 and name HA )) 6.000 4.500 0.000 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.19069E-02 ppm1 2.840 ppm2 3.672 CV 1 OR { 1323} (( segid " A" and resid 226 and name HE2 )) (( segid " A" and resid 226 and name HA )) ASSI { 1324} (( segid " A" and resid 235 and name HB )) (( segid " A" and resid 226 and name HA )) 6.000 4.500 0.000 peak 1324 spectrum 1 weight 0.10000E+01 volume 0.52591E-03 ppm1 1.603 ppm2 3.684 CV 1 OR { 1324} (( segid " A" and resid 141 and name HB )) (( segid " A" and resid 125 and name HA )) OR { 1324} (( segid " A" and resid 141 and name HB )) (( segid " A" and resid 140 and name HB2 )) ASSI { 1325} (( segid " A" and resid 110 and name HB )) (( segid " A" and resid 110 and name HA )) 6.000 4.500 0.000 peak 1325 spectrum 1 weight 0.10000E+01 volume 0.21480E-02 ppm1 1.872 ppm2 3.668 CV 1 ASSI { 1326} (( segid " A" and resid 113 and name HB1 )) (( segid " A" and resid 110 and name HA )) 6.000 4.500 0.000 peak 1326 spectrum 1 weight 0.10000E+01 volume 0.68882E-03 ppm1 1.797 ppm2 3.668 CV 1 ASSI { 1327} (( segid " A" and resid 113 and name HB2 )) (( segid " A" and resid 110 and name HA )) 6.000 4.500 0.000 peak 1327 spectrum 1 weight 0.10000E+01 volume 0.10951E-02 ppm1 1.736 ppm2 3.681 CV 1 ASSI { 1328} (( segid " A" and resid 167 and name HG1 )) (( segid " A" and resid 167 and name HA )) 6.000 4.500 0.000 peak 1328 spectrum 1 weight 0.10000E+01 volume 0.19318E-02 ppm1 2.149 ppm2 3.669 CV 1 ASSI { 1330} (( segid " A" and resid 196 and name HB2 )) (( segid " A" and resid 196 and name HD2 )) 6.000 4.500 0.000 peak 1330 spectrum 1 weight 0.10000E+01 volume 0.79887E-03 ppm1 2.384 ppm2 3.678 CV 1 ASSI { 1331} (( segid " A" and resid 196 and name HB1 )) (( segid " A" and resid 196 and name HD2 )) 6.000 4.500 0.000 peak 1331 spectrum 1 weight 0.10000E+01 volume 0.12399E-02 ppm1 1.758 ppm2 3.686 CV 1 ASSI { 1332} (( segid " A" and resid 110 and name HG11)) (( segid " A" and resid 110 and name HA )) 6.000 4.500 0.000 peak 1332 spectrum 1 weight 0.10000E+01 volume 0.29241E-02 ppm1 1.706 ppm2 3.670 CV 1 ASSI { 1333} (( segid " A" and resid 226 and name HD2 )) (( segid " A" and resid 226 and name HA )) 6.000 4.500 0.000 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.21209E-02 ppm1 1.641 ppm2 3.672 CV 1 OR { 1333} (( segid " A" and resid 226 and name HD1 )) (( segid " A" and resid 226 and name HA )) ASSI { 1334} (( segid " A" and resid 110 and name HG12)) (( segid " A" and resid 110 and name HA )) 6.000 4.500 0.000 peak 1334 spectrum 1 weight 0.10000E+01 volume 0.22377E-02 ppm1 1.034 ppm2 3.671 CV 1 ASSI { 1335} (( segid " A" and resid 130 and name HB2 )) (( segid " A" and resid 129 and name HA )) 6.000 4.500 0.000 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.17847E-02 ppm1 2.185 ppm2 3.675 CV 1 OR { 1335} (( segid " A" and resid 130 and name HB1 )) (( segid " A" and resid 129 and name HA )) ASSI { 1336} (( segid " A" and resid 196 and name HG2 )) (( segid " A" and resid 196 and name HD2 )) 6.000 4.500 0.000 peak 1336 spectrum 1 weight 0.10000E+01 volume 0.16237E-02 ppm1 1.985 ppm2 3.678 CV 1 ASSI { 1337} (( segid " A" and resid 196 and name HG1 )) (( segid " A" and resid 196 and name HD2 )) 6.000 4.500 0.000 peak 1337 spectrum 1 weight 0.10000E+01 volume 0.20593E-02 ppm1 2.066 ppm2 3.687 CV 1 ASSI { 1338} (( segid " A" and resid 129 and name HG2 )) (( segid " A" and resid 129 and name HA )) 6.000 4.500 0.000 peak 1338 spectrum 1 weight 0.10000E+01 volume 0.19177E-02 ppm1 1.532 ppm2 3.661 CV 1 OR { 1338} (( segid " A" and resid 129 and name HG1 )) (( segid " A" and resid 129 and name HA )) ASSI { 1339} (( segid " A" and resid 226 and name HG1 )) (( segid " A" and resid 226 and name HA )) 6.000 4.500 0.000 peak 1339 spectrum 1 weight 0.10000E+01 volume 0.88654E-03 ppm1 1.183 ppm2 3.671 CV 1 ASSI { 1340} (( segid " A" and resid 226 and name HG2 )) (( segid " A" and resid 226 and name HA )) 6.000 4.500 0.000 peak 1340 spectrum 1 weight 0.10000E+01 volume 0.19091E-02 ppm1 1.335 ppm2 3.680 CV 1 ASSI { 1341} ( segid " A" and resid 213 and name HG1%) (( segid " A" and resid 226 and name HA )) 6.000 4.500 0.000 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.79389E-03 ppm1 0.373 ppm2 3.663 CV 1 OR { 1341} ( segid " A" and resid 216 and name HG2%) (( segid " A" and resid 226 and name HA )) OR { 1341} ( segid " A" and resid 213 and name HG1%) (( segid " A" and resid 263 and name HA )) ASSI { 1343} ( segid " A" and resid 266 and name HB% ) (( segid " A" and resid 263 and name HA )) 6.000 4.500 0.000 peak 1343 spectrum 1 weight 0.10000E+01 volume 0.34690E-02 ppm1 1.248 ppm2 3.679 CV 1 ASSI { 1344} ( segid " A" and resid 255 and name HG2%) (( segid " A" and resid 226 and name HA )) 6.000 4.500 0.000 peak 1344 spectrum 1 weight 0.10000E+01 volume 0.12032E-02 ppm1 0.219 ppm2 3.686 CV 1 OR { 1344} ( segid " A" and resid 255 and name HG2%) (( segid " A" and resid 263 and name HA )) ASSI { 1345} ( segid " A" and resid 110 and name HG2%) (( segid " A" and resid 110 and name HA )) 6.000 4.500 0.000 peak 1345 spectrum 1 weight 0.10000E+01 volume 0.78600E-02 ppm1 0.838 ppm2 3.669 CV 1 ASSI { 1346} ( segid " A" and resid 235 and name HD1%) (( segid " A" and resid 226 and name HA )) 6.000 4.500 0.000 peak 1346 spectrum 1 weight 0.10000E+01 volume 0.28690E-02 ppm1 0.678 ppm2 3.665 CV 1 ASSI { 1347} ( segid " A" and resid 255 and name HD1%) (( segid " A" and resid 226 and name HA )) 6.000 4.500 0.000 peak 1347 spectrum 1 weight 0.10000E+01 volume 0.14323E-02 ppm1 -0.127 ppm2 3.666 CV 1 ASSI { 1348} ( segid " A" and resid 110 and name HD1%) (( segid " A" and resid 110 and name HA )) 6.000 4.500 0.000 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.10204E-01 ppm1 0.737 ppm2 3.668 CV 1 ASSI { 1349} ( segid " A" and resid 197 and name HD1%) (( segid " A" and resid 196 and name HD2 )) 6.000 4.500 0.000 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.12442E-02 ppm1 0.788 ppm2 3.678 CV 1 ASSI { 1350} (( segid " A" and resid 196 and name HA )) (( segid " A" and resid 196 and name HD2 )) 6.000 4.500 0.000 peak 1350 spectrum 1 weight 0.10000E+01 volume 0.56699E-03 ppm1 4.429 ppm2 3.657 CV 1 ASSI { 1351} (( segid " A" and resid 114 and name HA )) (( segid " A" and resid 166 and name HA )) 6.000 4.500 0.000 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.82438E-03 ppm1 4.734 ppm2 3.643 CV 1 OR { 1351} (( segid " A" and resid 132 and name HA )) (( segid " A" and resid 129 and name HA )) OR { 1351} (( segid " A" and resid 114 and name HA )) (( segid " A" and resid 110 and name HA )) ASSI { 1353} (( segid " A" and resid 219 and name HA )) (( segid " A" and resid 218 and name HA )) 6.000 4.500 0.000 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.67606E-03 ppm1 4.738 ppm2 3.648 CV 1 OR { 1353} (( segid " A" and resid 221 and name HA )) (( segid " A" and resid 218 and name HA )) OR { 1353} (( segid " A" and resid 133 and name HA )) (( segid " A" and resid 129 and name HA )) ASSI { 1354} (( segid " A" and resid 159 and name HA )) (( segid " A" and resid 166 and name HA )) 6.000 4.500 0.000 peak 1354 spectrum 1 weight 0.10000E+01 volume 0.51488E-03 ppm1 5.026 ppm2 3.644 CV 1 OR { 1354} (( segid " A" and resid 159 and name HA )) (( segid " A" and resid 110 and name HA )) ASSI { 1356} (( segid " A" and resid 129 and name HD2 )) (( segid " A" and resid 129 and name HA )) 6.000 4.500 0.000 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.89356E-03 ppm1 3.327 ppm2 3.648 CV 1 ASSI { 1357} (( segid " A" and resid 121 and name HB2 )) (( segid " A" and resid 121 and name HA )) 6.000 4.500 0.000 peak 1357 spectrum 1 weight 0.10000E+01 volume 0.13426E-02 ppm1 2.812 ppm2 3.639 CV 1 ASSI { 1358} ( segid " A" and resid 220 and name HD2%) (( segid " A" and resid 226 and name HA )) 6.000 4.500 0.000 peak 1358 spectrum 1 weight 0.10000E+01 volume 0.94491E-03 ppm1 0.906 ppm2 3.659 CV 1 OR { 1358} ( segid " A" and resid 220 and name HD2%) (( segid " A" and resid 276 and name HA1 )) OR { 1358} ( segid " A" and resid 220 and name HD2%) (( segid " A" and resid 218 and name HA )) ASSI { 1359} ( segid " A" and resid 216 and name HG1%) (( segid " A" and resid 218 and name HA )) 6.000 4.500 0.000 peak 1359 spectrum 1 weight 0.10000E+01 volume 0.11653E-02 ppm1 0.672 ppm2 3.650 CV 1 ASSI { 1360} ( segid " A" and resid 114 and name HG1%) (( segid " A" and resid 166 and name HA )) 6.000 4.500 0.000 peak 1360 spectrum 1 weight 0.10000E+01 volume 0.44581E-02 ppm1 0.884 ppm2 3.646 CV 1 ASSI { 1361} ( segid " A" and resid 166 and name HB% ) (( segid " A" and resid 166 and name HA )) 6.000 4.500 0.000 peak 1361 spectrum 1 weight 0.10000E+01 volume 0.90048E-02 ppm1 1.459 ppm2 3.650 CV 1 ASSI { 1362} ( segid " A" and resid 169 and name HB% ) (( segid " A" and resid 166 and name HA )) 6.000 4.500 0.000 peak 1362 spectrum 1 weight 0.10000E+01 volume 0.31998E-02 ppm1 1.345 ppm2 3.651 CV 1 ASSI { 1365} (( segid " A" and resid 163 and name HA )) (( segid " A" and resid 163 and name HD2 )) 6.000 4.500 0.000 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.91994E-03 ppm1 4.135 ppm2 3.616 CV 1 ASSI { 1366} (( segid " A" and resid 218 and name HG1 )) (( segid " A" and resid 218 and name HA )) 6.000 4.500 0.000 peak 1366 spectrum 1 weight 0.10000E+01 volume 0.17102E-02 ppm1 2.207 ppm2 3.630 CV 1 ASSI { 1367} (( segid " A" and resid 218 and name HG2 )) (( segid " A" and resid 218 and name HA )) 6.000 4.500 0.000 peak 1367 spectrum 1 weight 0.10000E+01 volume 0.20150E-02 ppm1 2.103 ppm2 3.630 CV 1 ASSI { 1368} (( segid " A" and resid 163 and name HB1 )) (( segid " A" and resid 163 and name HD2 )) 6.000 4.500 0.000 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.85486E-03 ppm1 1.710 ppm2 3.607 CV 1 ASSI { 1369} (( segid " A" and resid 218 and name HB1 )) (( segid " A" and resid 218 and name HA )) 6.000 4.500 0.000 peak 1369 spectrum 1 weight 0.10000E+01 volume 0.46581E-02 ppm1 1.853 ppm2 3.629 CV 1 ASSI { 1370} (( segid " A" and resid 218 and name HB2 )) (( segid " A" and resid 218 and name HA )) 6.000 4.500 0.000 peak 1370 spectrum 1 weight 0.10000E+01 volume 0.48137E-02 ppm1 1.785 ppm2 3.629 CV 1 ASSI { 1371} ( segid " A" and resid 168 and name HD2%) (( segid " A" and resid 165 and name HA )) 6.000 4.500 0.000 peak 1371 spectrum 1 weight 0.10000E+01 volume 0.15448E-02 ppm1 1.013 ppm2 3.628 CV 1 ASSI { 1372} ( segid " A" and resid 220 and name HD1%) (( segid " A" and resid 276 and name HA2 )) 6.000 4.500 0.000 peak 1372 spectrum 1 weight 0.10000E+01 volume 0.10102E-02 ppm1 0.692 ppm2 3.624 CV 1 OR { 1372} ( segid " A" and resid 220 and name HD1%) (( segid " A" and resid 218 and name HA )) ASSI { 1373} ( segid " A" and resid 214 and name HB% ) (( segid " A" and resid 165 and name HA )) 6.000 4.500 0.000 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.11048E-02 ppm1 1.273 ppm2 3.629 CV 1 ASSI { 1374} ( segid " A" and resid 165 and name HB% ) (( segid " A" and resid 165 and name HA )) 6.000 4.500 0.000 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.48581E-02 ppm1 0.648 ppm2 3.621 CV 1 ASSI { 1375} (( segid " A" and resid 162 and name HA )) (( segid " A" and resid 163 and name HD2 )) 6.000 4.500 0.000 peak 1375 spectrum 1 weight 0.10000E+01 volume 0.26333E-02 ppm1 4.856 ppm2 3.587 CV 1 ASSI { 1376} (( segid " A" and resid 162 and name HB )) (( segid " A" and resid 163 and name HD2 )) 6.000 4.500 0.000 peak 1376 spectrum 1 weight 0.10000E+01 volume 0.18172E-02 ppm1 2.196 ppm2 3.590 CV 1 ASSI { 1377} (( segid " A" and resid 163 and name HB2 )) (( segid " A" and resid 163 and name HD2 )) 6.000 4.500 0.000 peak 1377 spectrum 1 weight 0.10000E+01 volume 0.28495E-02 ppm1 2.127 ppm2 3.586 CV 1 ASSI { 1378} ( segid " A" and resid 275 and name HD1%) (( segid " A" and resid 276 and name HA2 )) 6.000 4.500 0.000 peak 1378 spectrum 1 weight 0.10000E+01 volume 0.11253E-02 ppm1 1.043 ppm2 3.593 CV 1 OR { 1378} ( segid " A" and resid 275 and name HD1%) (( segid " A" and resid 228 and name HA )) ASSI { 1380} ( segid " A" and resid 162 and name HG2%) (( segid " A" and resid 163 and name HD2 )) 6.000 4.500 0.000 peak 1380 spectrum 1 weight 0.10000E+01 volume 0.34798E-02 ppm1 0.778 ppm2 3.598 CV 1 ASSI { 1383} (( segid " A" and resid 109 and name HA )) (( segid " A" and resid 112 and name HB1 )) 6.000 4.500 0.000 peak 1383 spectrum 1 weight 0.10000E+01 volume 0.77919E-03 ppm1 4.102 ppm2 3.567 CV 1 ASSI { 1384} (( segid " A" and resid 260 and name HA )) (( segid " A" and resid 209 and name HB2 )) 6.000 4.500 0.000 peak 1384 spectrum 1 weight 0.10000E+01 volume 0.15956E-02 ppm1 3.913 ppm2 3.567 CV 1 OR { 1384} (( segid " A" and resid 260 and name HA )) (( segid " A" and resid 257 and name HB2 )) ASSI { 1385} (( segid " A" and resid 256 and name HA )) (( segid " A" and resid 257 and name HB2 )) 6.000 4.500 0.000 peak 1385 spectrum 1 weight 0.10000E+01 volume 0.51272E-03 ppm1 5.024 ppm2 3.562 CV 1 OR { 1385} (( segid " A" and resid 159 and name HA )) (( segid " A" and resid 112 and name HB1 )) ASSI { 1389} (( segid " A" and resid 201 and name HB1 )) (( segid " A" and resid 198 and name HA )) 6.000 4.500 0.000 peak 1389 spectrum 1 weight 0.10000E+01 volume 0.60526E-03 ppm1 1.443 ppm2 3.567 CV 1 ASSI { 1390} (( segid " A" and resid 209 and name HB1 )) (( segid " A" and resid 209 and name HB2 )) 6.000 4.500 0.000 peak 1390 spectrum 1 weight 0.10000E+01 volume 0.22896E-02 ppm1 2.659 ppm2 3.573 CV 1 ASSI { 1391} (( segid " A" and resid 228 and name HB )) (( segid " A" and resid 228 and name HA )) 6.000 4.500 0.000 peak 1391 spectrum 1 weight 0.10000E+01 volume 0.11545E-02 ppm1 2.069 ppm2 3.569 CV 1 ASSI { 1392} (( segid " A" and resid 198 and name HG11)) (( segid " A" and resid 198 and name HA )) 6.000 4.500 0.000 peak 1392 spectrum 1 weight 0.10000E+01 volume 0.76935E-03 ppm1 1.234 ppm2 3.558 CV 1 ASSI { 1393} (( segid " A" and resid 112 and name HB2 )) (( segid " A" and resid 112 and name HB1 )) 6.000 4.500 0.000 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.18788E-02 ppm1 3.054 ppm2 3.567 CV 1 ASSI { 1394} ( segid " A" and resid 108 and name HD2%) (( segid " A" and resid 112 and name HB1 )) 6.000 4.500 0.000 peak 1394 spectrum 1 weight 0.10000E+01 volume 0.25944E-02 ppm1 0.869 ppm2 3.568 CV 1 OR { 1394} ( segid " A" and resid 108 and name HD2%) (( segid " A" and resid 198 and name HA )) ASSI { 1395} ( segid " A" and resid 228 and name HG1%) (( segid " A" and resid 228 and name HA )) 6.000 4.500 0.000 peak 1395 spectrum 1 weight 0.10000E+01 volume 0.75703E-02 ppm1 0.983 ppm2 3.553 CV 1 ASSI { 1396} ( segid " A" and resid 228 and name HG2%) (( segid " A" and resid 228 and name HA )) 6.000 4.500 0.000 peak 1396 spectrum 1 weight 0.10000E+01 volume 0.37911E-02 ppm1 0.473 ppm2 3.566 CV 1 ASSI { 1397} ( segid " A" and resid 231 and name HB% ) (( segid " A" and resid 228 and name HA )) 6.000 4.500 0.000 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.10755E-02 ppm1 0.932 ppm2 3.561 CV 1 ASSI { 1398} ( segid " A" and resid 270 and name HE% ) (( segid " A" and resid 228 and name HA )) 6.000 4.500 0.000 peak 1398 spectrum 1 weight 0.10000E+01 volume 0.11632E-02 ppm1 0.185 ppm2 3.553 CV 1 ASSI { 1399} (( segid " A" and resid 287 and name HB )) (( segid " A" and resid 288 and name HD1 )) 6.000 4.500 0.000 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.15015E-02 ppm1 4.197 ppm2 3.530 CV 1 ASSI { 1402} (( segid " A" and resid 287 and name HA )) (( segid " A" and resid 288 and name HD1 )) 6.000 4.500 0.000 peak 1402 spectrum 1 weight 0.10000E+01 volume 0.12540E-02 ppm1 4.649 ppm2 3.529 CV 1 ASSI { 1405} (( segid " A" and resid 201 and name HB2 )) (( segid " A" and resid 198 and name HA )) 6.000 4.500 0.000 peak 1405 spectrum 1 weight 0.10000E+01 volume 0.44397E-03 ppm1 2.135 ppm2 3.535 CV 1 ASSI { 1406} (( segid " A" and resid 257 and name HB1 )) (( segid " A" and resid 257 and name HB2 )) 6.000 4.500 0.000 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.99907E-03 ppm1 2.740 ppm2 3.542 CV 1 ASSI { 1407} (( segid " A" and resid 132 and name HB1 )) (( segid " A" and resid 132 and name HB2 )) 6.000 4.500 0.000 peak 1407 spectrum 1 weight 0.10000E+01 volume 0.70741E-03 ppm1 2.852 ppm2 3.528 CV 1 ASSI { 1408} (( segid " A" and resid 198 and name HB )) (( segid " A" and resid 198 and name HA )) 6.000 4.500 0.000 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.89486E-03 ppm1 2.001 ppm2 3.530 CV 1 ASSI { 1409} (( segid " A" and resid 200 and name HG2 )) (( segid " A" and resid 198 and name HA )) 6.000 4.500 0.000 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.92826E-03 ppm1 2.359 ppm2 3.544 CV 1 OR { 1409} (( segid " A" and resid 195 and name HG2 )) (( segid " A" and resid 198 and name HA )) OR { 1409} (( segid " A" and resid 195 and name HG1 )) (( segid " A" and resid 198 and name HA )) ASSI { 1410} (( segid " A" and resid 198 and name HG12)) (( segid " A" and resid 198 and name HA )) 6.000 4.500 0.000 peak 1410 spectrum 1 weight 0.10000E+01 volume 0.81259E-03 ppm1 1.604 ppm2 3.544 CV 1 ASSI { 1411} ( segid " A" and resid 201 and name HD1%) (( segid " A" and resid 198 and name HA )) 6.000 4.500 0.000 peak 1411 spectrum 1 weight 0.10000E+01 volume 0.29793E-02 ppm1 0.790 ppm2 3.542 CV 1 ASSI { 1412} (( segid " A" and resid 288 and name HG1 )) (( segid " A" and resid 288 and name HD1 )) 6.000 4.500 0.000 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.78806E-03 ppm1 2.310 ppm2 3.524 CV 1 ASSI { 1413} (( segid " A" and resid 288 and name HG2 )) (( segid " A" and resid 288 and name HD1 )) 6.000 4.500 0.000 peak 1413 spectrum 1 weight 0.10000E+01 volume 0.53359E-03 ppm1 1.746 ppm2 3.531 CV 1 ASSI { 1414} ( segid " A" and resid 201 and name HD2%) (( segid " A" and resid 288 and name HD1 )) 6.000 4.500 0.000 peak 1414 spectrum 1 weight 0.10000E+01 volume 0.39965E-02 ppm1 0.805 ppm2 3.536 CV 1 ASSI { 1415} ( segid " A" and resid 287 and name HG2%) (( segid " A" and resid 288 and name HD1 )) 6.000 4.500 0.000 peak 1415 spectrum 1 weight 0.10000E+01 volume 0.38851E-02 ppm1 1.073 ppm2 3.549 CV 1 OR { 1415} ( segid " A" and resid 162 and name HG1%) (( segid " A" and resid 112 and name HB1 )) ASSI { 1416} ( segid " A" and resid 158 and name HG1%) (( segid " A" and resid 132 and name HB2 )) 6.000 4.500 0.000 peak 1416 spectrum 1 weight 0.10000E+01 volume 0.13794E-02 ppm1 0.130 ppm2 3.534 CV 1 ASSI { 1417} ( segid " A" and resid 158 and name HG2%) (( segid " A" and resid 132 and name HB2 )) 6.000 4.500 0.000 peak 1417 spectrum 1 weight 0.10000E+01 volume 0.94210E-03 ppm1 0.030 ppm2 3.525 CV 1 ASSI { 1418} ( segid " A" and resid 205 and name HB% ) (( segid " A" and resid 288 and name HD1 )) 6.000 4.500 0.000 peak 1418 spectrum 1 weight 0.10000E+01 volume 0.17847E-02 ppm1 1.144 ppm2 3.535 CV 1 ASSI { 1419} ( segid " A" and resid 197 and name HG2%) (( segid " A" and resid 198 and name HA )) 6.000 4.500 0.000 peak 1419 spectrum 1 weight 0.10000E+01 volume 0.16248E-02 ppm1 0.878 ppm2 3.541 CV 1 ASSI { 1420} ( segid " A" and resid 111 and name HE% ) (( segid " A" and resid 198 and name HA )) 6.000 4.500 0.000 peak 1420 spectrum 1 weight 0.10000E+01 volume 0.34192E-02 ppm1 1.964 ppm2 3.547 CV 1 ASSI { 1421} ( segid " A" and resid 198 and name HG2%) (( segid " A" and resid 198 and name HA )) 6.000 4.500 0.000 peak 1421 spectrum 1 weight 0.10000E+01 volume 0.65012E-02 ppm1 0.922 ppm2 3.544 CV 1 ASSI { 1422} (( segid " A" and resid 196 and name HA )) (( segid " A" and resid 196 and name HD1 )) 6.000 4.500 0.000 peak 1422 spectrum 1 weight 0.10000E+01 volume 0.65833E-03 ppm1 4.423 ppm2 3.500 CV 1 ASSI { 1425} (( segid " A" and resid 270 and name HA )) (( segid " A" and resid 269 and name HB2 )) 6.000 4.500 0.000 peak 1425 spectrum 1 weight 0.10000E+01 volume 0.59682E-03 ppm1 4.945 ppm2 3.512 CV 1 OR { 1425} (( segid " A" and resid 184 and name HA )) (( segid " A" and resid 117 and name HA2 )) ASSI { 1426} (( segid " A" and resid 194 and name HA )) (( segid " A" and resid 196 and name HD1 )) 6.000 4.500 0.000 peak 1426 spectrum 1 weight 0.10000E+01 volume 0.57877E-03 ppm1 4.486 ppm2 3.504 CV 1 ASSI { 1428} (( segid " A" and resid 196 and name HB2 )) (( segid " A" and resid 196 and name HD1 )) 6.000 4.500 0.000 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.90880E-03 ppm1 2.380 ppm2 3.497 CV 1 ASSI { 1429} (( segid " A" and resid 196 and name HB1 )) (( segid " A" and resid 196 and name HD1 )) 6.000 4.500 0.000 peak 1429 spectrum 1 weight 0.10000E+01 volume 0.99907E-03 ppm1 1.749 ppm2 3.499 CV 1 ASSI { 1430} (( segid " A" and resid 196 and name HG1 )) (( segid " A" and resid 196 and name HD1 )) 6.000 4.500 0.000 peak 1430 spectrum 1 weight 0.10000E+01 volume 0.17977E-02 ppm1 2.066 ppm2 3.499 CV 1 ASSI { 1431} (( segid " A" and resid 196 and name HG2 )) (( segid " A" and resid 196 and name HD1 )) 6.000 4.500 0.000 peak 1431 spectrum 1 weight 0.10000E+01 volume 0.16150E-02 ppm1 1.994 ppm2 3.507 CV 1 ASSI { 1432} ( segid " A" and resid 197 and name HD1%) (( segid " A" and resid 196 and name HD1 )) 6.000 4.500 0.000 peak 1432 spectrum 1 weight 0.10000E+01 volume 0.11934E-02 ppm1 0.785 ppm2 3.510 CV 1 ASSI { 1433} (( segid " A" and resid 262 and name HB2 )) (( segid " A" and resid 262 and name HB1 )) 6.000 4.500 0.000 peak 1433 spectrum 1 weight 0.10000E+01 volume 0.13123E-02 ppm1 2.857 ppm2 3.474 CV 1 ASSI { 1436} (( segid " A" and resid 193 and name HA )) (( segid " A" and resid 196 and name HD1 )) 6.000 4.500 0.000 peak 1436 spectrum 1 weight 0.10000E+01 volume 0.66125E-03 ppm1 4.176 ppm2 3.481 CV 1 ASSI { 1437} (( segid " A" and resid 266 and name HA )) (( segid " A" and resid 267 and name HA )) 6.000 4.500 0.000 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.79692E-03 ppm1 2.399 ppm2 3.473 CV 1 OR { 1437} (( segid " A" and resid 169 and name HA )) (( segid " A" and resid 135 and name HB1 )) ASSI { 1438} (( segid " A" and resid 137 and name HD2 )) (( segid " A" and resid 137 and name HD1 )) 6.000 4.500 0.000 peak 1438 spectrum 1 weight 0.10000E+01 volume 0.14410E-02 ppm1 3.186 ppm2 3.479 CV 1 ASSI { 1439} (( segid " A" and resid 282 and name HB )) (( segid " A" and resid 267 and name HA )) 6.000 4.500 0.000 peak 1439 spectrum 1 weight 0.10000E+01 volume 0.74871E-03 ppm1 1.776 ppm2 3.480 CV 1 ASSI { 1440} (( segid " A" and resid 195 and name HG2 )) (( segid " A" and resid 196 and name HD1 )) 6.000 4.500 0.000 peak 1440 spectrum 1 weight 0.10000E+01 volume 0.91161E-03 ppm1 2.360 ppm2 3.491 CV 1 OR { 1440} (( segid " A" and resid 195 and name HG1 )) (( segid " A" and resid 196 and name HD1 )) ASSI { 1441} (( segid " A" and resid 267 and name HB )) (( segid " A" and resid 267 and name HA )) 6.000 4.500 0.000 peak 1441 spectrum 1 weight 0.10000E+01 volume 0.24798E-02 ppm1 2.063 ppm2 3.473 CV 1 ASSI { 1442} (( segid " A" and resid 137 and name HG1 )) (( segid " A" and resid 137 and name HD1 )) 6.000 4.500 0.000 peak 1442 spectrum 1 weight 0.10000E+01 volume 0.88102E-03 ppm1 2.292 ppm2 3.475 CV 1 ASSI { 1443} (( segid " A" and resid 137 and name HG2 )) (( segid " A" and resid 137 and name HD1 )) 6.000 4.500 0.000 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.12161E-02 ppm1 2.209 ppm2 3.476 CV 1 ASSI { 1445} (( segid " A" and resid 193 and name HB1 )) (( segid " A" and resid 196 and name HD1 )) 6.000 4.500 0.000 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.65736E-03 ppm1 2.155 ppm2 3.487 CV 1 ASSI { 1446} ( segid " A" and resid 240 and name HD1%) (( segid " A" and resid 216 and name HA )) 6.000 4.500 0.000 peak 1446 spectrum 1 weight 0.10000E+01 volume 0.56764E-03 ppm1 -0.081 ppm2 3.475 CV 1 OR { 1446} ( segid " A" and resid 240 and name HD1%) (( segid " A" and resid 229 and name HB1 )) ASSI { 1447} ( segid " A" and resid 267 and name HG2%) (( segid " A" and resid 267 and name HA )) 6.000 4.500 0.000 peak 1447 spectrum 1 weight 0.10000E+01 volume 0.12875E-01 ppm1 0.994 ppm2 3.471 CV 1 ASSI { 1448} ( segid " A" and resid 267 and name HG1%) (( segid " A" and resid 267 and name HA )) 6.000 4.500 0.000 peak 1448 spectrum 1 weight 0.10000E+01 volume 0.80038E-02 ppm1 0.958 ppm2 3.470 CV 1 ASSI { 1449} ( segid " A" and resid 211 and name HG2%) (( segid " A" and resid 267 and name HA )) 6.000 4.500 0.000 peak 1449 spectrum 1 weight 0.10000E+01 volume 0.14583E-02 ppm1 0.955 ppm2 3.486 CV 1 ASSI { 1450} ( segid " A" and resid 225 and name HG2%) (( segid " A" and resid 229 and name HB1 )) 6.000 4.500 0.000 peak 1450 spectrum 1 weight 0.10000E+01 volume 0.14540E-02 ppm1 0.614 ppm2 3.469 CV 1 ASSI { 1451} ( segid " A" and resid 255 and name HG2%) (( segid " A" and resid 229 and name HB1 )) 6.000 4.500 0.000 peak 1451 spectrum 1 weight 0.10000E+01 volume 0.11502E-02 ppm1 0.218 ppm2 3.476 CV 1 ASSI { 1452} ( segid " A" and resid 211 and name HD1%) (( segid " A" and resid 267 and name HA )) 6.000 4.500 0.000 peak 1452 spectrum 1 weight 0.10000E+01 volume 0.13956E-02 ppm1 0.737 ppm2 3.477 CV 1 ASSI { 1453} ( segid " A" and resid 235 and name HD1%) (( segid " A" and resid 229 and name HB1 )) 6.000 4.500 0.000 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.20312E-02 ppm1 0.677 ppm2 3.474 CV 1 ASSI { 1454} ( segid " A" and resid 255 and name HD1%) (( segid " A" and resid 229 and name HB1 )) 6.000 4.500 0.000 peak 1454 spectrum 1 weight 0.10000E+01 volume 0.21036E-02 ppm1 -0.126 ppm2 3.471 CV 1 ASSI { 1455} (( segid " A" and resid 144 and name HB1 )) (( segid " A" and resid 144 and name HB2 )) 6.000 4.500 0.000 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.32430E-02 ppm1 3.166 ppm2 3.456 CV 1 ASSI { 1457} ( segid " A" and resid 275 and name HD2%) (( segid " A" and resid 216 and name HA )) 6.000 4.500 0.000 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.81854E-03 ppm1 0.970 ppm2 3.461 CV 1 ASSI { 1458} ( segid " A" and resid 220 and name HD2%) (( segid " A" and resid 216 and name HA )) 6.000 4.500 0.000 peak 1458 spectrum 1 weight 0.10000E+01 volume 0.96988E-03 ppm1 0.905 ppm2 3.444 CV 1 ASSI { 1459} ( segid " A" and resid 280 and name HD1%) (( segid " A" and resid 216 and name HA )) 6.000 4.500 0.000 peak 1459 spectrum 1 weight 0.10000E+01 volume 0.86016E-03 ppm1 1.051 ppm2 3.446 CV 1 ASSI { 1460} ( segid " A" and resid 280 and name HD2%) (( segid " A" and resid 216 and name HA )) 6.000 4.500 0.000 peak 1460 spectrum 1 weight 0.10000E+01 volume 0.43305E-02 ppm1 0.869 ppm2 3.448 CV 1 ASSI { 1461} ( segid " A" and resid 214 and name HB% ) (( segid " A" and resid 135 and name HB1 )) 6.000 4.500 0.000 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.12021E-02 ppm1 1.273 ppm2 3.461 CV 1 OR { 1461} ( segid " A" and resid 214 and name HB% ) (( segid " A" and resid 216 and name HA )) ASSI { 1462} ( segid " A" and resid 216 and name HG1%) (( segid " A" and resid 216 and name HA )) 6.000 4.500 0.000 peak 1462 spectrum 1 weight 0.10000E+01 volume 0.47413E-02 ppm1 0.671 ppm2 3.449 CV 1 ASSI { 1463} ( segid " A" and resid 240 and name HD2%) (( segid " A" and resid 216 and name HA )) 6.000 4.500 0.000 peak 1463 spectrum 1 weight 0.10000E+01 volume 0.64850E-03 ppm1 0.084 ppm2 3.446 CV 1 ASSI { 1464} ( segid " A" and resid 216 and name HG2%) (( segid " A" and resid 216 and name HA )) 6.000 4.500 0.000 peak 1464 spectrum 1 weight 0.10000E+01 volume 0.60688E-02 ppm1 0.374 ppm2 3.448 CV 1 ASSI { 1466} ( segid " A" and resid 165 and name HB% ) (( segid " A" and resid 135 and name HB1 )) 6.000 4.500 0.000 peak 1466 spectrum 1 weight 0.10000E+01 volume 0.16031E-02 ppm1 0.649 ppm2 3.453 CV 1 ASSI { 1467} ( segid " A" and resid 266 and name HB% ) (( segid " A" and resid 267 and name HA )) 6.000 4.500 0.000 peak 1467 spectrum 1 weight 0.10000E+01 volume 0.27274E-02 ppm1 1.247 ppm2 3.462 CV 1 ASSI { 1468} ( segid " A" and resid 225 and name HD1%) (( segid " A" and resid 216 and name HA )) 6.000 4.500 0.000 peak 1468 spectrum 1 weight 0.10000E+01 volume 0.14734E-02 ppm1 0.632 ppm2 3.454 CV 1 ASSI { 1470} (( segid " A" and resid 232 and name HB2 )) (( segid " A" and resid 232 and name HB1 )) 6.000 4.500 0.000 peak 1470 spectrum 1 weight 0.10000E+01 volume 0.96156E-03 ppm1 2.734 ppm2 3.428 CV 1 ASSI { 1471} (( segid " A" and resid 216 and name HB )) (( segid " A" and resid 216 and name HA )) 6.000 4.500 0.000 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.52180E-03 ppm1 1.279 ppm2 3.435 CV 1 ASSI { 1472} ( segid " A" and resid 168 and name HD2%) (( segid " A" and resid 135 and name HB1 )) 6.000 4.500 0.000 peak 1472 spectrum 1 weight 0.10000E+01 volume 0.11145E-02 ppm1 1.010 ppm2 3.427 CV 1 ASSI { 1473} ( segid " A" and resid 138 and name HG2%) (( segid " A" and resid 129 and name HD2 )) 6.000 4.500 0.000 peak 1473 spectrum 1 weight 0.10000E+01 volume 0.88102E-03 ppm1 0.538 ppm2 3.335 CV 1 ASSI { 1475} (( segid " A" and resid 270 and name HA )) (( segid " A" and resid 273 and name HB1 )) 6.000 4.500 0.000 peak 1475 spectrum 1 weight 0.10000E+01 volume 0.95885E-03 ppm1 4.948 ppm2 3.320 CV 1 ASSI { 1477} (( segid " A" and resid 130 and name HG2 )) (( segid " A" and resid 129 and name HD2 )) 6.000 4.500 0.000 peak 1477 spectrum 1 weight 0.10000E+01 volume 0.59477E-03 ppm1 2.537 ppm2 3.314 CV 1 ASSI { 1478} (( segid " A" and resid 129 and name HB1 )) (( segid " A" and resid 129 and name HD2 )) 6.000 4.500 0.000 peak 1478 spectrum 1 weight 0.10000E+01 volume 0.12659E-02 ppm1 1.887 ppm2 3.317 CV 1 ASSI { 1479} (( segid " A" and resid 129 and name HG1 )) (( segid " A" and resid 129 and name HD2 )) 6.000 4.500 0.000 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.25544E-02 ppm1 1.529 ppm2 3.326 CV 1 OR { 1479} (( segid " A" and resid 129 and name HG2 )) (( segid " A" and resid 129 and name HD2 )) ASSI { 1480} ( segid " A" and resid 280 and name HD1%) (( segid " A" and resid 273 and name HB1 )) 6.000 4.500 0.000 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.11642E-02 ppm1 1.049 ppm2 3.317 CV 1 ASSI { 1481} ( segid " A" and resid 285 and name HB% ) (( segid " A" and resid 164 and name HA )) 6.000 4.500 0.000 peak 1481 spectrum 1 weight 0.10000E+01 volume 0.85875E-03 ppm1 1.511 ppm2 3.305 CV 1 ASSI { 1482} ( segid " A" and resid 133 and name HB% ) (( segid " A" and resid 129 and name HD2 )) 6.000 4.500 0.000 peak 1482 spectrum 1 weight 0.10000E+01 volume 0.80870E-03 ppm1 1.612 ppm2 3.324 CV 1 ASSI { 1483} ( segid " A" and resid 270 and name HE% ) (( segid " A" and resid 273 and name HB1 )) 6.000 4.500 0.000 peak 1483 spectrum 1 weight 0.10000E+01 volume 0.17285E-02 ppm1 0.183 ppm2 3.315 CV 1 ASSI { 1484} ( segid " A" and resid 141 and name HD1%) (( segid " A" and resid 129 and name HD2 )) 6.000 4.500 0.000 peak 1484 spectrum 1 weight 0.10000E+01 volume 0.18010E-02 ppm1 0.738 ppm2 3.326 CV 1 OR { 1484} ( segid " A" and resid 138 and name HD1%) (( segid " A" and resid 129 and name HD2 )) ASSI { 1485} ( segid " A" and resid 280 and name HD1%) (( segid " A" and resid 273 and name HB1 )) 6.000 4.500 0.000 peak 1485 spectrum 1 weight 0.10000E+01 volume 0.91994E-03 ppm1 1.015 ppm2 3.291 CV 1 OR { 1485} ( segid " A" and resid 168 and name HD2%) (( segid " A" and resid 164 and name HA )) ASSI { 1486} ( segid " A" and resid 275 and name HD1%) (( segid " A" and resid 273 and name HB1 )) 6.000 4.500 0.000 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.57877E-03 ppm1 1.046 ppm2 3.281 CV 1 ASSI { 1487} ( segid " A" and resid 228 and name HG1%) (( segid " A" and resid 273 and name HB1 )) 6.000 4.500 0.000 peak 1487 spectrum 1 weight 0.10000E+01 volume 0.19037E-02 ppm1 0.981 ppm2 3.293 CV 1 ASSI { 1488} ( segid " A" and resid 287 and name HG2%) (( segid " A" and resid 164 and name HA )) 6.000 4.500 0.000 peak 1488 spectrum 1 weight 0.10000E+01 volume 0.13286E-02 ppm1 1.060 ppm2 3.293 CV 1 OR { 1488} ( segid " A" and resid 162 and name HG1%) (( segid " A" and resid 164 and name HA )) ASSI { 1489} ( segid " A" and resid 286 and name HG1%) (( segid " A" and resid 164 and name HA )) 6.000 4.500 0.000 peak 1489 spectrum 1 weight 0.10000E+01 volume 0.21317E-02 ppm1 0.781 ppm2 3.299 CV 1 ASSI { 1490} ( segid " A" and resid 286 and name HG2%) (( segid " A" and resid 164 and name HA )) 6.000 4.500 0.000 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.34463E-02 ppm1 0.550 ppm2 3.298 CV 1 ASSI { 1491} ( segid " A" and resid 111 and name HE% ) (( segid " A" and resid 164 and name HA )) 6.000 4.500 0.000 peak 1491 spectrum 1 weight 0.10000E+01 volume 0.86989E-03 ppm1 1.967 ppm2 3.293 CV 1 ASSI { 1492} ( segid " A" and resid 225 and name HD1%) (( segid " A" and resid 273 and name HB1 )) 6.000 4.500 0.000 peak 1492 spectrum 1 weight 0.10000E+01 volume 0.46137E-03 ppm1 0.640 ppm2 3.288 CV 1 ASSI { 1493} (( segid " A" and resid 203 and name HA )) (( segid " A" and resid 206 and name HD1 )) 6.000 4.500 0.000 peak 1493 spectrum 1 weight 0.10000E+01 volume 0.28301E-02 ppm1 4.059 ppm2 3.253 CV 1 OR { 1493} (( segid " A" and resid 203 and name HA )) (( segid " A" and resid 206 and name HD2 )) ASSI { 1494} (( segid " A" and resid 206 and name HA )) (( segid " A" and resid 206 and name HD1 )) 6.000 4.500 0.000 peak 1494 spectrum 1 weight 0.10000E+01 volume 0.20150E-02 ppm1 4.188 ppm2 3.265 CV 1 OR { 1494} (( segid " A" and resid 206 and name HA )) (( segid " A" and resid 206 and name HD2 )) ASSI { 1496} (( segid " A" and resid 242 and name HA )) (( segid " A" and resid 249 and name HB1 )) 6.000 4.500 0.000 peak 1496 spectrum 1 weight 0.10000E+01 volume 0.10283E-02 ppm1 4.709 ppm2 3.270 CV 1 ASSI { 1497} (( segid " A" and resid 203 and name HG2 )) (( segid " A" and resid 206 and name HD2 )) 6.000 4.500 0.000 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.10897E-02 ppm1 2.310 ppm2 3.267 CV 1 OR { 1497} (( segid " A" and resid 203 and name HG1 )) (( segid " A" and resid 206 and name HD2 )) OR { 1497} (( segid " A" and resid 203 and name HG2 )) (( segid " A" and resid 206 and name HD1 )) OR { 1497} (( segid " A" and resid 203 and name HG1 )) (( segid " A" and resid 206 and name HD1 )) ASSI { 1499} (( segid " A" and resid 249 and name HB2 )) (( segid " A" and resid 249 and name HB1 )) 6.000 4.500 0.000 peak 1499 spectrum 1 weight 0.10000E+01 volume 0.10019E-02 ppm1 2.569 ppm2 3.267 CV 1 ASSI { 1500} (( segid " A" and resid 206 and name HB1 )) (( segid " A" and resid 206 and name HD2 )) 6.000 4.500 0.000 peak 1500 spectrum 1 weight 0.10000E+01 volume 0.78924E-02 ppm1 1.987 ppm2 3.262 CV 1 OR { 1500} (( segid " A" and resid 206 and name HB2 )) (( segid " A" and resid 206 and name HD1 )) OR { 1500} (( segid " A" and resid 206 and name HB2 )) (( segid " A" and resid 206 and name HD2 )) OR { 1500} (( segid " A" and resid 206 and name HB1 )) (( segid " A" and resid 206 and name HD1 )) ASSI { 1501} (( segid " A" and resid 206 and name HG1 )) (( segid " A" and resid 206 and name HD2 )) 6.000 4.500 0.000 peak 1501 spectrum 1 weight 0.10000E+01 volume 0.68233E-02 ppm1 1.995 ppm2 3.265 CV 1 OR { 1501} (( segid " A" and resid 206 and name HG1 )) (( segid " A" and resid 206 and name HD1 )) ASSI { 1502} (( segid " A" and resid 206 and name HG2 )) (( segid " A" and resid 206 and name HD1 )) 6.000 4.500 0.000 peak 1502 spectrum 1 weight 0.10000E+01 volume 0.86156E-02 ppm1 1.747 ppm2 3.255 CV 1 OR { 1502} (( segid " A" and resid 206 and name HG2 )) (( segid " A" and resid 206 and name HD2 )) ASSI { 1503} (( segid " A" and resid 242 and name HG2 )) (( segid " A" and resid 249 and name HB1 )) 6.000 4.500 0.000 peak 1503 spectrum 1 weight 0.10000E+01 volume 0.79389E-03 ppm1 1.326 ppm2 3.271 CV 1 ASSI { 1504} ( segid " A" and resid 240 and name HD1%) (( segid " A" and resid 249 and name HB1 )) 6.000 4.500 0.000 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.14950E-02 ppm1 -0.085 ppm2 3.270 CV 1 ASSI { 1505} ( segid " A" and resid 240 and name HD2%) (( segid " A" and resid 249 and name HB1 )) 6.000 4.500 0.000 peak 1505 spectrum 1 weight 0.10000E+01 volume 0.86156E-03 ppm1 0.087 ppm2 3.271 CV 1 ASSI { 1506} ( segid " A" and resid 205 and name HB% ) (( segid " A" and resid 206 and name HD1 )) 6.000 4.500 0.000 peak 1506 spectrum 1 weight 0.10000E+01 volume 0.14734E-02 ppm1 1.147 ppm2 3.268 CV 1 OR { 1506} ( segid " A" and resid 205 and name HB% ) (( segid " A" and resid 206 and name HD2 )) OR { 1506} ( segid " A" and resid 207 and name HB% ) (( segid " A" and resid 206 and name HD2 )) ASSI { 1507} ( segid " A" and resid 202 and name HB% ) (( segid " A" and resid 206 and name HD1 )) 6.000 4.500 0.000 peak 1507 spectrum 1 weight 0.10000E+01 volume 0.81746E-03 ppm1 1.561 ppm2 3.268 CV 1 OR { 1507} ( segid " A" and resid 202 and name HB% ) (( segid " A" and resid 206 and name HD2 )) ASSI { 1509} (( segid " A" and resid 137 and name HB2 )) (( segid " A" and resid 137 and name HD2 )) 6.000 4.500 0.000 peak 1509 spectrum 1 weight 0.10000E+01 volume 0.84016E-03 ppm1 2.048 ppm2 3.200 CV 1 ASSI { 1511} (( segid " A" and resid 136 and name HA2 )) (( segid " A" and resid 137 and name HD2 )) 6.000 4.500 0.000 peak 1511 spectrum 1 weight 0.10000E+01 volume 0.73109E-03 ppm1 4.090 ppm2 3.187 CV 1 ASSI { 1512} (( segid " A" and resid 130 and name HG1 )) (( segid " A" and resid 129 and name HD1 )) 6.000 4.500 0.000 peak 1512 spectrum 1 weight 0.10000E+01 volume 0.17177E-02 ppm1 2.411 ppm2 3.174 CV 1 ASSI { 1513} (( segid " A" and resid 137 and name HB1 )) (( segid " A" and resid 137 and name HD2 )) 6.000 4.500 0.000 peak 1513 spectrum 1 weight 0.10000E+01 volume 0.72417E-03 ppm1 2.343 ppm2 3.177 CV 1 ASSI { 1514} (( segid " A" and resid 129 and name HB1 )) (( segid " A" and resid 129 and name HD1 )) 6.000 4.500 0.000 peak 1514 spectrum 1 weight 0.10000E+01 volume 0.60374E-02 ppm1 1.870 ppm2 3.172 CV 1 ASSI { 1515} (( segid " A" and resid 137 and name HG1 )) (( segid " A" and resid 137 and name HD2 )) 6.000 4.500 0.000 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.97269E-03 ppm1 2.288 ppm2 3.188 CV 1 ASSI { 1516} (( segid " A" and resid 137 and name HG2 )) (( segid " A" and resid 137 and name HD2 )) 6.000 4.500 0.000 peak 1516 spectrum 1 weight 0.10000E+01 volume 0.15231E-02 ppm1 2.207 ppm2 3.182 CV 1 ASSI { 1517} ( segid " A" and resid 162 and name HG1%) (( segid " A" and resid 137 and name HD2 )) 6.000 4.500 0.000 peak 1517 spectrum 1 weight 0.10000E+01 volume 0.18366E-02 ppm1 1.058 ppm2 3.179 CV 1 ASSI { 1518} ( segid " A" and resid 162 and name HG2%) (( segid " A" and resid 137 and name HD2 )) 6.000 4.500 0.000 peak 1518 spectrum 1 weight 0.10000E+01 volume 0.29912E-02 ppm1 0.778 ppm2 3.175 CV 1 ASSI { 1523} (( segid " A" and resid 129 and name HD2 )) (( segid " A" and resid 129 and name HD1 )) 6.000 4.500 0.000 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.11534E-01 ppm1 3.330 ppm2 3.153 CV 1 ASSI { 1524} (( segid " A" and resid 243 and name HB2 )) (( segid " A" and resid 243 and name HB1 )) 6.000 4.500 0.000 peak 1524 spectrum 1 weight 0.10000E+01 volume 0.42851E-02 ppm1 2.398 ppm2 3.150 CV 1 ASSI { 1526} (( segid " A" and resid 210 and name HG2 )) (( segid " A" and resid 210 and name HD2 )) 6.000 4.500 0.000 peak 1526 spectrum 1 weight 0.10000E+01 volume 0.43857E-02 ppm1 1.721 ppm2 3.153 CV 1 OR { 1526} (( segid " A" and resid 210 and name HG2 )) (( segid " A" and resid 210 and name HD1 )) ASSI { 1527} (( segid " A" and resid 210 and name HG1 )) (( segid " A" and resid 210 and name HD1 )) 6.000 4.500 0.000 peak 1527 spectrum 1 weight 0.10000E+01 volume 0.29912E-02 ppm1 1.470 ppm2 3.166 CV 1 OR { 1527} (( segid " A" and resid 210 and name HG1 )) (( segid " A" and resid 210 and name HD2 )) ASSI { 1528} (( segid " A" and resid 129 and name HG2 )) (( segid " A" and resid 129 and name HD1 )) 6.000 4.500 0.000 peak 1528 spectrum 1 weight 0.10000E+01 volume 0.28376E-02 ppm1 1.531 ppm2 3.153 CV 1 OR { 1528} (( segid " A" and resid 129 and name HG1 )) (( segid " A" and resid 129 and name HD1 )) ASSI { 1529} ( segid " A" and resid 123 and name HD1%) (( segid " A" and resid 120 and name HB2 )) 6.000 4.500 0.000 peak 1529 spectrum 1 weight 0.10000E+01 volume 0.19480E-02 ppm1 0.925 ppm2 3.161 CV 1 ASSI { 1530} ( segid " A" and resid 272 and name HD2%) (( segid " A" and resid 281 and name HD1 )) 6.000 4.500 0.000 peak 1530 spectrum 1 weight 0.10000E+01 volume 0.45856E-02 ppm1 0.700 ppm2 3.144 CV 1 OR { 1530} ( segid " A" and resid 116 and name HG2%) (( segid " A" and resid 120 and name HB2 )) ASSI { 1531} ( segid " A" and resid 246 and name HG2%) (( segid " A" and resid 243 and name HB1 )) 6.000 4.500 0.000 peak 1531 spectrum 1 weight 0.10000E+01 volume 0.21317E-02 ppm1 1.179 ppm2 3.161 CV 1 ASSI { 1532} ( segid " A" and resid 138 and name HG2%) (( segid " A" and resid 129 and name HD1 )) 6.000 4.500 0.000 peak 1532 spectrum 1 weight 0.10000E+01 volume 0.84405E-03 ppm1 0.533 ppm2 3.150 CV 1 ASSI { 1533} ( segid " A" and resid 141 and name HD1%) (( segid " A" and resid 129 and name HD1 )) 6.000 4.500 0.000 peak 1533 spectrum 1 weight 0.10000E+01 volume 0.35133E-02 ppm1 0.733 ppm2 3.159 CV 1 OR { 1533} ( segid " A" and resid 138 and name HD1%) (( segid " A" and resid 129 and name HD1 )) ASSI { 1534} (( segid " A" and resid 160 and name HA )) (( segid " A" and resid 160 and name HB1 )) 6.000 4.500 0.000 peak 1534 spectrum 1 weight 0.10000E+01 volume 0.90048E-03 ppm1 5.114 ppm2 3.124 CV 1 ASSI { 1535} (( segid " A" and resid 120 and name HB1 )) (( segid " A" and resid 120 and name HB2 )) 6.000 4.500 0.000 peak 1535 spectrum 1 weight 0.10000E+01 volume 0.11675E-02 ppm1 2.750 ppm2 3.135 CV 1 ASSI { 1536} ( segid " A" and resid 168 and name HD2%) (( segid " A" and resid 281 and name HD2 )) 6.000 4.500 0.000 peak 1536 spectrum 1 weight 0.10000E+01 volume 0.11880E-02 ppm1 1.010 ppm2 3.138 CV 1 OR { 1536} ( segid " A" and resid 168 and name HD2%) (( segid " A" and resid 281 and name HD1 )) ASSI { 1537} ( segid " A" and resid 123 and name HD2%) (( segid " A" and resid 120 and name HB2 )) 6.000 4.500 0.000 peak 1537 spectrum 1 weight 0.10000E+01 volume 0.16993E-02 ppm1 0.951 ppm2 3.136 CV 1 ASSI { 1538} ( segid " A" and resid 165 and name HB% ) (( segid " A" and resid 160 and name HB1 )) 6.000 4.500 0.000 peak 1538 spectrum 1 weight 0.10000E+01 volume 0.20734E-02 ppm1 0.649 ppm2 3.139 CV 1 ASSI { 1539} (( segid " A" and resid 132 and name HA )) (( segid " A" and resid 134 and name HD2 )) 6.000 4.500 0.000 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.67498E-03 ppm1 4.741 ppm2 3.091 CV 1 ASSI { 1541} (( segid " A" and resid 146 and name HB2 )) (( segid " A" and resid 146 and name HB1 )) 6.000 4.500 0.000 peak 1541 spectrum 1 weight 0.10000E+01 volume 0.33176E-02 ppm1 2.300 ppm2 3.096 CV 1 ASSI { 1542} (( segid " A" and resid 160 and name HB2 )) (( segid " A" and resid 160 and name HB1 )) 6.000 4.500 0.000 peak 1542 spectrum 1 weight 0.10000E+01 volume 0.59964E-03 ppm1 2.779 ppm2 3.100 CV 1 ASSI { 1543} (( segid " A" and resid 134 and name HB1 )) (( segid " A" and resid 134 and name HD2 )) 6.000 4.500 0.000 peak 1543 spectrum 1 weight 0.10000E+01 volume 0.46343E-03 ppm1 0.290 ppm2 3.092 CV 1 ASSI { 1544} (( segid " A" and resid 281 and name HG2 )) (( segid " A" and resid 281 and name HD2 )) 6.000 4.500 0.000 peak 1544 spectrum 1 weight 0.10000E+01 volume 0.10450E-02 ppm1 0.968 ppm2 3.106 CV 1 ASSI { 1545} ( segid " A" and resid 148 and name HG2%) (( segid " A" and resid 146 and name HB1 )) 6.000 4.500 0.000 peak 1545 spectrum 1 weight 0.10000E+01 volume 0.11048E-02 ppm1 0.886 ppm2 3.086 CV 1 OR { 1545} ( segid " A" and resid 176 and name HG2%) (( segid " A" and resid 281 and name HD2 )) OR { 1545} ( segid " A" and resid 114 and name HG1%) (( segid " A" and resid 113 and name HD2 )) ASSI { 1546} ( segid " A" and resid 133 and name HB% ) (( segid " A" and resid 134 and name HD2 )) 6.000 4.500 0.000 peak 1546 spectrum 1 weight 0.10000E+01 volume 0.25858E-02 ppm1 1.608 ppm2 3.087 CV 1 ASSI { 1547} (( segid " A" and resid 134 and name HA )) (( segid " A" and resid 134 and name HD2 )) 6.000 4.500 0.000 peak 1547 spectrum 1 weight 0.10000E+01 volume 0.77919E-03 ppm1 4.023 ppm2 3.082 CV 1 ASSI { 1549} (( segid " A" and resid 113 and name HA )) (( segid " A" and resid 112 and name HB2 )) 6.000 4.500 0.000 peak 1549 spectrum 1 weight 0.10000E+01 volume 0.56558E-03 ppm1 5.352 ppm2 3.066 CV 1 OR { 1549} (( segid " A" and resid 113 and name HA )) (( segid " A" and resid 113 and name HD2 )) ASSI { 1550} (( segid " A" and resid 109 and name HA )) (( segid " A" and resid 112 and name HB2 )) 6.000 4.500 0.000 peak 1550 spectrum 1 weight 0.10000E+01 volume 0.90599E-03 ppm1 4.102 ppm2 3.059 CV 1 ASSI { 1552} (( segid " A" and resid 113 and name HD1 )) (( segid " A" and resid 113 and name HD2 )) 6.000 4.500 0.000 peak 1552 spectrum 1 weight 0.10000E+01 volume 0.96610E-02 ppm1 2.901 ppm2 3.068 CV 1 ASSI { 1554} (( segid " A" and resid 113 and name HB2 )) (( segid " A" and resid 113 and name HD2 )) 6.000 4.500 0.000 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.15956E-02 ppm1 1.733 ppm2 3.060 CV 1 ASSI { 1555} (( segid " A" and resid 217 and name HB1 )) (( segid " A" and resid 217 and name HB2 )) 6.000 4.500 0.000 peak 1555 spectrum 1 weight 0.10000E+01 volume 0.10033E-02 ppm1 2.790 ppm2 3.069 CV 1 ASSI { 1556} (( segid " A" and resid 113 and name HG1 )) (( segid " A" and resid 113 and name HD2 )) 6.000 4.500 0.000 peak 1556 spectrum 1 weight 0.10000E+01 volume 0.17199E-02 ppm1 1.393 ppm2 3.074 CV 1 ASSI { 1557} ( segid " A" and resid 220 and name HD2%) (( segid " A" and resid 217 and name HB2 )) 6.000 4.500 0.000 peak 1557 spectrum 1 weight 0.10000E+01 volume 0.23544E-02 ppm1 0.903 ppm2 3.059 CV 1 ASSI { 1558} ( segid " A" and resid 149 and name HG2%) (( segid " A" and resid 146 and name HB1 )) 6.000 4.500 0.000 peak 1558 spectrum 1 weight 0.10000E+01 volume 0.10199E-02 ppm1 1.098 ppm2 3.084 CV 1 ASSI { 1559} ( segid " A" and resid 166 and name HB% ) (( segid " A" and resid 112 and name HB2 )) 6.000 4.500 0.000 peak 1559 spectrum 1 weight 0.10000E+01 volume 0.18291E-02 ppm1 1.438 ppm2 3.066 CV 1 OR { 1559} ( segid " A" and resid 109 and name HB% ) (( segid " A" and resid 112 and name HB2 )) OR { 1559} ( segid " A" and resid 109 and name HB% ) (( segid " A" and resid 113 and name HD2 )) OR { 1559} ( segid " A" and resid 260 and name HB% ) (( segid " A" and resid 259 and name HE2 )) ASSI { 1560} ( segid " A" and resid 110 and name HG2%) (( segid " A" and resid 113 and name HD2 )) 6.000 4.500 0.000 peak 1560 spectrum 1 weight 0.10000E+01 volume 0.10241E-02 ppm1 0.836 ppm2 3.068 CV 1 ASSI { 1562} (( segid " A" and resid 260 and name HA )) (( segid " A" and resid 259 and name HE2 )) 6.000 4.500 0.000 peak 1562 spectrum 1 weight 0.10000E+01 volume 0.50159E-03 ppm1 3.908 ppm2 3.047 CV 1 OR { 1562} (( segid " A" and resid 260 and name HA )) (( segid " A" and resid 259 and name HE1 )) ASSI { 1563} (( segid " A" and resid 159 and name HG2 )) (( segid " A" and resid 112 and name HB2 )) 6.000 4.500 0.000 peak 1563 spectrum 1 weight 0.10000E+01 volume 0.56904E-03 ppm1 2.020 ppm2 3.062 CV 1 OR { 1563} (( segid " A" and resid 159 and name HG1 )) (( segid " A" and resid 112 and name HB2 )) ASSI { 1567} (( segid " A" and resid 205 and name HA )) (( segid " A" and resid 208 and name HB1 )) 6.000 4.500 0.000 peak 1567 spectrum 1 weight 0.10000E+01 volume 0.72709E-03 ppm1 3.864 ppm2 3.007 CV 1 ASSI { 1568} (( segid " A" and resid 244 and name HD2 )) (( segid " A" and resid 242 and name HD2 )) 6.000 4.500 0.000 peak 1568 spectrum 1 weight 0.10000E+01 volume 0.60309E-03 ppm1 4.085 ppm2 3.010 CV 1 OR { 1568} (( segid " A" and resid 244 and name HD2 )) (( segid " A" and resid 250 and name HE1 )) ASSI { 1569} (( segid " A" and resid 214 and name HA )) (( segid " A" and resid 252 and name HB2 )) 6.000 4.500 0.000 peak 1569 spectrum 1 weight 0.10000E+01 volume 0.59823E-03 ppm1 5.107 ppm2 3.008 CV 1 ASSI { 1571} ( segid " A" and resid 214 and name HB% ) (( segid " A" and resid 252 and name HB2 )) 6.000 4.500 0.000 peak 1571 spectrum 1 weight 0.10000E+01 volume 0.21512E-02 ppm1 1.272 ppm2 3.014 CV 1 ASSI { 1572} ( segid " A" and resid 228 and name HG2%) (( segid " A" and resid 224 and name HB1 )) 6.000 4.500 0.000 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.70449E-03 ppm1 0.477 ppm2 3.021 CV 1 ASSI { 1573} ( segid " A" and resid 225 and name HD1%) (( segid " A" and resid 224 and name HB1 )) 6.000 4.500 0.000 peak 1573 spectrum 1 weight 0.10000E+01 volume 0.96577E-03 ppm1 0.632 ppm2 3.006 CV 1 ASSI { 1574} (( segid " A" and resid 227 and name HB1 )) (( segid " A" and resid 224 and name HB1 )) 6.000 4.500 0.000 peak 1574 spectrum 1 weight 0.10000E+01 volume 0.13577E-02 ppm1 4.009 ppm2 2.984 CV 1 OR { 1574} (( segid " A" and resid 118 and name HB1 )) (( segid " A" and resid 181 and name HD2 )) OR { 1574} (( segid " A" and resid 118 and name HB1 )) (( segid " A" and resid 181 and name HD1 )) OR { 1574} (( segid " A" and resid 227 and name HB2 )) (( segid " A" and resid 224 and name HB1 )) ASSI { 1575} (( segid " A" and resid 263 and name HB1 )) (( segid " A" and resid 284 and name HE2 )) 6.000 4.500 0.000 peak 1575 spectrum 1 weight 0.10000E+01 volume 0.48083E-03 ppm1 3.814 ppm2 2.987 CV 1 OR { 1575} (( segid " A" and resid 263 and name HB1 )) (( segid " A" and resid 284 and name HE1 )) ASSI { 1576} (( segid " A" and resid 264 and name HA )) (( segid " A" and resid 284 and name HE2 )) 6.000 4.500 0.000 peak 1576 spectrum 1 weight 0.10000E+01 volume 0.65336E-03 ppm1 3.952 ppm2 2.989 CV 1 OR { 1576} (( segid " A" and resid 264 and name HA )) (( segid " A" and resid 284 and name HE1 )) OR { 1576} (( segid " A" and resid 118 and name HA )) (( segid " A" and resid 181 and name HD2 )) OR { 1576} (( segid " A" and resid 118 and name HA )) (( segid " A" and resid 181 and name HD1 )) ASSI { 1577} (( segid " A" and resid 264 and name HA )) (( segid " A" and resid 284 and name HE2 )) 6.000 4.500 0.000 peak 1577 spectrum 1 weight 0.10000E+01 volume 0.66525E-03 ppm1 3.919 ppm2 2.993 CV 1 OR { 1577} (( segid " A" and resid 264 and name HA )) (( segid " A" and resid 284 and name HE1 )) ASSI { 1579} (( segid " A" and resid 242 and name HA )) (( segid " A" and resid 242 and name HD1 )) 6.000 4.500 0.000 peak 1579 spectrum 1 weight 0.10000E+01 volume 0.19955E-02 ppm1 4.713 ppm2 2.984 CV 1 OR { 1579} (( segid " A" and resid 242 and name HA )) (( segid " A" and resid 250 and name HE1 )) ASSI { 1580} (( segid " A" and resid 220 and name HA )) (( segid " A" and resid 224 and name HB1 )) 6.000 4.500 0.000 peak 1580 spectrum 1 weight 0.10000E+01 volume 0.26020E-02 ppm1 4.616 ppm2 3.000 CV 1 ASSI { 1582} (( segid " A" and resid 190 and name HB1 )) (( segid " A" and resid 190 and name HB2 )) 6.000 4.500 0.000 peak 1582 spectrum 1 weight 0.10000E+01 volume 0.71476E-02 ppm1 2.728 ppm2 2.981 CV 1 ASSI { 1583} (( segid " A" and resid 250 and name HB2 )) (( segid " A" and resid 250 and name HE1 )) 6.000 4.500 0.000 peak 1583 spectrum 1 weight 0.10000E+01 volume 0.23988E-02 ppm1 2.414 ppm2 2.977 CV 1 OR { 1583} (( segid " A" and resid 193 and name HG1 )) (( segid " A" and resid 190 and name HB2 )) OR { 1583} (( segid " A" and resid 193 and name HG2 )) (( segid " A" and resid 190 and name HB2 )) ASSI { 1584} (( segid " A" and resid 264 and name HG1 )) (( segid " A" and resid 284 and name HE2 )) 6.000 4.500 0.000 peak 1584 spectrum 1 weight 0.10000E+01 volume 0.18258E-02 ppm1 2.360 ppm2 2.984 CV 1 OR { 1584} (( segid " A" and resid 264 and name HG1 )) (( segid " A" and resid 284 and name HE1 )) OR { 1584} (( segid " A" and resid 264 and name HG2 )) (( segid " A" and resid 284 and name HE2 )) OR { 1584} (( segid " A" and resid 264 and name HG2 )) (( segid " A" and resid 284 and name HE1 )) ASSI { 1585} (( segid " A" and resid 284 and name HB2 )) (( segid " A" and resid 284 and name HE1 )) 6.000 4.500 0.000 peak 1585 spectrum 1 weight 0.10000E+01 volume 0.94913E-03 ppm1 1.981 ppm2 2.984 CV 1 OR { 1585} (( segid " A" and resid 284 and name HB2 )) (( segid " A" and resid 284 and name HE2 )) ASSI { 1588} (( segid " A" and resid 137 and name HG2 )) (( segid " A" and resid 250 and name HE1 )) 6.000 4.500 0.000 peak 1588 spectrum 1 weight 0.10000E+01 volume 0.89486E-03 ppm1 2.204 ppm2 2.980 CV 1 ASSI { 1589} (( segid " A" and resid 181 and name HG2 )) (( segid " A" and resid 181 and name HD2 )) 6.000 4.500 0.000 peak 1589 spectrum 1 weight 0.10000E+01 volume 0.87929E-02 ppm1 1.536 ppm2 3.000 CV 1 OR { 1589} (( segid " A" and resid 181 and name HG1 )) (( segid " A" and resid 181 and name HD1 )) OR { 1589} (( segid " A" and resid 181 and name HG2 )) (( segid " A" and resid 181 and name HD1 )) ASSI { 1590} (( segid " A" and resid 284 and name HG2 )) (( segid " A" and resid 284 and name HE1 )) 6.000 4.500 0.000 peak 1590 spectrum 1 weight 0.10000E+01 volume 0.41911E-02 ppm1 1.533 ppm2 2.986 CV 1 OR { 1590} (( segid " A" and resid 284 and name HG1 )) (( segid " A" and resid 284 and name HE2 )) OR { 1590} (( segid " A" and resid 284 and name HG2 )) (( segid " A" and resid 284 and name HE2 )) OR { 1590} (( segid " A" and resid 284 and name HG1 )) (( segid " A" and resid 284 and name HE1 )) ASSI { 1592} ( segid " A" and resid 240 and name HD1%) (( segid " A" and resid 252 and name HB2 )) 6.000 4.500 0.000 peak 1592 spectrum 1 weight 0.10000E+01 volume 0.55099E-03 ppm1 -0.083 ppm2 2.996 CV 1 OR { 1592} ( segid " A" and resid 240 and name HD1%) (( segid " A" and resid 224 and name HB1 )) OR { 1592} ( segid " A" and resid 240 and name HD1%) (( segid " A" and resid 242 and name HD2 )) ASSI { 1593} ( segid " A" and resid 220 and name HD1%) (( segid " A" and resid 224 and name HB1 )) 6.000 4.500 0.000 peak 1593 spectrum 1 weight 0.10000E+01 volume 0.26409E-02 ppm1 0.693 ppm2 3.000 CV 1 ASSI { 1594} ( segid " A" and resid 123 and name HD1%) (( segid " A" and resid 181 and name HD2 )) 6.000 4.500 0.000 peak 1594 spectrum 1 weight 0.10000E+01 volume 0.14442E-02 ppm1 0.926 ppm2 2.992 CV 1 OR { 1594} ( segid " A" and resid 123 and name HD1%) (( segid " A" and resid 181 and name HD1 )) OR { 1594} ( segid " A" and resid 114 and name HG2%) (( segid " A" and resid 184 and name HE2 )) ASSI { 1596} ( segid " A" and resid 286 and name HG1%) (( segid " A" and resid 284 and name HE1 )) 6.000 4.500 0.000 peak 1596 spectrum 1 weight 0.10000E+01 volume 0.12853E-02 ppm1 0.782 ppm2 2.987 CV 1 OR { 1596} ( segid " A" and resid 286 and name HG1%) (( segid " A" and resid 284 and name HE2 )) ASSI { 1597} ( segid " A" and resid 216 and name HG2%) (( segid " A" and resid 252 and name HB2 )) 6.000 4.500 0.000 peak 1597 spectrum 1 weight 0.10000E+01 volume 0.10283E-02 ppm1 0.373 ppm2 2.987 CV 1 OR { 1597} ( segid " A" and resid 213 and name HG1%) (( segid " A" and resid 252 and name HB2 )) ASSI { 1598} ( segid " A" and resid 240 and name HD2%) (( segid " A" and resid 252 and name HB2 )) 6.000 4.500 0.000 peak 1598 spectrum 1 weight 0.10000E+01 volume 0.68093E-03 ppm1 0.083 ppm2 2.998 CV 1 OR { 1598} ( segid " A" and resid 240 and name HD2%) (( segid " A" and resid 224 and name HB1 )) OR { 1598} ( segid " A" and resid 240 and name HD2%) (( segid " A" and resid 242 and name HD2 )) ASSI { 1600} ( segid " A" and resid 213 and name HG2%) (( segid " A" and resid 273 and name HB2 )) 6.000 4.500 0.000 peak 1600 spectrum 1 weight 0.10000E+01 volume 0.11534E-02 ppm1 0.404 ppm2 2.990 CV 1 OR { 1600} ( segid " A" and resid 213 and name HG2%) (( segid " A" and resid 252 and name HB2 )) ASSI { 1601} ( segid " A" and resid 183 and name HG2%) (( segid " A" and resid 181 and name HD2 )) 6.000 4.500 0.000 peak 1601 spectrum 1 weight 0.10000E+01 volume 0.14583E-02 ppm1 0.952 ppm2 2.987 CV 1 OR { 1601} ( segid " A" and resid 183 and name HG2%) (( segid " A" and resid 181 and name HD1 )) OR { 1601} ( segid " A" and resid 211 and name HG2%) (( segid " A" and resid 284 and name HE2 )) OR { 1601} ( segid " A" and resid 211 and name HG2%) (( segid " A" and resid 284 and name HE1 )) ASSI { 1602} ( segid " A" and resid 177 and name HE% ) (( segid " A" and resid 181 and name HD1 )) 6.000 4.500 0.000 peak 1602 spectrum 1 weight 0.10000E+01 volume 0.83713E-03 ppm1 1.916 ppm2 3.002 CV 1 OR { 1602} ( segid " A" and resid 177 and name HE% ) (( segid " A" and resid 181 and name HD2 )) ASSI { 1603} ( segid " A" and resid 110 and name HD1%) (( segid " A" and resid 190 and name HB2 )) 6.000 4.500 0.000 peak 1603 spectrum 1 weight 0.10000E+01 volume 0.14302E-02 ppm1 0.729 ppm2 2.983 CV 1 ASSI { 1604} (( segid " A" and resid 263 and name HB1 )) (( segid " A" and resid 284 and name HE2 )) 6.000 4.500 0.000 peak 1604 spectrum 1 weight 0.10000E+01 volume 0.47381E-03 ppm1 3.805 ppm2 2.967 CV 1 OR { 1604} (( segid " A" and resid 263 and name HB1 )) (( segid " A" and resid 284 and name HE1 )) ASSI { 1606} (( segid " A" and resid 139 and name HA )) (( segid " A" and resid 139 and name HE2 )) 6.000 4.500 0.000 peak 1606 spectrum 1 weight 0.10000E+01 volume 0.20042E-02 ppm1 4.293 ppm2 2.957 CV 1 OR { 1606} (( segid " A" and resid 236 and name HA )) (( segid " A" and resid 236 and name HE2 )) OR { 1606} (( segid " A" and resid 139 and name HA )) (( segid " A" and resid 139 and name HE1 )) OR { 1606} (( segid " A" and resid 236 and name HA )) (( segid " A" and resid 236 and name HE1 )) ASSI { 1607} (( segid " A" and resid 249 and name HA )) (( segid " A" and resid 242 and name HD1 )) 6.000 4.500 0.000 peak 1607 spectrum 1 weight 0.10000E+01 volume 0.90048E-03 ppm1 5.382 ppm2 2.960 CV 1 OR { 1607} (( segid " A" and resid 249 and name HA )) (( segid " A" and resid 250 and name HE2 )) ASSI { 1609} (( segid " A" and resid 270 and name HA )) (( segid " A" and resid 273 and name HB2 )) 6.000 4.500 0.000 peak 1609 spectrum 1 weight 0.10000E+01 volume 0.14302E-02 ppm1 4.960 ppm2 2.956 CV 1 ASSI { 1610} (( segid " A" and resid 243 and name HA )) (( segid " A" and resid 250 and name HE2 )) 6.000 4.500 0.000 peak 1610 spectrum 1 weight 0.10000E+01 volume 0.12259E-02 ppm1 4.916 ppm2 2.969 CV 1 ASSI { 1611} (( segid " A" and resid 185 and name HB )) (( segid " A" and resid 174 and name HB2 )) 6.000 4.500 0.000 peak 1611 spectrum 1 weight 0.10000E+01 volume 0.27674E-02 ppm1 1.878 ppm2 2.957 CV 1 ASSI { 1612} (( segid " A" and resid 236 and name HB2 )) (( segid " A" and resid 236 and name HE1 )) 6.000 4.500 0.000 peak 1612 spectrum 1 weight 0.10000E+01 volume 0.23674E-02 ppm1 1.498 ppm2 2.959 CV 1 OR { 1612} (( segid " A" and resid 236 and name HB2 )) (( segid " A" and resid 236 and name HE2 )) ASSI { 1613} (( segid " A" and resid 236 and name HB1 )) (( segid " A" and resid 236 and name HE1 )) 6.000 4.500 0.000 peak 1613 spectrum 1 weight 0.10000E+01 volume 0.24917E-02 ppm1 1.688 ppm2 2.957 CV 1 OR { 1613} (( segid " A" and resid 236 and name HB1 )) (( segid " A" and resid 236 and name HE2 )) ASSI { 1614} (( segid " A" and resid 242 and name HB1 )) (( segid " A" and resid 242 and name HD1 )) 6.000 4.500 0.000 peak 1614 spectrum 1 weight 0.10000E+01 volume 0.19037E-02 ppm1 1.628 ppm2 2.974 CV 1 ASSI { 1615} (( segid " A" and resid 258 and name HB2 )) (( segid " A" and resid 236 and name HE1 )) 6.000 4.500 0.000 peak 1615 spectrum 1 weight 0.10000E+01 volume 0.99496E-03 ppm1 1.951 ppm2 2.971 CV 1 OR { 1615} (( segid " A" and resid 258 and name HB2 )) (( segid " A" and resid 236 and name HE2 )) ASSI { 1616} (( segid " A" and resid 137 and name HG1 )) (( segid " A" and resid 250 and name HE2 )) 6.000 4.500 0.000 peak 1616 spectrum 1 weight 0.10000E+01 volume 0.67401E-03 ppm1 2.280 ppm2 2.959 CV 1 ASSI { 1617} (( segid " A" and resid 242 and name HG2 )) (( segid " A" and resid 242 and name HD1 )) 6.000 4.500 0.000 peak 1617 spectrum 1 weight 0.10000E+01 volume 0.26063E-02 ppm1 1.329 ppm2 2.970 CV 1 ASSI { 1618} ( segid " A" and resid 280 and name HD1%) (( segid " A" and resid 273 and name HB2 )) 6.000 4.500 0.000 peak 1618 spectrum 1 weight 0.10000E+01 volume 0.16777E-02 ppm1 1.052 ppm2 2.964 CV 1 ASSI { 1619} (( segid " A" and resid 236 and name HG1 )) (( segid " A" and resid 236 and name HE2 )) 6.000 4.500 0.000 peak 1619 spectrum 1 weight 0.10000E+01 volume 0.12518E-01 ppm1 1.351 ppm2 2.957 CV 1 OR { 1619} (( segid " A" and resid 248 and name HG1 )) (( segid " A" and resid 248 and name HE2 )) OR { 1619} (( segid " A" and resid 236 and name HG2 )) (( segid " A" and resid 236 and name HE2 )) OR { 1619} (( segid " A" and resid 236 and name HG1 )) (( segid " A" and resid 236 and name HE1 )) OR { 1619} (( segid " A" and resid 248 and name HG2 )) (( segid " A" and resid 248 and name HE1 )) OR { 1619} (( segid " A" and resid 248 and name HG2 )) (( segid " A" and resid 248 and name HE2 )) OR { 1619} (( segid " A" and resid 139 and name HG2 )) (( segid " A" and resid 139 and name HE2 )) OR { 1619} (( segid " A" and resid 248 and name HG1 )) (( segid " A" and resid 248 and name HE1 )) ASSI { 1620} ( segid " A" and resid 170 and name HD1%) (( segid " A" and resid 174 and name HB2 )) 6.000 4.500 0.000 peak 1620 spectrum 1 weight 0.10000E+01 volume 0.23988E-02 ppm1 0.803 ppm2 2.964 CV 1 ASSI { 1621} ( segid " A" and resid 275 and name HD1%) (( segid " A" and resid 273 and name HB2 )) 6.000 4.500 0.000 peak 1621 spectrum 1 weight 0.10000E+01 volume 0.75854E-03 ppm1 1.043 ppm2 2.970 CV 1 ASSI { 1622} ( segid " A" and resid 280 and name HD2%) (( segid " A" and resid 273 and name HB2 )) 6.000 4.500 0.000 peak 1622 spectrum 1 weight 0.10000E+01 volume 0.10102E-02 ppm1 0.868 ppm2 2.968 CV 1 ASSI { 1623} ( segid " A" and resid 185 and name HG1%) (( segid " A" and resid 174 and name HB2 )) 6.000 4.500 0.000 peak 1623 spectrum 1 weight 0.10000E+01 volume 0.50461E-02 ppm1 0.987 ppm2 2.952 CV 1 OR { 1623} ( segid " A" and resid 228 and name HG1%) (( segid " A" and resid 273 and name HB2 )) ASSI { 1624} ( segid " A" and resid 267 and name HG1%) (( segid " A" and resid 284 and name HE2 )) 6.000 4.500 0.000 peak 1624 spectrum 1 weight 0.10000E+01 volume 0.32657E-02 ppm1 0.962 ppm2 2.975 CV 1 OR { 1624} ( segid " A" and resid 267 and name HG1%) (( segid " A" and resid 284 and name HE1 )) ASSI { 1625} ( segid " A" and resid 241 and name HB% ) (( segid " A" and resid 242 and name HD1 )) 6.000 4.500 0.000 peak 1625 spectrum 1 weight 0.10000E+01 volume 0.29003E-02 ppm1 0.778 ppm2 2.975 CV 1 ASSI { 1626} ( segid " A" and resid 270 and name HE% ) (( segid " A" and resid 273 and name HB2 )) 6.000 4.500 0.000 peak 1626 spectrum 1 weight 0.10000E+01 volume 0.18291E-02 ppm1 0.183 ppm2 2.961 CV 1 ASSI { 1627} ( segid " A" and resid 119 and name HD1%) (( segid " A" and resid 155 and name HB1 )) 6.000 4.500 0.000 peak 1627 spectrum 1 weight 0.10000E+01 volume 0.49262E-03 ppm1 0.232 ppm2 2.966 CV 1 ASSI { 1628} (( segid " A" and resid 246 and name HB )) (( segid " A" and resid 248 and name HE2 )) 6.000 4.500 0.000 peak 1628 spectrum 1 weight 0.10000E+01 volume 0.83130E-03 ppm1 4.268 ppm2 2.933 CV 1 OR { 1628} (( segid " A" and resid 246 and name HB )) (( segid " A" and resid 248 and name HE1 )) ASSI { 1629} (( segid " A" and resid 140 and name HB1 )) (( segid " A" and resid 139 and name HE2 )) 6.000 4.500 0.000 peak 1629 spectrum 1 weight 0.10000E+01 volume 0.58710E-03 ppm1 3.740 ppm2 2.935 CV 1 OR { 1629} (( segid " A" and resid 140 and name HB1 )) (( segid " A" and resid 139 and name HE1 )) ASSI { 1630} (( segid " A" and resid 288 and name HA )) (( segid " A" and resid 208 and name HB2 )) 6.000 4.500 0.000 peak 1630 spectrum 1 weight 0.10000E+01 volume 0.50234E-03 ppm1 4.355 ppm2 2.928 CV 1 ASSI { 1631} (( segid " A" and resid 161 and name HA )) (( segid " A" and resid 139 and name HE1 )) 6.000 4.500 0.000 peak 1631 spectrum 1 weight 0.10000E+01 volume 0.10394E-02 ppm1 4.200 ppm2 2.930 CV 1 OR { 1631} (( segid " A" and resid 161 and name HA )) (( segid " A" and resid 139 and name HE2 )) ASSI { 1633} (( segid " A" and resid 152 and name HA )) (( segid " A" and resid 152 and name HB2 )) 6.000 4.500 0.000 peak 1633 spectrum 1 weight 0.10000E+01 volume 0.14486E-02 ppm1 5.002 ppm2 2.933 CV 1 OR { 1633} (( segid " A" and resid 152 and name HA )) (( segid " A" and resid 152 and name HB1 )) ASSI { 1634} (( segid " A" and resid 139 and name HB1 )) (( segid " A" and resid 139 and name HE2 )) 6.000 4.500 0.000 peak 1634 spectrum 1 weight 0.10000E+01 volume 0.12572E-02 ppm1 1.417 ppm2 2.935 CV 1 OR { 1634} (( segid " A" and resid 139 and name HB1 )) (( segid " A" and resid 139 and name HE1 )) ASSI { 1636} (( segid " A" and resid 161 and name HB2 )) (( segid " A" and resid 139 and name HE1 )) 6.000 4.500 0.000 peak 1636 spectrum 1 weight 0.10000E+01 volume 0.76546E-03 ppm1 2.221 ppm2 2.944 CV 1 OR { 1636} (( segid " A" and resid 161 and name HB2 )) (( segid " A" and resid 139 and name HE2 )) ASSI { 1637} (( segid " A" and resid 137 and name HB2 )) (( segid " A" and resid 250 and name HE2 )) 6.000 4.500 0.000 peak 1637 spectrum 1 weight 0.10000E+01 volume 0.73109E-03 ppm1 2.045 ppm2 2.935 CV 1 OR { 1637} (( segid " A" and resid 270 and name HB2 )) (( segid " A" and resid 271 and name HB2 )) OR { 1637} (( segid " A" and resid 159 and name HB2 )) (( segid " A" and resid 157 and name HB1 )) ASSI { 1638} (( segid " A" and resid 248 and name HD1 )) (( segid " A" and resid 248 and name HE1 )) 6.000 4.500 0.000 peak 1638 spectrum 1 weight 0.10000E+01 volume 0.19750E-01 ppm1 1.594 ppm2 2.933 CV 1 OR { 1638} (( segid " A" and resid 248 and name HD2 )) (( segid " A" and resid 248 and name HE2 )) OR { 1638} (( segid " A" and resid 248 and name HD1 )) (( segid " A" and resid 248 and name HE2 )) ASSI { 1639} ( segid " A" and resid 246 and name HG2%) (( segid " A" and resid 248 and name HE2 )) 6.000 4.500 0.000 peak 1639 spectrum 1 weight 0.10000E+01 volume 0.29630E-02 ppm1 1.180 ppm2 2.934 CV 1 OR { 1639} ( segid " A" and resid 246 and name HG2%) (( segid " A" and resid 248 and name HE1 )) ASSI { 1640} ( segid " A" and resid 285 and name HB% ) (( segid " A" and resid 208 and name HB2 )) 6.000 4.500 0.000 peak 1640 spectrum 1 weight 0.10000E+01 volume 0.32863E-02 ppm1 1.514 ppm2 2.941 CV 1 ASSI { 1641} ( segid " A" and resid 205 and name HB% ) (( segid " A" and resid 208 and name HB2 )) 6.000 4.500 0.000 peak 1641 spectrum 1 weight 0.10000E+01 volume 0.18507E-02 ppm1 1.145 ppm2 2.936 CV 1 OR { 1641} ( segid " A" and resid 207 and name HB% ) (( segid " A" and resid 208 and name HB2 )) ASSI { 1642} ( segid " A" and resid 109 and name HB% ) (( segid " A" and resid 113 and name HD1 )) 6.000 4.500 0.000 peak 1642 spectrum 1 weight 0.10000E+01 volume 0.10061E-02 ppm1 1.434 ppm2 2.928 CV 1 ASSI { 1643} (( segid " A" and resid 271 and name HA )) (( segid " A" and resid 271 and name HB2 )) 6.000 4.500 0.000 peak 1643 spectrum 1 weight 0.10000E+01 volume 0.41240E-02 ppm1 4.469 ppm2 2.914 CV 1 ASSI { 1646} (( segid " A" and resid 159 and name HG2 )) (( segid " A" and resid 113 and name HD1 )) 6.000 4.500 0.000 peak 1646 spectrum 1 weight 0.10000E+01 volume 0.72611E-03 ppm1 2.014 ppm2 2.913 CV 1 OR { 1646} (( segid " A" and resid 159 and name HG1 )) (( segid " A" and resid 113 and name HD1 )) OR { 1646} (( segid " A" and resid 159 and name HG2 )) (( segid " A" and resid 157 and name HB1 )) OR { 1646} (( segid " A" and resid 159 and name HG1 )) (( segid " A" and resid 139 and name HE2 )) OR { 1646} (( segid " A" and resid 159 and name HG1 )) (( segid " A" and resid 139 and name HE1 )) ASSI { 1647} (( segid " A" and resid 282 and name HB )) (( segid " A" and resid 271 and name HB2 )) 6.000 4.500 0.000 peak 1647 spectrum 1 weight 0.10000E+01 volume 0.12226E-02 ppm1 1.777 ppm2 2.897 CV 1 ASSI { 1648} (( segid " A" and resid 210 and name HG1 )) (( segid " A" and resid 208 and name HB2 )) 6.000 4.500 0.000 peak 1648 spectrum 1 weight 0.10000E+01 volume 0.10728E-02 ppm1 1.468 ppm2 2.921 CV 1 ASSI { 1649} (( segid " A" and resid 113 and name HG1 )) (( segid " A" and resid 113 and name HD1 )) 6.000 4.500 0.000 peak 1649 spectrum 1 weight 0.10000E+01 volume 0.18237E-02 ppm1 1.391 ppm2 2.903 CV 1 ASSI { 1650} ( segid " A" and resid 110 and name HG2%) (( segid " A" and resid 113 and name HD1 )) 6.000 4.500 0.000 peak 1650 spectrum 1 weight 0.10000E+01 volume 0.97550E-03 ppm1 0.838 ppm2 2.916 CV 1 ASSI { 1651} ( segid " A" and resid 143 and name HE% ) (( segid " A" and resid 152 and name HB2 )) 6.000 4.500 0.000 peak 1651 spectrum 1 weight 0.10000E+01 volume 0.12713E-02 ppm1 1.273 ppm2 2.908 CV 1 OR { 1651} ( segid " A" and resid 143 and name HE% ) (( segid " A" and resid 152 and name HB1 )) ASSI { 1652} ( segid " A" and resid 110 and name HD1%) (( segid " A" and resid 113 and name HD1 )) 6.000 4.500 0.000 peak 1652 spectrum 1 weight 0.10000E+01 volume 0.14680E-02 ppm1 0.736 ppm2 2.918 CV 1 OR { 1652} ( segid " A" and resid 141 and name HD1%) (( segid " A" and resid 157 and name HB1 )) OR { 1652} ( segid " A" and resid 138 and name HD1%) (( segid " A" and resid 157 and name HB1 )) OR { 1652} ( segid " A" and resid 138 and name HD1%) (( segid " A" and resid 139 and name HE2 )) OR { 1652} ( segid " A" and resid 138 and name HD1%) (( segid " A" and resid 139 and name HE1 )) OR { 1652} ( segid " A" and resid 141 and name HD1%) (( segid " A" and resid 139 and name HE2 )) ASSI { 1654} ( segid " A" and resid 173 and name HE% ) (( segid " A" and resid 132 and name HB1 )) 6.000 4.500 0.000 peak 1654 spectrum 1 weight 0.10000E+01 volume 0.64655E-03 ppm1 1.384 ppm2 2.867 CV 1 ASSI { 1658} (( segid " A" and resid 226 and name HD2 )) (( segid " A" and resid 226 and name HE1 )) 6.000 4.500 0.000 peak 1658 spectrum 1 weight 0.10000E+01 volume 0.82481E-02 ppm1 1.640 ppm2 2.841 CV 1 OR { 1658} (( segid " A" and resid 226 and name HD1 )) (( segid " A" and resid 226 and name HE2 )) OR { 1658} (( segid " A" and resid 226 and name HD2 )) (( segid " A" and resid 226 and name HE2 )) ASSI { 1659} ( segid " A" and resid 114 and name HG1%) (( segid " A" and resid 132 and name HB1 )) 6.000 4.500 0.000 peak 1659 spectrum 1 weight 0.10000E+01 volume 0.10961E-02 ppm1 0.883 ppm2 2.843 CV 1 ASSI { 1660} ( segid " A" and resid 158 and name HG1%) (( segid " A" and resid 132 and name HB1 )) 6.000 4.500 0.000 peak 1660 spectrum 1 weight 0.10000E+01 volume 0.13210E-02 ppm1 0.130 ppm2 2.852 CV 1 ASSI { 1661} ( segid " A" and resid 158 and name HG2%) (( segid " A" and resid 132 and name HB1 )) 6.000 4.500 0.000 peak 1661 spectrum 1 weight 0.10000E+01 volume 0.99356E-03 ppm1 0.030 ppm2 2.847 CV 1 ASSI { 1662} ( segid " A" and resid 138 and name HD1%) (( segid " A" and resid 132 and name HB1 )) 6.000 4.500 0.000 peak 1662 spectrum 1 weight 0.10000E+01 volume 0.18874E-02 ppm1 0.762 ppm2 2.842 CV 1 ASSI { 1665} (( segid " A" and resid 235 and name HA )) (( segid " A" and resid 229 and name HB2 )) 6.000 4.500 0.000 peak 1665 spectrum 1 weight 0.10000E+01 volume 0.77530E-03 ppm1 4.057 ppm2 2.834 CV 1 OR { 1665} (( segid " A" and resid 235 and name HA )) (( segid " A" and resid 226 and name HE1 )) OR { 1665} (( segid " A" and resid 235 and name HA )) (( segid " A" and resid 262 and name HB2 )) OR { 1665} (( segid " A" and resid 158 and name HA )) (( segid " A" and resid 142 and name HB1 )) ASSI { 1667} (( segid " A" and resid 142 and name HB2 )) (( segid " A" and resid 142 and name HB1 )) 6.000 4.500 0.000 peak 1667 spectrum 1 weight 0.10000E+01 volume 0.95377E-02 ppm1 2.608 ppm2 2.815 CV 1 ASSI { 1668} (( segid " A" and resid 235 and name HB )) (( segid " A" and resid 226 and name HE1 )) 6.000 4.500 0.000 peak 1668 spectrum 1 weight 0.10000E+01 volume 0.11772E-02 ppm1 1.601 ppm2 2.839 CV 1 ASSI { 1669} (( segid " A" and resid 229 and name HB1 )) (( segid " A" and resid 229 and name HB2 )) 6.000 4.500 0.000 peak 1669 spectrum 1 weight 0.10000E+01 volume 0.73984E-03 ppm1 3.474 ppm2 2.821 CV 1 ASSI { 1670} (( segid " A" and resid 226 and name HB2 )) (( segid " A" and resid 226 and name HE2 )) 6.000 4.500 0.000 peak 1670 spectrum 1 weight 0.10000E+01 volume 0.92264E-03 ppm1 1.980 ppm2 2.826 CV 1 OR { 1670} (( segid " A" and resid 226 and name HB1 )) (( segid " A" and resid 226 and name HE1 )) OR { 1670} (( segid " A" and resid 226 and name HB1 )) (( segid " A" and resid 226 and name HE2 )) ASSI { 1671} (( segid " A" and resid 255 and name HG12)) (( segid " A" and resid 229 and name HB2 )) 6.000 4.500 0.000 peak 1671 spectrum 1 weight 0.10000E+01 volume 0.46137E-03 ppm1 0.568 ppm2 2.815 CV 1 ASSI { 1672} (( segid " A" and resid 226 and name HG1 )) (( segid " A" and resid 226 and name HE1 )) 6.000 4.500 0.000 peak 1672 spectrum 1 weight 0.10000E+01 volume 0.15091E-02 ppm1 1.192 ppm2 2.830 CV 1 OR { 1672} (( segid " A" and resid 226 and name HG1 )) (( segid " A" and resid 226 and name HE2 )) ASSI { 1674} ( segid " A" and resid 235 and name HG2%) (( segid " A" and resid 226 and name HE1 )) 6.000 4.500 0.000 peak 1674 spectrum 1 weight 0.10000E+01 volume 0.57380E-02 ppm1 0.573 ppm2 2.827 CV 1 OR { 1674} ( segid " A" and resid 235 and name HG2%) (( segid " A" and resid 238 and name HB2 )) ASSI { 1675} ( segid " A" and resid 235 and name HD1%) (( segid " A" and resid 229 and name HB2 )) 6.000 4.500 0.000 peak 1675 spectrum 1 weight 0.10000E+01 volume 0.39738E-02 ppm1 0.678 ppm2 2.821 CV 1 ASSI { 1677} (( segid " A" and resid 255 and name HA )) (( segid " A" and resid 238 and name HB2 )) 6.000 4.500 0.000 peak 1677 spectrum 1 weight 0.10000E+01 volume 0.56342E-03 ppm1 4.551 ppm2 2.805 CV 1 OR { 1677} (( segid " A" and resid 269 and name HA )) (( segid " A" and resid 271 and name HB1 )) ASSI { 1679} (( segid " A" and resid 271 and name HA )) (( segid " A" and resid 271 and name HB1 )) 6.000 4.500 0.000 peak 1679 spectrum 1 weight 0.10000E+01 volume 0.35522E-02 ppm1 4.462 ppm2 2.807 CV 1 ASSI { 1680} (( segid " A" and resid 121 and name HB1 )) (( segid " A" and resid 121 and name HB2 )) 6.000 4.500 0.000 peak 1680 spectrum 1 weight 0.10000E+01 volume 0.32701E-02 ppm1 2.629 ppm2 2.799 CV 1 ASSI { 1682} ( segid " A" and resid 220 and name HD2%) (( segid " A" and resid 217 and name HB1 )) 6.000 4.500 0.000 peak 1682 spectrum 1 weight 0.10000E+01 volume 0.24009E-02 ppm1 0.903 ppm2 2.787 CV 1 ASSI { 1683} (( segid " A" and resid 238 and name HB1 )) (( segid " A" and resid 238 and name HB2 )) 6.000 4.500 0.000 peak 1683 spectrum 1 weight 0.10000E+01 volume 0.16053E-02 ppm1 2.326 ppm2 2.808 CV 1 ASSI { 1684} ( segid " A" and resid 220 and name HD1%) (( segid " A" and resid 217 and name HB1 )) 6.000 4.500 0.000 peak 1684 spectrum 1 weight 0.10000E+01 volume 0.14507E-02 ppm1 0.692 ppm2 2.789 CV 1 ASSI { 1685} ( segid " A" and resid 240 and name HD2%) (( segid " A" and resid 252 and name HB1 )) 6.000 4.500 0.000 peak 1685 spectrum 1 weight 0.10000E+01 volume 0.85097E-03 ppm1 0.084 ppm2 2.785 CV 1 OR { 1685} ( segid " A" and resid 240 and name HD2%) (( segid " A" and resid 238 and name HB2 )) ASSI { 1686} ( segid " A" and resid 255 and name HG2%) (( segid " A" and resid 229 and name HB2 )) 6.000 4.500 0.000 peak 1686 spectrum 1 weight 0.10000E+01 volume 0.23707E-02 ppm1 0.219 ppm2 2.803 CV 1 ASSI { 1687} ( segid " A" and resid 255 and name HD1%) (( segid " A" and resid 229 and name HB2 )) 6.000 4.500 0.000 peak 1687 spectrum 1 weight 0.10000E+01 volume 0.27674E-02 ppm1 -0.126 ppm2 2.803 CV 1 ASSI { 1688} ( segid " A" and resid 225 and name HD1%) (( segid " A" and resid 217 and name HB1 )) 6.000 4.500 0.000 peak 1688 spectrum 1 weight 0.10000E+01 volume 0.71530E-03 ppm1 0.636 ppm2 2.790 CV 1 ASSI { 1690} (( segid " A" and resid 257 and name HA )) (( segid " A" and resid 257 and name HB1 )) 6.000 4.500 0.000 peak 1690 spectrum 1 weight 0.10000E+01 volume 0.74579E-03 ppm1 4.843 ppm2 2.758 CV 1 ASSI { 1691} (( segid " A" and resid 160 and name HA )) (( segid " A" and resid 160 and name HB2 )) 6.000 4.500 0.000 peak 1691 spectrum 1 weight 0.10000E+01 volume 0.80665E-03 ppm1 5.103 ppm2 2.765 CV 1 ASSI { 1693} (( segid " A" and resid 252 and name HA )) (( segid " A" and resid 252 and name HB1 )) 6.000 4.500 0.000 peak 1693 spectrum 1 weight 0.10000E+01 volume 0.67898E-03 ppm1 5.597 ppm2 2.769 CV 1 ASSI { 1694} (( segid " A" and resid 214 and name HA )) (( segid " A" and resid 252 and name HB1 )) 6.000 4.500 0.000 peak 1694 spectrum 1 weight 0.10000E+01 volume 0.73109E-03 ppm1 5.106 ppm2 2.758 CV 1 ASSI { 1695} (( segid " A" and resid 172 and name HG1 )) (( segid " A" and resid 172 and name HG2 )) 6.000 4.500 0.000 peak 1695 spectrum 1 weight 0.10000E+01 volume 0.36798E-02 ppm1 2.406 ppm2 2.759 CV 1 ASSI { 1697} (( segid " A" and resid 172 and name HB1 )) (( segid " A" and resid 172 and name HG2 )) 6.000 4.500 0.000 peak 1697 spectrum 1 weight 0.10000E+01 volume 0.95042E-03 ppm1 2.368 ppm2 2.767 CV 1 ASSI { 1698} ( segid " A" and resid 168 and name HD2%) (( segid " A" and resid 172 and name HG2 )) 6.000 4.500 0.000 peak 1698 spectrum 1 weight 0.10000E+01 volume 0.12032E-02 ppm1 1.014 ppm2 2.759 CV 1 ASSI { 1699} ( segid " A" and resid 170 and name HD1%) (( segid " A" and resid 172 and name HG2 )) 6.000 4.500 0.000 peak 1699 spectrum 1 weight 0.10000E+01 volume 0.29674E-02 ppm1 0.803 ppm2 2.769 CV 1 OR { 1699} ( segid " A" and resid 178 and name HD1%) (( segid " A" and resid 120 and name HB1 )) OR { 1699} ( segid " A" and resid 272 and name HD1%) (( segid " A" and resid 172 and name HG2 )) ASSI { 1700} ( segid " A" and resid 168 and name HD1%) (( segid " A" and resid 172 and name HG2 )) 6.000 4.500 0.000 peak 1700 spectrum 1 weight 0.10000E+01 volume 0.16529E-02 ppm1 0.894 ppm2 2.765 CV 1 ASSI { 1701} ( segid " A" and resid 162 and name HG1%) (( segid " A" and resid 160 and name HB2 )) 6.000 4.500 0.000 peak 1701 spectrum 1 weight 0.10000E+01 volume 0.11783E-02 ppm1 1.056 ppm2 2.759 CV 1 OR { 1701} ( segid " A" and resid 162 and name HG1%) (( segid " A" and resid 252 and name HB1 )) ASSI { 1703} ( segid " A" and resid 213 and name HG1%) (( segid " A" and resid 252 and name HB1 )) 6.000 4.500 0.000 peak 1703 spectrum 1 weight 0.10000E+01 volume 0.14075E-02 ppm1 0.343 ppm2 2.765 CV 1 OR { 1703} ( segid " A" and resid 213 and name HG1%) (( segid " A" and resid 254 and name HB2 )) ASSI { 1704} ( segid " A" and resid 213 and name HG2%) (( segid " A" and resid 252 and name HB1 )) 6.000 4.500 0.000 peak 1704 spectrum 1 weight 0.10000E+01 volume 0.13426E-02 ppm1 0.404 ppm2 2.774 CV 1 OR { 1704} ( segid " A" and resid 213 and name HG2%) (( segid " A" and resid 254 and name HB2 )) ASSI { 1705} ( segid " A" and resid 166 and name HB% ) (( segid " A" and resid 160 and name HB2 )) 6.000 4.500 0.000 peak 1705 spectrum 1 weight 0.10000E+01 volume 0.14302E-02 ppm1 1.461 ppm2 2.764 CV 1 ASSI { 1706} ( segid " A" and resid 119 and name HD1%) (( segid " A" and resid 155 and name HB2 )) 6.000 4.500 0.000 peak 1706 spectrum 1 weight 0.10000E+01 volume 0.61899E-03 ppm1 0.238 ppm2 2.762 CV 1 OR { 1706} ( segid " A" and resid 119 and name HD1%) (( segid " A" and resid 120 and name HB1 )) ASSI { 1707} (( segid " A" and resid 149 and name HB )) (( segid " A" and resid 151 and name HE1 )) 6.000 4.500 0.000 peak 1707 spectrum 1 weight 0.10000E+01 volume 0.10886E-02 ppm1 4.114 ppm2 2.735 CV 1 OR { 1707} (( segid " A" and resid 149 and name HB )) (( segid " A" and resid 151 and name HE2 )) ASSI { 1708} (( segid " A" and resid 263 and name HB2 )) (( segid " A" and resid 257 and name HB1 )) 6.000 4.500 0.000 peak 1708 spectrum 1 weight 0.10000E+01 volume 0.95745E-03 ppm1 3.750 ppm2 2.734 CV 1 OR { 1708} (( segid " A" and resid 138 and name HA )) (( segid " A" and resid 160 and name HB2 )) ASSI { 1709} (( segid " A" and resid 158 and name HA )) (( segid " A" and resid 157 and name HB2 )) 6.000 4.500 0.000 peak 1709 spectrum 1 weight 0.10000E+01 volume 0.78903E-03 ppm1 4.064 ppm2 2.743 CV 1 OR { 1709} (( segid " A" and resid 235 and name HA )) (( segid " A" and resid 257 and name HB1 )) ASSI { 1710} (( segid " A" and resid 262 and name HA )) (( segid " A" and resid 265 and name HB1 )) 6.000 4.500 0.000 peak 1710 spectrum 1 weight 0.10000E+01 volume 0.20431E-02 ppm1 4.004 ppm2 2.746 CV 1 OR { 1710} (( segid " A" and resid 262 and name HA )) (( segid " A" and resid 265 and name HB2 )) ASSI { 1714} (( segid " A" and resid 274 and name HA )) (( segid " A" and resid 279 and name HB2 )) 6.000 4.500 0.000 peak 1714 spectrum 1 weight 0.10000E+01 volume 0.66028E-03 ppm1 4.323 ppm2 2.740 CV 1 OR { 1714} (( segid " A" and resid 278 and name HA )) (( segid " A" and resid 279 and name HB2 )) ASSI { 1716} (( segid " A" and resid 151 and name HD1 )) (( segid " A" and resid 151 and name HE2 )) 6.000 4.500 0.000 peak 1716 spectrum 1 weight 0.10000E+01 volume 0.50699E-02 ppm1 1.377 ppm2 2.734 CV 1 OR { 1716} (( segid " A" and resid 151 and name HD1 )) (( segid " A" and resid 151 and name HE1 )) ASSI { 1717} (( segid " A" and resid 151 and name HD2 )) (( segid " A" and resid 151 and name HE1 )) 6.000 4.500 0.000 peak 1717 spectrum 1 weight 0.10000E+01 volume 0.39803E-02 ppm1 1.298 ppm2 2.734 CV 1 OR { 1717} (( segid " A" and resid 151 and name HD2 )) (( segid " A" and resid 151 and name HE2 )) ASSI { 1718} ( segid " A" and resid 123 and name HD2%) (( segid " A" and resid 120 and name HB1 )) 6.000 4.500 0.000 peak 1718 spectrum 1 weight 0.10000E+01 volume 0.24182E-02 ppm1 0.949 ppm2 2.747 CV 1 ASSI { 1719} (( segid " A" and resid 151 and name HG2 )) (( segid " A" and resid 151 and name HE1 )) 6.000 4.500 0.000 peak 1719 spectrum 1 weight 0.10000E+01 volume 0.25782E-02 ppm1 1.215 ppm2 2.736 CV 1 OR { 1719} (( segid " A" and resid 151 and name HG2 )) (( segid " A" and resid 151 and name HE2 )) OR { 1719} (( segid " A" and resid 151 and name HG1 )) (( segid " A" and resid 151 and name HE1 )) OR { 1719} (( segid " A" and resid 151 and name HG1 )) (( segid " A" and resid 151 and name HE2 )) ASSI { 1720} ( segid " A" and resid 123 and name HD1%) (( segid " A" and resid 120 and name HB1 )) 6.000 4.500 0.000 peak 1720 spectrum 1 weight 0.10000E+01 volume 0.21988E-02 ppm1 0.927 ppm2 2.751 CV 1 ASSI { 1721} ( segid " A" and resid 214 and name HB% ) (( segid " A" and resid 252 and name HB1 )) 6.000 4.500 0.000 peak 1721 spectrum 1 weight 0.10000E+01 volume 0.21955E-02 ppm1 1.271 ppm2 2.750 CV 1 ASSI { 1722} ( segid " A" and resid 272 and name HD2%) (( segid " A" and resid 279 and name HB2 )) 6.000 4.500 0.000 peak 1722 spectrum 1 weight 0.10000E+01 volume 0.50386E-02 ppm1 0.700 ppm2 2.736 CV 1 ASSI { 1723} ( segid " A" and resid 114 and name HG1%) (( segid " A" and resid 157 and name HB2 )) 6.000 4.500 0.000 peak 1723 spectrum 1 weight 0.10000E+01 volume 0.12832E-02 ppm1 0.882 ppm2 2.756 CV 1 OR { 1723} ( segid " A" and resid 114 and name HG1%) (( segid " A" and resid 160 and name HB2 )) ASSI { 1724} ( segid " A" and resid 165 and name HB% ) (( segid " A" and resid 160 and name HB2 )) 6.000 4.500 0.000 peak 1724 spectrum 1 weight 0.10000E+01 volume 0.17264E-02 ppm1 0.647 ppm2 2.756 CV 1 ASSI { 1725} ( segid " A" and resid 162 and name HG2%) (( segid " A" and resid 160 and name HB2 )) 6.000 4.500 0.000 peak 1725 spectrum 1 weight 0.10000E+01 volume 0.18647E-02 ppm1 0.778 ppm2 2.742 CV 1 ASSI { 1726} (( segid " A" and resid 263 and name HB1 )) (( segid " A" and resid 257 and name HB1 )) 6.000 4.500 0.000 peak 1726 spectrum 1 weight 0.10000E+01 volume 0.10477E-02 ppm1 3.799 ppm2 2.718 CV 1 ASSI { 1728} (( segid " A" and resid 232 and name HA )) (( segid " A" and resid 232 and name HB2 )) 6.000 4.500 0.000 peak 1728 spectrum 1 weight 0.10000E+01 volume 0.20291E-02 ppm1 4.248 ppm2 2.713 CV 1 ASSI { 1729} (( segid " A" and resid 265 and name HA )) (( segid " A" and resid 265 and name HB2 )) 6.000 4.500 0.000 peak 1729 spectrum 1 weight 0.10000E+01 volume 0.45024E-02 ppm1 4.243 ppm2 2.722 CV 1 ASSI { 1737} ( segid " A" and resid 149 and name HG2%) (( segid " A" and resid 151 and name HE1 )) 6.000 4.500 0.000 peak 1737 spectrum 1 weight 0.10000E+01 volume 0.17199E-02 ppm1 1.096 ppm2 2.728 CV 1 OR { 1737} ( segid " A" and resid 149 and name HG2%) (( segid " A" and resid 151 and name HE2 )) ASSI { 1738} ( segid " A" and resid 266 and name HB% ) (( segid " A" and resid 232 and name HB2 )) 6.000 4.500 0.000 peak 1738 spectrum 1 weight 0.10000E+01 volume 0.26214E-02 ppm1 1.250 ppm2 2.717 CV 1 ASSI { 1740} (( segid " A" and resid 239 and name HB )) (( segid " A" and resid 254 and name HB1 )) 6.000 4.500 0.000 peak 1740 spectrum 1 weight 0.10000E+01 volume 0.51132E-03 ppm1 3.923 ppm2 2.742 CV 1 ASSI { 1741} (( segid " A" and resid 196 and name HA )) (( segid " A" and resid 199 and name HB2 )) 6.000 4.500 0.000 peak 1741 spectrum 1 weight 0.10000E+01 volume 0.19264E-02 ppm1 4.430 ppm2 2.685 CV 1 ASSI { 1742} (( segid " A" and resid 205 and name HA )) (( segid " A" and resid 204 and name HG2 )) 6.000 4.500 0.000 peak 1742 spectrum 1 weight 0.10000E+01 volume 0.11891E-02 ppm1 3.871 ppm2 2.681 CV 1 ASSI { 1744} (( segid " A" and resid 260 and name HA )) (( segid " A" and resid 209 and name HB1 )) 6.000 4.500 0.000 peak 1744 spectrum 1 weight 0.10000E+01 volume 0.16464E-02 ppm1 3.913 ppm2 2.663 CV 1 ASSI { 1747} (( segid " A" and resid 171 and name HG1 )) (( segid " A" and resid 171 and name HG2 )) 6.000 4.500 0.000 peak 1747 spectrum 1 weight 0.10000E+01 volume 0.63671E-02 ppm1 2.239 ppm2 2.650 CV 1 ASSI { 1748} (( segid " A" and resid 171 and name HB2 )) (( segid " A" and resid 171 and name HG2 )) 6.000 4.500 0.000 peak 1748 spectrum 1 weight 0.10000E+01 volume 0.23015E-02 ppm1 2.046 ppm2 2.651 CV 1 ASSI { 1749} (( segid " A" and resid 171 and name HB1 )) (( segid " A" and resid 171 and name HG2 )) 6.000 4.500 0.000 peak 1749 spectrum 1 weight 0.10000E+01 volume 0.20647E-02 ppm1 2.160 ppm2 2.656 CV 1 ASSI { 1750} ( segid " A" and resid 170 and name HD1%) (( segid " A" and resid 171 and name HG2 )) 6.000 4.500 0.000 peak 1750 spectrum 1 weight 0.10000E+01 volume 0.28658E-02 ppm1 0.802 ppm2 2.674 CV 1 ASSI { 1751} ( segid " A" and resid 260 and name HB% ) (( segid " A" and resid 209 and name HB1 )) 6.000 4.500 0.000 peak 1751 spectrum 1 weight 0.10000E+01 volume 0.20064E-02 ppm1 1.417 ppm2 2.648 CV 1 ASSI { 1752} ( segid " A" and resid 207 and name HB% ) (( segid " A" and resid 204 and name HG2 )) 6.000 4.500 0.000 peak 1752 spectrum 1 weight 0.10000E+01 volume 0.12680E-02 ppm1 1.145 ppm2 2.661 CV 1 OR { 1752} ( segid " A" and resid 205 and name HB% ) (( segid " A" and resid 204 and name HG2 )) ASSI { 1753} ( segid " A" and resid 197 and name HD1%) (( segid " A" and resid 199 and name HB2 )) 6.000 4.500 0.000 peak 1753 spectrum 1 weight 0.10000E+01 volume 0.73887E-03 ppm1 0.788 ppm2 2.664 CV 1 OR { 1753} ( segid " A" and resid 197 and name HD1%) (( segid " A" and resid 199 and name HB1 )) ASSI { 1754} (( segid " A" and resid 239 and name HB )) (( segid " A" and resid 222 and name HB1 )) 6.000 4.500 0.000 peak 1754 spectrum 1 weight 0.10000E+01 volume 0.56839E-03 ppm1 3.931 ppm2 2.645 CV 1 ASSI { 1756} (( segid " A" and resid 239 and name HA )) (( segid " A" and resid 222 and name HB1 )) 6.000 4.500 0.000 peak 1756 spectrum 1 weight 0.10000E+01 volume 0.16194E-02 ppm1 4.863 ppm2 2.629 CV 1 ASSI { 1757} (( segid " A" and resid 135 and name HA )) (( segid " A" and resid 135 and name HB2 )) 6.000 4.500 0.000 peak 1757 spectrum 1 weight 0.10000E+01 volume 0.96437E-03 ppm1 3.886 ppm2 2.621 CV 1 ASSI { 1759} (( segid " A" and resid 206 and name HB1 )) (( segid " A" and resid 209 and name HB1 )) 6.000 4.500 0.000 peak 1759 spectrum 1 weight 0.10000E+01 volume 0.10353E-02 ppm1 1.960 ppm2 2.647 CV 1 OR { 1759} (( segid " A" and resid 206 and name HB2 )) (( segid " A" and resid 209 and name HB1 )) OR { 1759} (( segid " A" and resid 206 and name HB2 )) (( segid " A" and resid 204 and name HG2 )) OR { 1759} (( segid " A" and resid 258 and name HB2 )) (( segid " A" and resid 209 and name HB1 )) OR { 1759} (( segid " A" and resid 206 and name HB1 )) (( segid " A" and resid 204 and name HG2 )) ASSI { 1760} ( segid " A" and resid 168 and name HD1%) (( segid " A" and resid 135 and name HB2 )) 6.000 4.500 0.000 peak 1760 spectrum 1 weight 0.10000E+01 volume 0.17956E-02 ppm1 0.892 ppm2 2.630 CV 1 ASSI { 1761} ( segid " A" and resid 169 and name HB% ) (( segid " A" and resid 135 and name HB2 )) 6.000 4.500 0.000 peak 1761 spectrum 1 weight 0.10000E+01 volume 0.90740E-03 ppm1 1.343 ppm2 2.623 CV 1 ASSI { 1762} (( segid " A" and resid 221 and name HB2 )) (( segid " A" and resid 223 and name HB1 )) 6.000 4.500 0.000 peak 1762 spectrum 1 weight 0.10000E+01 volume 0.50440E-03 ppm1 4.178 ppm2 2.599 CV 1 OR { 1762} (( segid " A" and resid 221 and name HB2 )) (( segid " A" and resid 222 and name HB2 )) ASSI { 1763} (( segid " A" and resid 221 and name HB1 )) (( segid " A" and resid 222 and name HB2 )) 6.000 4.500 0.000 peak 1763 spectrum 1 weight 0.10000E+01 volume 0.53153E-03 ppm1 3.951 ppm2 2.599 CV 1 OR { 1763} (( segid " A" and resid 221 and name HB1 )) (( segid " A" and resid 223 and name HB1 )) OR { 1763} (( segid " A" and resid 221 and name HB1 )) (( segid " A" and resid 249 and name HB2 )) ASSI { 1764} (( segid " A" and resid 111 and name HA )) (( segid " A" and resid 111 and name HG1 )) 6.000 4.500 0.000 peak 1764 spectrum 1 weight 0.10000E+01 volume 0.16507E-02 ppm1 3.885 ppm2 2.594 CV 1 OR { 1764} (( segid " A" and resid 111 and name HA )) (( segid " A" and resid 111 and name HG2 )) ASSI { 1768} (( segid " A" and resid 223 and name HB2 )) (( segid " A" and resid 223 and name HB1 )) 6.000 4.500 0.000 peak 1768 spectrum 1 weight 0.10000E+01 volume 0.14983E-01 ppm1 2.487 ppm2 2.597 CV 1 ASSI { 1769} (( segid " A" and resid 198 and name HG11)) (( segid " A" and resid 111 and name HG1 )) 6.000 4.500 0.000 peak 1769 spectrum 1 weight 0.10000E+01 volume 0.57942E-03 ppm1 1.236 ppm2 2.606 CV 1 OR { 1769} (( segid " A" and resid 198 and name HG11)) (( segid " A" and resid 111 and name HG2 )) ASSI { 1770} ( segid " A" and resid 168 and name HD2%) (( segid " A" and resid 135 and name HB2 )) 6.000 4.500 0.000 peak 1770 spectrum 1 weight 0.10000E+01 volume 0.11426E-02 ppm1 1.014 ppm2 2.600 CV 1 ASSI { 1771} ( segid " A" and resid 240 and name HD2%) (( segid " A" and resid 222 and name HB2 )) 6.000 4.500 0.000 peak 1771 spectrum 1 weight 0.10000E+01 volume 0.15469E-02 ppm1 0.084 ppm2 2.605 CV 1 OR { 1771} ( segid " A" and resid 240 and name HD2%) (( segid " A" and resid 222 and name HB1 )) ASSI { 1772} ( segid " A" and resid 162 and name HG2%) (( segid " A" and resid 135 and name HB2 )) 6.000 4.500 0.000 peak 1772 spectrum 1 weight 0.10000E+01 volume 0.16453E-02 ppm1 0.776 ppm2 2.610 CV 1 OR { 1772} ( segid " A" and resid 241 and name HB% ) (( segid " A" and resid 249 and name HB2 )) OR { 1772} ( segid " A" and resid 241 and name HB% ) (( segid " A" and resid 222 and name HB2 )) ASSI { 1773} ( segid " A" and resid 110 and name HG2%) (( segid " A" and resid 111 and name HG1 )) 6.000 4.500 0.000 peak 1773 spectrum 1 weight 0.10000E+01 volume 0.14994E-02 ppm1 0.838 ppm2 2.600 CV 1 OR { 1773} ( segid " A" and resid 110 and name HG2%) (( segid " A" and resid 111 and name HG2 )) ASSI { 1774} ( segid " A" and resid 141 and name HG2%) (( segid " A" and resid 142 and name HB2 )) 6.000 4.500 0.000 peak 1774 spectrum 1 weight 0.10000E+01 volume 0.75757E-03 ppm1 0.596 ppm2 2.608 CV 1 ASSI { 1775} ( segid " A" and resid 111 and name HE% ) (( segid " A" and resid 111 and name HG2 )) 6.000 4.500 0.000 peak 1775 spectrum 1 weight 0.10000E+01 volume 0.55812E-02 ppm1 1.964 ppm2 2.596 CV 1 OR { 1775} ( segid " A" and resid 111 and name HE% ) (( segid " A" and resid 111 and name HG1 )) ASSI { 1776} ( segid " A" and resid 198 and name HG2%) (( segid " A" and resid 111 and name HG1 )) 6.000 4.500 0.000 peak 1776 spectrum 1 weight 0.10000E+01 volume 0.17729E-02 ppm1 0.921 ppm2 2.609 CV 1 OR { 1776} ( segid " A" and resid 198 and name HG2%) (( segid " A" and resid 111 and name HG2 )) ASSI { 1777} ( segid " A" and resid 198 and name HD1%) (( segid " A" and resid 111 and name HG1 )) 6.000 4.500 0.000 peak 1777 spectrum 1 weight 0.10000E+01 volume 0.29630E-02 ppm1 0.725 ppm2 2.602 CV 1 OR { 1777} ( segid " A" and resid 198 and name HD1%) (( segid " A" and resid 111 and name HG2 )) ASSI { 1779} (( segid " A" and resid 242 and name HA )) (( segid " A" and resid 249 and name HB2 )) 6.000 4.500 0.000 peak 1779 spectrum 1 weight 0.10000E+01 volume 0.11794E-02 ppm1 4.719 ppm2 2.578 CV 1 ASSI { 1780} (( segid " A" and resid 242 and name HD2 )) (( segid " A" and resid 249 and name HB2 )) 6.000 4.500 0.000 peak 1780 spectrum 1 weight 0.10000E+01 volume 0.11837E-02 ppm1 3.017 ppm2 2.580 CV 1 ASSI { 1781} (( segid " A" and resid 235 and name HB )) (( segid " A" and resid 230 and name HG1 )) 6.000 4.500 0.000 peak 1781 spectrum 1 weight 0.10000E+01 volume 0.79292E-03 ppm1 1.600 ppm2 2.572 CV 1 OR { 1781} (( segid " A" and resid 235 and name HB )) (( segid " A" and resid 230 and name HG2 )) ASSI { 1783} (( segid " A" and resid 226 and name HD1 )) (( segid " A" and resid 230 and name HG1 )) 6.000 4.500 0.000 peak 1783 spectrum 1 weight 0.10000E+01 volume 0.14518E-02 ppm1 1.639 ppm2 2.573 CV 1 OR { 1783} (( segid " A" and resid 226 and name HD2 )) (( segid " A" and resid 230 and name HG1 )) OR { 1783} (( segid " A" and resid 226 and name HD1 )) (( segid " A" and resid 230 and name HG2 )) OR { 1783} (( segid " A" and resid 226 and name HD2 )) (( segid " A" and resid 230 and name HG2 )) ASSI { 1784} (( segid " A" and resid 242 and name HG2 )) (( segid " A" and resid 249 and name HB2 )) 6.000 4.500 0.000 peak 1784 spectrum 1 weight 0.10000E+01 volume 0.85486E-03 ppm1 1.329 ppm2 2.589 CV 1 ASSI { 1785} (( segid " A" and resid 240 and name HG )) (( segid " A" and resid 222 and name HB2 )) 6.000 4.500 0.000 peak 1785 spectrum 1 weight 0.10000E+01 volume 0.74871E-03 ppm1 1.114 ppm2 2.582 CV 1 ASSI { 1786} ( segid " A" and resid 240 and name HD1%) (( segid " A" and resid 222 and name HB2 )) 6.000 4.500 0.000 peak 1786 spectrum 1 weight 0.10000E+01 volume 0.24182E-02 ppm1 -0.085 ppm2 2.591 CV 1 ASSI { 1788} (( segid " A" and resid 197 and name HA )) (( segid " A" and resid 200 and name HG1 )) 6.000 4.500 0.000 peak 1788 spectrum 1 weight 0.10000E+01 volume 0.78611E-03 ppm1 3.878 ppm2 2.544 CV 1 ASSI { 1789} (( segid " A" and resid 227 and name HA )) (( segid " A" and resid 230 and name HG2 )) 6.000 4.500 0.000 peak 1789 spectrum 1 weight 0.10000E+01 volume 0.10491E-02 ppm1 4.215 ppm2 2.558 CV 1 OR { 1789} (( segid " A" and resid 227 and name HA )) (( segid " A" and resid 230 and name HG1 )) ASSI { 1791} (( segid " A" and resid 230 and name HA )) (( segid " A" and resid 230 and name HG2 )) 6.000 4.500 0.000 peak 1791 spectrum 1 weight 0.10000E+01 volume 0.29598E-02 ppm1 5.047 ppm2 2.553 CV 1 OR { 1791} (( segid " A" and resid 230 and name HA )) (( segid " A" and resid 230 and name HG1 )) ASSI { 1792} (( segid " A" and resid 234 and name HA )) (( segid " A" and resid 230 and name HG1 )) 6.000 4.500 0.000 peak 1792 spectrum 1 weight 0.10000E+01 volume 0.20950E-02 ppm1 4.255 ppm2 2.561 CV 1 OR { 1792} (( segid " A" and resid 234 and name HA )) (( segid " A" and resid 230 and name HG2 )) ASSI { 1793} (( segid " A" and resid 133 and name HA )) (( segid " A" and resid 130 and name HG2 )) 6.000 4.500 0.000 peak 1793 spectrum 1 weight 0.10000E+01 volume 0.10918E-02 ppm1 4.730 ppm2 2.552 CV 1 ASSI { 1794} (( segid " A" and resid 279 and name HB2 )) (( segid " A" and resid 279 and name HB1 )) 6.000 4.500 0.000 peak 1794 spectrum 1 weight 0.10000E+01 volume 0.22236E-02 ppm1 2.735 ppm2 2.548 CV 1 ASSI { 1795} (( segid " A" and resid 200 and name HB1 )) (( segid " A" and resid 200 and name HG1 )) 6.000 4.500 0.000 peak 1795 spectrum 1 weight 0.10000E+01 volume 0.63985E-02 ppm1 2.280 ppm2 2.544 CV 1 OR { 1795} (( segid " A" and resid 230 and name HB1 )) (( segid " A" and resid 230 and name HG2 )) OR { 1795} (( segid " A" and resid 230 and name HB1 )) (( segid " A" and resid 230 and name HG1 )) ASSI { 1796} (( segid " A" and resid 226 and name HG1 )) (( segid " A" and resid 230 and name HG1 )) 6.000 4.500 0.000 peak 1796 spectrum 1 weight 0.10000E+01 volume 0.73498E-03 ppm1 1.187 ppm2 2.563 CV 1 OR { 1796} (( segid " A" and resid 226 and name HG1 )) (( segid " A" and resid 230 and name HG2 )) ASSI { 1798} ( segid " A" and resid 235 and name HG2%) (( segid " A" and resid 230 and name HG1 )) 6.000 4.500 0.000 peak 1798 spectrum 1 weight 0.10000E+01 volume 0.18874E-02 ppm1 0.574 ppm2 2.557 CV 1 OR { 1798} ( segid " A" and resid 235 and name HG2%) (( segid " A" and resid 230 and name HG2 )) ASSI { 1799} ( segid " A" and resid 255 and name HG2%) (( segid " A" and resid 230 and name HG1 )) 6.000 4.500 0.000 peak 1799 spectrum 1 weight 0.10000E+01 volume 0.86848E-03 ppm1 0.216 ppm2 2.558 CV 1 OR { 1799} ( segid " A" and resid 255 and name HG2%) (( segid " A" and resid 230 and name HG2 )) ASSI { 1800} ( segid " A" and resid 235 and name HD1%) (( segid " A" and resid 230 and name HG1 )) 6.000 4.500 0.000 peak 1800 spectrum 1 weight 0.10000E+01 volume 0.43240E-02 ppm1 0.677 ppm2 2.557 CV 1 OR { 1800} ( segid " A" and resid 235 and name HD1%) (( segid " A" and resid 230 and name HG2 )) ASSI { 1802} (( segid " A" and resid 221 and name HB2 )) (( segid " A" and resid 224 and name HB2 )) 6.000 4.500 0.000 peak 1802 spectrum 1 weight 0.10000E+01 volume 0.54050E-03 ppm1 4.186 ppm2 2.527 CV 1 ASSI { 1803} (( segid " A" and resid 127 and name HA )) (( segid " A" and resid 130 and name HG2 )) 6.000 4.500 0.000 peak 1803 spectrum 1 weight 0.10000E+01 volume 0.73984E-03 ppm1 3.989 ppm2 2.538 CV 1 ASSI { 1807} (( segid " A" and resid 200 and name HG2 )) (( segid " A" and resid 200 and name HG1 )) 6.000 4.500 0.000 peak 1807 spectrum 1 weight 0.10000E+01 volume 0.18939E-01 ppm1 2.346 ppm2 2.537 CV 1 ASSI { 1808} ( segid " A" and resid 220 and name HD2%) (( segid " A" and resid 224 and name HB2 )) 6.000 4.500 0.000 peak 1808 spectrum 1 weight 0.10000E+01 volume 0.99637E-03 ppm1 0.904 ppm2 2.528 CV 1 ASSI { 1810} ( segid " A" and resid 272 and name HD1%) (( segid " A" and resid 279 and name HB1 )) 6.000 4.500 0.000 peak 1810 spectrum 1 weight 0.10000E+01 volume 0.33327E-02 ppm1 0.803 ppm2 2.530 CV 1 ASSI { 1811} ( segid " A" and resid 275 and name HD1%) (( segid " A" and resid 224 and name HB2 )) 6.000 4.500 0.000 peak 1811 spectrum 1 weight 0.10000E+01 volume 0.70547E-03 ppm1 1.045 ppm2 2.523 CV 1 ASSI { 1812} ( segid " A" and resid 272 and name HD2%) (( segid " A" and resid 279 and name HB1 )) 6.000 4.500 0.000 peak 1812 spectrum 1 weight 0.10000E+01 volume 0.56515E-02 ppm1 0.700 ppm2 2.529 CV 1 ASSI { 1813} ( segid " A" and resid 133 and name HB% ) (( segid " A" and resid 130 and name HG2 )) 6.000 4.500 0.000 peak 1813 spectrum 1 weight 0.10000E+01 volume 0.77627E-03 ppm1 1.609 ppm2 2.538 CV 1 ASSI { 1815} (( segid " A" and resid 227 and name HB1 )) (( segid " A" and resid 224 and name HB2 )) 6.000 4.500 0.000 peak 1815 spectrum 1 weight 0.10000E+01 volume 0.19534E-02 ppm1 4.008 ppm2 2.496 CV 1 OR { 1815} (( segid " A" and resid 118 and name HB1 )) (( segid " A" and resid 182 and name HB1 )) OR { 1815} (( segid " A" and resid 118 and name HB1 )) (( segid " A" and resid 182 and name HB2 )) ASSI { 1818} (( segid " A" and resid 177 and name HA )) (( segid " A" and resid 182 and name HB2 )) 6.000 4.500 0.000 peak 1818 spectrum 1 weight 0.10000E+01 volume 0.83032E-03 ppm1 4.590 ppm2 2.488 CV 1 OR { 1818} (( segid " A" and resid 177 and name HA )) (( segid " A" and resid 182 and name HB1 )) ASSI { 1821} ( segid " A" and resid 275 and name HD2%) (( segid " A" and resid 224 and name HB2 )) 6.000 4.500 0.000 peak 1821 spectrum 1 weight 0.10000E+01 volume 0.82535E-03 ppm1 0.972 ppm2 2.501 CV 1 ASSI { 1822} ( segid " A" and resid 220 and name HD1%) (( segid " A" and resid 224 and name HB2 )) 6.000 4.500 0.000 peak 1822 spectrum 1 weight 0.10000E+01 volume 0.23371E-02 ppm1 0.693 ppm2 2.509 CV 1 ASSI { 1823} ( segid " A" and resid 225 and name HD1%) (( segid " A" and resid 224 and name HB2 )) 6.000 4.500 0.000 peak 1823 spectrum 1 weight 0.10000E+01 volume 0.98242E-03 ppm1 0.629 ppm2 2.492 CV 1 ASSI { 1825} (( segid " A" and resid 221 and name HB1 )) (( segid " A" and resid 224 and name HB2 )) 6.000 4.500 0.000 peak 1825 spectrum 1 weight 0.10000E+01 volume 0.52461E-03 ppm1 3.942 ppm2 2.482 CV 1 OR { 1825} (( segid " A" and resid 221 and name HB1 )) (( segid " A" and resid 223 and name HB2 )) ASSI { 1826} (( segid " A" and resid 274 and name HA )) (( segid " A" and resid 274 and name HB2 )) 6.000 4.500 0.000 peak 1826 spectrum 1 weight 0.10000E+01 volume 0.21145E-02 ppm1 4.306 ppm2 2.465 CV 1 ASSI { 1827} ( segid " A" and resid 183 and name HG2%) (( segid " A" and resid 182 and name HB1 )) 6.000 4.500 0.000 peak 1827 spectrum 1 weight 0.10000E+01 volume 0.10983E-02 ppm1 0.950 ppm2 2.483 CV 1 OR { 1827} ( segid " A" and resid 183 and name HG2%) (( segid " A" and resid 182 and name HB2 )) OR { 1827} ( segid " A" and resid 211 and name HG2%) (( segid " A" and resid 212 and name HB2 )) ASSI { 1828} ( segid " A" and resid 177 and name HE% ) (( segid " A" and resid 182 and name HB2 )) 6.000 4.500 0.000 peak 1828 spectrum 1 weight 0.10000E+01 volume 0.13772E-02 ppm1 1.915 ppm2 2.479 CV 1 OR { 1828} ( segid " A" and resid 177 and name HE% ) (( segid " A" and resid 182 and name HB1 )) ASSI { 1830} (( segid " A" and resid 274 and name HB1 )) (( segid " A" and resid 274 and name HB2 )) 6.000 4.500 0.000 peak 1830 spectrum 1 weight 0.10000E+01 volume 0.26723E-02 ppm1 2.211 ppm2 2.453 CV 1 ASSI { 1831} (( segid " A" and resid 250 and name HG2 )) (( segid " A" and resid 250 and name HB2 )) 6.000 4.500 0.000 peak 1831 spectrum 1 weight 0.10000E+01 volume 0.10241E-02 ppm1 1.489 ppm2 2.437 CV 1 ASSI { 1832} (( segid " A" and resid 250 and name HG1 )) (( segid " A" and resid 250 and name HB2 )) 6.000 4.500 0.000 peak 1832 spectrum 1 weight 0.10000E+01 volume 0.11253E-02 ppm1 1.346 ppm2 2.437 CV 1 ASSI { 1833} (( segid " A" and resid 127 and name HA )) (( segid " A" and resid 130 and name HG1 )) 6.000 4.500 0.000 peak 1833 spectrum 1 weight 0.10000E+01 volume 0.50440E-03 ppm1 3.993 ppm2 2.418 CV 1 ASSI { 1834} (( segid " A" and resid 193 and name HA )) (( segid " A" and resid 193 and name HG2 )) 6.000 4.500 0.000 peak 1834 spectrum 1 weight 0.10000E+01 volume 0.79260E-02 ppm1 4.172 ppm2 2.413 CV 1 OR { 1834} (( segid " A" and resid 193 and name HA )) (( segid " A" and resid 193 and name HG1 )) ASSI { 1835} (( segid " A" and resid 190 and name HB2 )) (( segid " A" and resid 193 and name HG1 )) 6.000 4.500 0.000 peak 1835 spectrum 1 weight 0.10000E+01 volume 0.84892E-03 ppm1 2.987 ppm2 2.422 CV 1 OR { 1835} (( segid " A" and resid 190 and name HB2 )) (( segid " A" and resid 193 and name HG2 )) ASSI { 1836} (( segid " A" and resid 250 and name HD2 )) (( segid " A" and resid 250 and name HB2 )) 6.000 4.500 0.000 peak 1836 spectrum 1 weight 0.10000E+01 volume 0.25350E-02 ppm1 1.813 ppm2 2.427 CV 1 ASSI { 1837} (( segid " A" and resid 196 and name HA )) (( segid " A" and resid 196 and name HB2 )) 6.000 4.500 0.000 peak 1837 spectrum 1 weight 0.10000E+01 volume 0.35403E-02 ppm1 4.432 ppm2 2.375 CV 1 ASSI { 1841} (( segid " A" and resid 250 and name HE2 )) (( segid " A" and resid 243 and name HB2 )) 6.000 4.500 0.000 peak 1841 spectrum 1 weight 0.10000E+01 volume 0.24409E-02 ppm1 2.945 ppm2 2.391 CV 1 ASSI { 1843} (( segid " A" and resid 196 and name HB1 )) (( segid " A" and resid 196 and name HB2 )) 6.000 4.500 0.000 peak 1843 spectrum 1 weight 0.10000E+01 volume 0.42462E-02 ppm1 1.758 ppm2 2.377 CV 1 ASSI { 1844} (( segid " A" and resid 172 and name HB2 )) (( segid " A" and resid 172 and name HB1 )) 6.000 4.500 0.000 peak 1844 spectrum 1 weight 0.10000E+01 volume 0.48970E-02 ppm1 1.739 ppm2 2.378 CV 1 ASSI { 1845} ( segid " A" and resid 114 and name HG2%) (( segid " A" and resid 169 and name HA )) 6.000 4.500 0.000 peak 1845 spectrum 1 weight 0.10000E+01 volume 0.18950E-02 ppm1 0.920 ppm2 2.384 CV 1 ASSI { 1846} ( segid " A" and resid 127 and name HG2%) (( segid " A" and resid 130 and name HG1 )) 6.000 4.500 0.000 peak 1846 spectrum 1 weight 0.10000E+01 volume 0.90048E-03 ppm1 1.311 ppm2 2.388 CV 1 ASSI { 1847} ( segid " A" and resid 266 and name HB% ) (( segid " A" and resid 266 and name HA )) 6.000 4.500 0.000 peak 1847 spectrum 1 weight 0.10000E+01 volume 0.75930E-02 ppm1 1.248 ppm2 2.398 CV 1 ASSI { 1848} ( segid " A" and resid 169 and name HB% ) (( segid " A" and resid 169 and name HA )) 6.000 4.500 0.000 peak 1848 spectrum 1 weight 0.10000E+01 volume 0.62331E-02 ppm1 1.344 ppm2 2.392 CV 1 ASSI { 1849} ( segid " A" and resid 133 and name HB% ) (( segid " A" and resid 130 and name HG1 )) 6.000 4.500 0.000 peak 1849 spectrum 1 weight 0.10000E+01 volume 0.96577E-03 ppm1 1.610 ppm2 2.392 CV 1 ASSI { 1850} ( segid " A" and resid 173 and name HE% ) (( segid " A" and resid 169 and name HA )) 6.000 4.500 0.000 peak 1850 spectrum 1 weight 0.10000E+01 volume 0.18237E-02 ppm1 1.385 ppm2 2.378 CV 1 OR { 1850} ( segid " A" and resid 173 and name HE% ) (( segid " A" and resid 172 and name HB1 )) ASSI { 1851} ( segid " A" and resid 270 and name HE% ) (( segid " A" and resid 266 and name HA )) 6.000 4.500 0.000 peak 1851 spectrum 1 weight 0.10000E+01 volume 0.99074E-03 ppm1 0.185 ppm2 2.389 CV 1 ASSI { 1852} ( segid " A" and resid 197 and name HD1%) (( segid " A" and resid 196 and name HB2 )) 6.000 4.500 0.000 peak 1852 spectrum 1 weight 0.10000E+01 volume 0.51878E-02 ppm1 0.786 ppm2 2.399 CV 1 ASSI { 1853} (( segid " A" and resid 245 and name HA )) (( segid " A" and resid 244 and name HB1 )) 6.000 4.500 0.000 peak 1853 spectrum 1 weight 0.10000E+01 volume 0.47456E-03 ppm1 4.198 ppm2 2.349 CV 1 ASSI { 1854} (( segid " A" and resid 164 and name HA )) (( segid " A" and resid 286 and name HB )) 6.000 4.500 0.000 peak 1854 spectrum 1 weight 0.10000E+01 volume 0.14777E-02 ppm1 3.304 ppm2 2.352 CV 1 ASSI { 1857} (( segid " A" and resid 150 and name HA )) (( segid " A" and resid 150 and name HB2 )) 6.000 4.500 0.000 peak 1857 spectrum 1 weight 0.10000E+01 volume 0.25393E-02 ppm1 3.891 ppm2 2.363 CV 1 ASSI { 1858} (( segid " A" and resid 244 and name HD2 )) (( segid " A" and resid 244 and name HB1 )) 6.000 4.500 0.000 peak 1858 spectrum 1 weight 0.10000E+01 volume 0.10394E-02 ppm1 4.066 ppm2 2.358 CV 1 ASSI { 1859} (( segid " A" and resid 244 and name HD1 )) (( segid " A" and resid 244 and name HB1 )) 6.000 4.500 0.000 peak 1859 spectrum 1 weight 0.10000E+01 volume 0.12615E-02 ppm1 4.002 ppm2 2.358 CV 1 ASSI { 1861} ( segid " A" and resid 168 and name HD2%) (( segid " A" and resid 172 and name HB1 )) 6.000 4.500 0.000 peak 1861 spectrum 1 weight 0.10000E+01 volume 0.18064E-02 ppm1 1.012 ppm2 2.356 CV 1 OR { 1861} ( segid " A" and resid 280 and name HD1%) (( segid " A" and resid 278 and name HG2 )) OR { 1861} ( segid " A" and resid 168 and name HD2%) (( segid " A" and resid 167 and name HG2 )) ASSI { 1862} ( segid " A" and resid 245 and name HG2%) (( segid " A" and resid 244 and name HB1 )) 6.000 4.500 0.000 peak 1862 spectrum 1 weight 0.10000E+01 volume 0.14799E-02 ppm1 1.233 ppm2 2.347 CV 1 ASSI { 1863} ( segid " A" and resid 286 and name HG1%) (( segid " A" and resid 286 and name HB )) 6.000 4.500 0.000 peak 1863 spectrum 1 weight 0.10000E+01 volume 0.15631E-01 ppm1 0.781 ppm2 2.360 CV 1 ASSI { 1864} ( segid " A" and resid 285 and name HB% ) (( segid " A" and resid 286 and name HB )) 6.000 4.500 0.000 peak 1864 spectrum 1 weight 0.10000E+01 volume 0.28106E-02 ppm1 1.514 ppm2 2.352 CV 1 ASSI { 1865} ( segid " A" and resid 286 and name HG2%) (( segid " A" and resid 286 and name HB )) 6.000 4.500 0.000 peak 1865 spectrum 1 weight 0.10000E+01 volume 0.12172E-01 ppm1 0.551 ppm2 2.362 CV 1 ASSI { 1866} ( segid " A" and resid 198 and name HG2%) (( segid " A" and resid 195 and name HG2 )) 6.000 4.500 0.000 peak 1866 spectrum 1 weight 0.10000E+01 volume 0.34463E-02 ppm1 0.922 ppm2 2.350 CV 1 OR { 1866} ( segid " A" and resid 198 and name HG2%) (( segid " A" and resid 195 and name HG1 )) ASSI { 1867} ( segid " A" and resid 198 and name HD1%) (( segid " A" and resid 195 and name HG2 )) 6.000 4.500 0.000 peak 1867 spectrum 1 weight 0.10000E+01 volume 0.53694E-02 ppm1 0.725 ppm2 2.368 CV 1 OR { 1867} ( segid " A" and resid 198 and name HD1%) (( segid " A" and resid 195 and name HG1 )) ASSI { 1868} (( segid " A" and resid 244 and name HA )) (( segid " A" and resid 244 and name HB1 )) 6.000 4.500 0.000 peak 1868 spectrum 1 weight 0.10000E+01 volume 0.65401E-02 ppm1 4.383 ppm2 2.342 CV 1 ASSI { 1870} (( segid " A" and resid 217 and name HA )) (( segid " A" and resid 278 and name HG2 )) 6.000 4.500 0.000 peak 1870 spectrum 1 weight 0.10000E+01 volume 0.23955E-02 ppm1 3.872 ppm2 2.334 CV 1 OR { 1870} (( segid " A" and resid 135 and name HA )) (( segid " A" and resid 212 and name HB1 )) ASSI { 1871} (( segid " A" and resid 111 and name HA )) (( segid " A" and resid 111 and name HB1 )) 6.000 4.500 0.000 peak 1871 spectrum 1 weight 0.10000E+01 volume 0.46083E-02 ppm1 3.895 ppm2 2.343 CV 1 OR { 1871} (( segid " A" and resid 111 and name HA )) (( segid " A" and resid 111 and name HB2 )) ASSI { 1872} (( segid " A" and resid 167 and name HA )) (( segid " A" and resid 167 and name HG2 )) 6.000 4.500 0.000 peak 1872 spectrum 1 weight 0.10000E+01 volume 0.13696E-02 ppm1 3.711 ppm2 2.329 CV 1 ASSI { 1874} (( segid " A" and resid 277 and name HA1 )) (( segid " A" and resid 278 and name HG2 )) 6.000 4.500 0.000 peak 1874 spectrum 1 weight 0.10000E+01 volume 0.48916E-03 ppm1 4.066 ppm2 2.327 CV 1 OR { 1874} (( segid " A" and resid 136 and name HA2 )) (( segid " A" and resid 137 and name HB1 )) ASSI { 1876} (( segid " A" and resid 244 and name HB2 )) (( segid " A" and resid 244 and name HB1 )) 6.000 4.500 0.000 peak 1876 spectrum 1 weight 0.10000E+01 volume 0.11880E-01 ppm1 2.028 ppm2 2.342 CV 1 ASSI { 1877} ( segid " A" and resid 202 and name HB% ) (( segid " A" and resid 203 and name HG2 )) 6.000 4.500 0.000 peak 1877 spectrum 1 weight 0.10000E+01 volume 0.27393E-02 ppm1 1.559 ppm2 2.321 CV 1 OR { 1877} ( segid " A" and resid 202 and name HB% ) (( segid " A" and resid 203 and name HG1 )) OR { 1877} ( segid " A" and resid 202 and name HB% ) (( segid " A" and resid 200 and name HG2 )) ASSI { 1878} ( segid " A" and resid 111 and name HE% ) (( segid " A" and resid 111 and name HB1 )) 6.000 4.500 0.000 peak 1878 spectrum 1 weight 0.10000E+01 volume 0.15783E-01 ppm1 1.964 ppm2 2.335 CV 1 ASSI { 1879} (( segid " A" and resid 287 and name HB )) (( segid " A" and resid 288 and name HG1 )) 6.000 4.500 0.000 peak 1879 spectrum 1 weight 0.10000E+01 volume 0.54958E-03 ppm1 4.193 ppm2 2.309 CV 1 OR { 1879} (( segid " A" and resid 287 and name HB )) (( segid " A" and resid 111 and name HB2 )) ASSI { 1880} (( segid " A" and resid 229 and name HA )) (( segid " A" and resid 230 and name HB1 )) 6.000 4.500 0.000 peak 1880 spectrum 1 weight 0.10000E+01 volume 0.93799E-03 ppm1 4.179 ppm2 2.302 CV 1 OR { 1880} (( segid " A" and resid 229 and name HA )) (( segid " A" and resid 238 and name HB1 )) ASSI { 1882} (( segid " A" and resid 287 and name HA )) (( segid " A" and resid 288 and name HG1 )) 6.000 4.500 0.000 peak 1882 spectrum 1 weight 0.10000E+01 volume 0.85194E-03 ppm1 4.654 ppm2 2.301 CV 1 ASSI { 1883} (( segid " A" and resid 212 and name HA )) (( segid " A" and resid 212 and name HB1 )) 6.000 4.500 0.000 peak 1883 spectrum 1 weight 0.10000E+01 volume 0.68687E-03 ppm1 4.710 ppm2 2.312 CV 1 ASSI { 1886} (( segid " A" and resid 288 and name HD2 )) (( segid " A" and resid 288 and name HG1 )) 6.000 4.500 0.000 peak 1886 spectrum 1 weight 0.10000E+01 volume 0.71336E-03 ppm1 3.899 ppm2 2.300 CV 1 ASSI { 1888} (( segid " A" and resid 226 and name HE2 )) (( segid " A" and resid 230 and name HB1 )) 6.000 4.500 0.000 peak 1888 spectrum 1 weight 0.10000E+01 volume 0.13005E-02 ppm1 2.839 ppm2 2.303 CV 1 OR { 1888} (( segid " A" and resid 226 and name HE1 )) (( segid " A" and resid 230 and name HB1 )) ASSI { 1889} (( segid " A" and resid 230 and name HG2 )) (( segid " A" and resid 230 and name HB1 )) 6.000 4.500 0.000 peak 1889 spectrum 1 weight 0.10000E+01 volume 0.44581E-02 ppm1 2.556 ppm2 2.293 CV 1 OR { 1889} (( segid " A" and resid 230 and name HG1 )) (( segid " A" and resid 230 and name HB1 )) ASSI { 1891} (( segid " A" and resid 288 and name HG2 )) (( segid " A" and resid 288 and name HG1 )) 6.000 4.500 0.000 peak 1891 spectrum 1 weight 0.10000E+01 volume 0.20042E-02 ppm1 1.744 ppm2 2.309 CV 1 ASSI { 1892} (( segid " A" and resid 151 and name HG2 )) (( segid " A" and resid 146 and name HB2 )) 6.000 4.500 0.000 peak 1892 spectrum 1 weight 0.10000E+01 volume 0.54126E-03 ppm1 1.206 ppm2 2.296 CV 1 OR { 1892} (( segid " A" and resid 151 and name HG1 )) (( segid " A" and resid 146 and name HB2 )) ASSI { 1894} ( segid " A" and resid 201 and name HD2%) (( segid " A" and resid 288 and name HG1 )) 6.000 4.500 0.000 peak 1894 spectrum 1 weight 0.10000E+01 volume 0.48245E-02 ppm1 0.809 ppm2 2.293 CV 1 OR { 1894} ( segid " A" and resid 201 and name HD2%) (( segid " A" and resid 204 and name HG1 )) ASSI { 1896} ( segid " A" and resid 255 and name HG2%) (( segid " A" and resid 238 and name HB1 )) 6.000 4.500 0.000 peak 1896 spectrum 1 weight 0.10000E+01 volume 0.16550E-02 ppm1 0.218 ppm2 2.307 CV 1 ASSI { 1897} ( segid " A" and resid 235 and name HD1%) (( segid " A" and resid 238 and name HB1 )) 6.000 4.500 0.000 peak 1897 spectrum 1 weight 0.10000E+01 volume 0.29285E-02 ppm1 0.677 ppm2 2.297 CV 1 OR { 1897} ( segid " A" and resid 235 and name HD1%) (( segid " A" and resid 230 and name HB1 )) ASSI { 1898} ( segid " A" and resid 255 and name HD1%) (( segid " A" and resid 238 and name HB1 )) 6.000 4.500 0.000 peak 1898 spectrum 1 weight 0.10000E+01 volume 0.12086E-02 ppm1 -0.125 ppm2 2.320 CV 1 ASSI { 1901} (( segid " A" and resid 229 and name HA )) (( segid " A" and resid 230 and name HB1 )) 6.000 4.500 0.000 peak 1901 spectrum 1 weight 0.10000E+01 volume 0.76146E-03 ppm1 4.150 ppm2 2.274 CV 1 OR { 1901} (( segid " A" and resid 112 and name HA )) (( segid " A" and resid 161 and name HG1 )) ASSI { 1904} (( segid " A" and resid 231 and name HA )) (( segid " A" and resid 230 and name HB1 )) 6.000 4.500 0.000 peak 1904 spectrum 1 weight 0.10000E+01 volume 0.93940E-03 ppm1 3.867 ppm2 2.276 CV 1 OR { 1904} (( segid " A" and resid 205 and name HA )) (( segid " A" and resid 204 and name HG1 )) ASSI { 1905} (( segid " A" and resid 182 and name HA )) (( segid " A" and resid 177 and name HG2 )) 6.000 4.500 0.000 peak 1905 spectrum 1 weight 0.10000E+01 volume 0.16918E-02 ppm1 4.845 ppm2 2.278 CV 1 OR { 1905} (( segid " A" and resid 182 and name HA )) (( segid " A" and resid 177 and name HG1 )) ASSI { 1906} (( segid " A" and resid 156 and name HA )) (( segid " A" and resid 143 and name HG1 )) 6.000 4.500 0.000 peak 1906 spectrum 1 weight 0.10000E+01 volume 0.61412E-03 ppm1 4.767 ppm2 2.323 CV 1 ASSI { 1907} (( segid " A" and resid 275 and name HB2 )) (( segid " A" and resid 278 and name HG1 )) 6.000 4.500 0.000 peak 1907 spectrum 1 weight 0.10000E+01 volume 0.55585E-03 ppm1 2.093 ppm2 2.269 CV 1 ASSI { 1908} (( segid " A" and resid 206 and name HD2 )) (( segid " A" and resid 203 and name HG2 )) 6.000 4.500 0.000 peak 1908 spectrum 1 weight 0.10000E+01 volume 0.23285E-02 ppm1 3.265 ppm2 2.288 CV 1 OR { 1908} (( segid " A" and resid 206 and name HD2 )) (( segid " A" and resid 203 and name HG1 )) OR { 1908} (( segid " A" and resid 206 and name HD1 )) (( segid " A" and resid 203 and name HG2 )) OR { 1908} (( segid " A" and resid 206 and name HD1 )) (( segid " A" and resid 203 and name HG1 )) ASSI { 1909} (( segid " A" and resid 279 and name HB2 )) (( segid " A" and resid 280 and name HB2 )) 6.000 4.500 0.000 peak 1909 spectrum 1 weight 0.10000E+01 volume 0.49543E-03 ppm1 2.735 ppm2 2.281 CV 1 OR { 1909} (( segid " A" and resid 279 and name HB2 )) (( segid " A" and resid 280 and name HG )) ASSI { 1910} ( segid " A" and resid 177 and name HE% ) (( segid " A" and resid 177 and name HG2 )) 6.000 4.500 0.000 peak 1910 spectrum 1 weight 0.10000E+01 volume 0.11859E-01 ppm1 1.918 ppm2 2.287 CV 1 OR { 1910} ( segid " A" and resid 177 and name HE% ) (( segid " A" and resid 177 and name HG1 )) ASSI { 1911} ( segid " A" and resid 225 and name HD1%) (( segid " A" and resid 280 and name HG )) 6.000 4.500 0.000 peak 1911 spectrum 1 weight 0.10000E+01 volume 0.84502E-03 ppm1 0.631 ppm2 2.281 CV 1 OR { 1911} ( segid " A" and resid 225 and name HD1%) (( segid " A" and resid 280 and name HB2 )) ASSI { 1913} (( segid " A" and resid 160 and name HA )) (( segid " A" and resid 161 and name HB2 )) 6.000 4.500 0.000 peak 1913 spectrum 1 weight 0.10000E+01 volume 0.62396E-03 ppm1 5.115 ppm2 2.244 CV 1 OR { 1913} (( segid " A" and resid 160 and name HA )) (( segid " A" and resid 161 and name HG1 )) ASSI { 1915} (( segid " A" and resid 270 and name HA )) (( segid " A" and resid 280 and name HB2 )) 6.000 4.500 0.000 peak 1915 spectrum 1 weight 0.10000E+01 volume 0.84211E-03 ppm1 4.956 ppm2 2.239 CV 1 OR { 1915} (( segid " A" and resid 270 and name HA )) (( segid " A" and resid 280 and name HG )) ASSI { 1916} (( segid " A" and resid 275 and name HB1 )) (( segid " A" and resid 278 and name HG1 )) 6.000 4.500 0.000 peak 1916 spectrum 1 weight 0.10000E+01 volume 0.70644E-03 ppm1 1.434 ppm2 2.240 CV 1 OR { 1916} (( segid " A" and resid 275 and name HB1 )) (( segid " A" and resid 280 and name HG )) ASSI { 1917} (( segid " A" and resid 280 and name HB1 )) (( segid " A" and resid 280 and name HB2 )) 6.000 4.500 0.000 peak 1917 spectrum 1 weight 0.10000E+01 volume 0.10422E-02 ppm1 1.354 ppm2 2.246 CV 1 ASSI { 1918} (( segid " A" and resid 171 and name HG2 )) (( segid " A" and resid 171 and name HG1 )) 6.000 4.500 0.000 peak 1918 spectrum 1 weight 0.10000E+01 volume 0.95831E-02 ppm1 2.655 ppm2 2.244 CV 1 ASSI { 1919} (( segid " A" and resid 139 and name HB1 )) (( segid " A" and resid 161 and name HG1 )) 6.000 4.500 0.000 peak 1919 spectrum 1 weight 0.10000E+01 volume 0.13675E-02 ppm1 1.414 ppm2 2.256 CV 1 OR { 1919} (( segid " A" and resid 139 and name HB1 )) (( segid " A" and resid 161 and name HG2 )) ASSI { 1920} ( segid " A" and resid 275 and name HD2%) (( segid " A" and resid 280 and name HB2 )) 6.000 4.500 0.000 peak 1920 spectrum 1 weight 0.10000E+01 volume 0.14507E-02 ppm1 0.967 ppm2 2.243 CV 1 OR { 1920} ( segid " A" and resid 275 and name HD2%) (( segid " A" and resid 280 and name HG )) OR { 1920} ( segid " A" and resid 275 and name HD2%) (( segid " A" and resid 278 and name HG1 )) ASSI { 1921} ( segid " A" and resid 280 and name HD1%) (( segid " A" and resid 280 and name HG )) 6.000 4.500 0.000 peak 1921 spectrum 1 weight 0.10000E+01 volume 0.62807E-02 ppm1 1.051 ppm2 2.251 CV 1 ASSI { 1922} (( segid " A" and resid 139 and name HG1 )) (( segid " A" and resid 161 and name HB2 )) 6.000 4.500 0.000 peak 1922 spectrum 1 weight 0.10000E+01 volume 0.13005E-02 ppm1 1.290 ppm2 2.249 CV 1 OR { 1922} (( segid " A" and resid 139 and name HG1 )) (( segid " A" and resid 161 and name HG1 )) ASSI { 1923} ( segid " A" and resid 280 and name HD2%) (( segid " A" and resid 280 and name HG )) 6.000 4.500 0.000 peak 1923 spectrum 1 weight 0.10000E+01 volume 0.90156E-02 ppm1 0.869 ppm2 2.250 CV 1 ASSI { 1924} ( segid " A" and resid 148 and name HG1%) (( segid " A" and resid 148 and name HB )) 6.000 4.500 0.000 peak 1924 spectrum 1 weight 0.10000E+01 volume 0.23112E-01 ppm1 0.954 ppm2 2.239 CV 1 ASSI { 1925} ( segid " A" and resid 149 and name HG2%) (( segid " A" and resid 148 and name HB )) 6.000 4.500 0.000 peak 1925 spectrum 1 weight 0.10000E+01 volume 0.51013E-02 ppm1 1.095 ppm2 2.243 CV 1 ASSI { 1926} ( segid " A" and resid 213 and name HG1%) (( segid " A" and resid 280 and name HG )) 6.000 4.500 0.000 peak 1926 spectrum 1 weight 0.10000E+01 volume 0.24182E-02 ppm1 0.343 ppm2 2.259 CV 1 OR { 1926} ( segid " A" and resid 213 and name HG1%) (( segid " A" and resid 280 and name HB2 )) ASSI { 1927} ( segid " A" and resid 148 and name HG2%) (( segid " A" and resid 148 and name HB )) 6.000 4.500 0.000 peak 1927 spectrum 1 weight 0.10000E+01 volume 0.22204E-01 ppm1 0.871 ppm2 2.239 CV 1 ASSI { 1928} ( segid " A" and resid 213 and name HG2%) (( segid " A" and resid 280 and name HG )) 6.000 4.500 0.000 peak 1928 spectrum 1 weight 0.10000E+01 volume 0.26333E-02 ppm1 0.406 ppm2 2.253 CV 1 OR { 1928} ( segid " A" and resid 213 and name HG2%) (( segid " A" and resid 280 and name HB2 )) ASSI { 1929} ( segid " A" and resid 211 and name HG2%) (( segid " A" and resid 256 and name HG1 )) 6.000 4.500 0.000 peak 1929 spectrum 1 weight 0.10000E+01 volume 0.14204E-02 ppm1 0.950 ppm2 2.239 CV 1 ASSI { 1930} (( segid " A" and resid 197 and name HA )) (( segid " A" and resid 200 and name HB2 )) 6.000 4.500 0.000 peak 1930 spectrum 1 weight 0.10000E+01 volume 0.28495E-02 ppm1 3.873 ppm2 2.189 CV 1 ASSI { 1933} (( segid " A" and resid 143 and name HA )) (( segid " A" and resid 143 and name HG2 )) 6.000 4.500 0.000 peak 1933 spectrum 1 weight 0.10000E+01 volume 0.18680E-02 ppm1 4.390 ppm2 2.223 CV 1 ASSI { 1935} (( segid " A" and resid 137 and name HD2 )) (( segid " A" and resid 161 and name HB2 )) 6.000 4.500 0.000 peak 1935 spectrum 1 weight 0.10000E+01 volume 0.15567E-02 ppm1 3.186 ppm2 2.236 CV 1 OR { 1935} (( segid " A" and resid 137 and name HD2 )) (( segid " A" and resid 161 and name HG2 )) OR { 1935} (( segid " A" and resid 137 and name HD2 )) (( segid " A" and resid 161 and name HG1 )) ASSI { 1936} (( segid " A" and resid 250 and name HE1 )) (( segid " A" and resid 137 and name HG2 )) 6.000 4.500 0.000 peak 1936 spectrum 1 weight 0.10000E+01 volume 0.52429E-02 ppm1 2.981 ppm2 2.214 CV 1 ASSI { 1937} (( segid " A" and resid 141 and name HB )) (( segid " A" and resid 125 and name HG1 )) 6.000 4.500 0.000 peak 1937 spectrum 1 weight 0.10000E+01 volume 0.16248E-02 ppm1 1.615 ppm2 2.218 CV 1 OR { 1937} (( segid " A" and resid 141 and name HB )) (( segid " A" and resid 125 and name HG2 )) OR { 1937} (( segid " A" and resid 141 and name HB )) (( segid " A" and resid 125 and name HB1 )) ASSI { 1938} (( segid " A" and resid 143 and name HB1 )) (( segid " A" and resid 143 and name HG2 )) 6.000 4.500 0.000 peak 1938 spectrum 1 weight 0.10000E+01 volume 0.19372E-02 ppm1 1.632 ppm2 2.233 CV 1 OR { 1938} (( segid " A" and resid 143 and name HB2 )) (( segid " A" and resid 143 and name HG2 )) ASSI { 1940} (( segid " A" and resid 141 and name HG12)) (( segid " A" and resid 125 and name HG1 )) 6.000 4.500 0.000 peak 1940 spectrum 1 weight 0.10000E+01 volume 0.64850E-03 ppm1 1.524 ppm2 2.223 CV 1 OR { 1940} (( segid " A" and resid 129 and name HG2 )) (( segid " A" and resid 125 and name HG1 )) OR { 1940} (( segid " A" and resid 129 and name HG2 )) (( segid " A" and resid 125 and name HG2 )) OR { 1940} (( segid " A" and resid 129 and name HG1 )) (( segid " A" and resid 125 and name HG1 )) OR { 1940} (( segid " A" and resid 129 and name HG1 )) (( segid " A" and resid 125 and name HG2 )) OR { 1940} (( segid " A" and resid 141 and name HG12)) (( segid " A" and resid 125 and name HG2 )) OR { 1940} (( segid " A" and resid 141 and name HG12)) (( segid " A" and resid 125 and name HB1 )) ASSI { 1941} ( segid " A" and resid 220 and name HD1%) (( segid " A" and resid 278 and name HG1 )) 6.000 4.500 0.000 peak 1941 spectrum 1 weight 0.10000E+01 volume 0.55585E-03 ppm1 0.689 ppm2 2.223 CV 1 OR { 1941} ( segid " A" and resid 220 and name HD1%) (( segid " A" and resid 218 and name HG1 )) OR { 1941} ( segid " A" and resid 220 and name HD1%) (( segid " A" and resid 280 and name HG )) ASSI { 1942} ( segid " A" and resid 216 and name HG1%) (( segid " A" and resid 280 and name HG )) 6.000 4.500 0.000 peak 1942 spectrum 1 weight 0.10000E+01 volume 0.70449E-03 ppm1 0.667 ppm2 2.224 CV 1 ASSI { 1943} ( segid " A" and resid 158 and name HG1%) (( segid " A" and resid 125 and name HG1 )) 6.000 4.500 0.000 peak 1943 spectrum 1 weight 0.10000E+01 volume 0.56277E-03 ppm1 0.131 ppm2 2.217 CV 1 OR { 1943} ( segid " A" and resid 158 and name HG1%) (( segid " A" and resid 125 and name HG2 )) OR { 1943} ( segid " A" and resid 158 and name HG1%) (( segid " A" and resid 125 and name HB1 )) OR { 1943} ( segid " A" and resid 158 and name HG1%) (( segid " A" and resid 143 and name HG2 )) OR { 1943} ( segid " A" and resid 158 and name HG1%) (( segid " A" and resid 161 and name HB2 )) ASSI { 1944} ( segid " A" and resid 158 and name HG2%) (( segid " A" and resid 125 and name HG1 )) 6.000 4.500 0.000 peak 1944 spectrum 1 weight 0.10000E+01 volume 0.63477E-03 ppm1 0.026 ppm2 2.213 CV 1 OR { 1944} ( segid " A" and resid 158 and name HG2%) (( segid " A" and resid 125 and name HG2 )) OR { 1944} ( segid " A" and resid 158 and name HG2%) (( segid " A" and resid 125 and name HB1 )) OR { 1944} ( segid " A" and resid 158 and name HG2%) (( segid " A" and resid 143 and name HG2 )) ASSI { 1945} ( segid " A" and resid 141 and name HG2%) (( segid " A" and resid 125 and name HG1 )) 6.000 4.500 0.000 peak 1945 spectrum 1 weight 0.10000E+01 volume 0.80038E-02 ppm1 0.593 ppm2 2.219 CV 1 OR { 1945} ( segid " A" and resid 141 and name HG2%) (( segid " A" and resid 143 and name HG2 )) OR { 1945} ( segid " A" and resid 141 and name HG2%) (( segid " A" and resid 125 and name HB1 )) ASSI { 1946} ( segid " A" and resid 143 and name HE% ) (( segid " A" and resid 143 and name HG2 )) 6.000 4.500 0.000 peak 1946 spectrum 1 weight 0.10000E+01 volume 0.42851E-02 ppm1 1.268 ppm2 2.222 CV 1 ASSI { 1947} ( segid " A" and resid 270 and name HE% ) (( segid " A" and resid 280 and name HB2 )) 6.000 4.500 0.000 peak 1947 spectrum 1 weight 0.10000E+01 volume 0.15058E-02 ppm1 0.184 ppm2 2.234 CV 1 OR { 1947} ( segid " A" and resid 270 and name HE% ) (( segid " A" and resid 280 and name HG )) ASSI { 1949} (( segid " A" and resid 217 and name HA )) (( segid " A" and resid 218 and name HG1 )) 6.000 4.500 0.000 peak 1949 spectrum 1 weight 0.10000E+01 volume 0.19620E-02 ppm1 3.884 ppm2 2.202 CV 1 ASSI { 1950} (( segid " A" and resid 200 and name HA )) (( segid " A" and resid 200 and name HB2 )) 6.000 4.500 0.000 peak 1950 spectrum 1 weight 0.10000E+01 volume 0.10565E-01 ppm1 4.117 ppm2 2.184 CV 1 ASSI { 1952} (( segid " A" and resid 150 and name HA )) (( segid " A" and resid 150 and name HB1 )) 6.000 4.500 0.000 peak 1952 spectrum 1 weight 0.10000E+01 volume 0.31284E-02 ppm1 3.888 ppm2 2.205 CV 1 ASSI { 1953} (( segid " A" and resid 219 and name HA )) (( segid " A" and resid 218 and name HG1 )) 6.000 4.500 0.000 peak 1953 spectrum 1 weight 0.10000E+01 volume 0.92826E-03 ppm1 4.747 ppm2 2.209 CV 1 ASSI { 1954} (( segid " A" and resid 210 and name HA )) (( segid " A" and resid 256 and name HG1 )) 6.000 4.500 0.000 peak 1954 spectrum 1 weight 0.10000E+01 volume 0.56904E-03 ppm1 5.726 ppm2 2.202 CV 1 ASSI { 1955} (( segid " A" and resid 129 and name HD2 )) (( segid " A" and resid 125 and name HG2 )) 6.000 4.500 0.000 peak 1955 spectrum 1 weight 0.10000E+01 volume 0.48429E-03 ppm1 3.343 ppm2 2.209 CV 1 OR { 1955} (( segid " A" and resid 129 and name HD2 )) (( segid " A" and resid 125 and name HG1 )) ASSI { 1956} (( segid " A" and resid 259 and name HE2 )) (( segid " A" and resid 258 and name HG1 )) 6.000 4.500 0.000 peak 1956 spectrum 1 weight 0.10000E+01 volume 0.34192E-02 ppm1 3.043 ppm2 2.189 CV 1 OR { 1956} (( segid " A" and resid 259 and name HE1 )) (( segid " A" and resid 258 and name HG1 )) OR { 1956} (( segid " A" and resid 259 and name HE1 )) (( segid " A" and resid 258 and name HB1 )) ASSI { 1957} (( segid " A" and resid 250 and name HE2 )) (( segid " A" and resid 137 and name HG2 )) 6.000 4.500 0.000 peak 1957 spectrum 1 weight 0.10000E+01 volume 0.59510E-02 ppm1 2.961 ppm2 2.196 CV 1 ASSI { 1959} (( segid " A" and resid 199 and name HB2 )) (( segid " A" and resid 200 and name HB2 )) 6.000 4.500 0.000 peak 1959 spectrum 1 weight 0.10000E+01 volume 0.12129E-02 ppm1 2.699 ppm2 2.196 CV 1 OR { 1959} (( segid " A" and resid 199 and name HB2 )) (( segid " A" and resid 203 and name HB1 )) OR { 1959} (( segid " A" and resid 199 and name HB2 )) (( segid " A" and resid 203 and name HB2 )) ASSI { 1960} (( segid " A" and resid 199 and name HB1 )) (( segid " A" and resid 203 and name HB1 )) 6.000 4.500 0.000 peak 1960 spectrum 1 weight 0.10000E+01 volume 0.96296E-03 ppm1 2.643 ppm2 2.201 CV 1 OR { 1960} (( segid " A" and resid 199 and name HB1 )) (( segid " A" and resid 200 and name HB2 )) OR { 1960} (( segid " A" and resid 199 and name HB1 )) (( segid " A" and resid 203 and name HB2 )) ASSI { 1961} (( segid " A" and resid 236 and name HB1 )) (( segid " A" and resid 256 and name HB1 )) 6.000 4.500 0.000 peak 1961 spectrum 1 weight 0.10000E+01 volume 0.24409E-02 ppm1 1.688 ppm2 2.187 CV 1 OR { 1961} (( segid " A" and resid 236 and name HB1 )) (( segid " A" and resid 258 and name HB1 )) ASSI { 1962} (( segid " A" and resid 236 and name HB2 )) (( segid " A" and resid 258 and name HB1 )) 6.000 4.500 0.000 peak 1962 spectrum 1 weight 0.10000E+01 volume 0.21458E-02 ppm1 1.497 ppm2 2.194 CV 1 OR { 1962} (( segid " A" and resid 236 and name HB2 )) (( segid " A" and resid 256 and name HB1 )) OR { 1962} (( segid " A" and resid 236 and name HB2 )) (( segid " A" and resid 258 and name HG1 )) ASSI { 1963} (( segid " A" and resid 258 and name HB2 )) (( segid " A" and resid 258 and name HB1 )) 6.000 4.500 0.000 peak 1963 spectrum 1 weight 0.10000E+01 volume 0.25469E-01 ppm1 1.948 ppm2 2.184 CV 1 ASSI { 1964} (( segid " A" and resid 259 and name HD2 )) (( segid " A" and resid 258 and name HG1 )) 6.000 4.500 0.000 peak 1964 spectrum 1 weight 0.10000E+01 volume 0.76816E-02 ppm1 1.746 ppm2 2.193 CV 1 OR { 1964} (( segid " A" and resid 259 and name HD1 )) (( segid " A" and resid 258 and name HG1 )) OR { 1964} (( segid " A" and resid 172 and name HB2 )) (( segid " A" and resid 171 and name HB1 )) OR { 1964} (( segid " A" and resid 259 and name HD2 )) (( segid " A" and resid 258 and name HB1 )) OR { 1964} (( segid " A" and resid 259 and name HD1 )) (( segid " A" and resid 258 and name HB1 )) ASSI { 1965} (( segid " A" and resid 151 and name HD2 )) (( segid " A" and resid 150 and name HB1 )) 6.000 4.500 0.000 peak 1965 spectrum 1 weight 0.10000E+01 volume 0.74384E-03 ppm1 1.316 ppm2 2.203 CV 1 OR { 1965} (( segid " A" and resid 197 and name HG11)) (( segid " A" and resid 200 and name HB2 )) ASSI { 1966} (( segid " A" and resid 259 and name HG1 )) (( segid " A" and resid 258 and name HG1 )) 6.000 4.500 0.000 peak 1966 spectrum 1 weight 0.10000E+01 volume 0.18064E-02 ppm1 1.576 ppm2 2.184 CV 1 OR { 1966} (( segid " A" and resid 259 and name HG1 )) (( segid " A" and resid 258 and name HB1 )) ASSI { 1967} (( segid " A" and resid 259 and name HG2 )) (( segid " A" and resid 258 and name HG1 )) 6.000 4.500 0.000 peak 1967 spectrum 1 weight 0.10000E+01 volume 0.36571E-02 ppm1 1.479 ppm2 2.193 CV 1 OR { 1967} (( segid " A" and resid 234 and name HG2 )) (( segid " A" and resid 258 and name HG1 )) OR { 1967} (( segid " A" and resid 259 and name HG2 )) (( segid " A" and resid 258 and name HB1 )) ASSI { 1968} (( segid " A" and resid 236 and name HG1 )) (( segid " A" and resid 258 and name HB1 )) 6.000 4.500 0.000 peak 1968 spectrum 1 weight 0.10000E+01 volume 0.43748E-02 ppm1 1.345 ppm2 2.184 CV 1 OR { 1968} (( segid " A" and resid 236 and name HG2 )) (( segid " A" and resid 258 and name HB1 )) OR { 1968} (( segid " A" and resid 236 and name HG2 )) (( segid " A" and resid 256 and name HG2 )) OR { 1968} (( segid " A" and resid 236 and name HG1 )) (( segid " A" and resid 256 and name HG2 )) OR { 1968} (( segid " A" and resid 236 and name HG2 )) (( segid " A" and resid 256 and name HB1 )) OR { 1968} (( segid " A" and resid 236 and name HG1 )) (( segid " A" and resid 258 and name HG1 )) ASSI { 1969} ( segid " A" and resid 162 and name HG1%) (( segid " A" and resid 162 and name HB )) 6.000 4.500 0.000 peak 1969 spectrum 1 weight 0.10000E+01 volume 0.18031E-01 ppm1 1.058 ppm2 2.205 CV 1 ASSI { 1970} ( segid " A" and resid 162 and name HG2%) (( segid " A" and resid 162 and name HB )) 6.000 4.500 0.000 peak 1970 spectrum 1 weight 0.10000E+01 volume 0.14075E-01 ppm1 0.778 ppm2 2.204 CV 1 ASSI { 1971} ( segid " A" and resid 165 and name HB% ) (( segid " A" and resid 162 and name HB )) 6.000 4.500 0.000 peak 1971 spectrum 1 weight 0.10000E+01 volume 0.12853E-02 ppm1 0.648 ppm2 2.206 CV 1 OR { 1971} ( segid " A" and resid 165 and name HB% ) (( segid " A" and resid 137 and name HG2 )) ASSI { 1972} ( segid " A" and resid 128 and name HG2%) (( segid " A" and resid 125 and name HG1 )) 6.000 4.500 0.000 peak 1972 spectrum 1 weight 0.10000E+01 volume 0.25155E-02 ppm1 0.536 ppm2 2.205 CV 1 OR { 1972} ( segid " A" and resid 138 and name HG2%) (( segid " A" and resid 125 and name HG1 )) OR { 1972} ( segid " A" and resid 128 and name HG2%) (( segid " A" and resid 125 and name HB1 )) OR { 1972} ( segid " A" and resid 128 and name HG2%) (( segid " A" and resid 125 and name HG2 )) OR { 1972} ( segid " A" and resid 138 and name HG2%) (( segid " A" and resid 125 and name HG2 )) OR { 1972} ( segid " A" and resid 138 and name HG2%) (( segid " A" and resid 125 and name HB1 )) ASSI { 1973} ( segid " A" and resid 141 and name HD1%) (( segid " A" and resid 125 and name HG1 )) 6.000 4.500 0.000 peak 1973 spectrum 1 weight 0.10000E+01 volume 0.82265E-02 ppm1 0.735 ppm2 2.205 CV 1 OR { 1973} ( segid " A" and resid 141 and name HD1%) (( segid " A" and resid 125 and name HG2 )) ASSI { 1974} ( segid " A" and resid 128 and name HD1%) (( segid " A" and resid 125 and name HB1 )) 6.000 4.500 0.000 peak 1974 spectrum 1 weight 0.10000E+01 volume 0.16507E-02 ppm1 0.483 ppm2 2.206 CV 1 OR { 1974} ( segid " A" and resid 128 and name HD1%) (( segid " A" and resid 125 and name HG1 )) OR { 1974} ( segid " A" and resid 128 and name HD1%) (( segid " A" and resid 125 and name HG2 )) ASSI { 1975} (( segid " A" and resid 127 and name HB )) (( segid " A" and resid 130 and name HB2 )) 6.000 4.500 0.000 peak 1975 spectrum 1 weight 0.10000E+01 volume 0.69660E-03 ppm1 4.170 ppm2 2.164 CV 1 OR { 1975} (( segid " A" and resid 127 and name HB )) (( segid " A" and resid 125 and name HB2 )) OR { 1975} (( segid " A" and resid 127 and name HB )) (( segid " A" and resid 130 and name HB1 )) ASSI { 1976} (( segid " A" and resid 127 and name HA )) (( segid " A" and resid 130 and name HB2 )) 6.000 4.500 0.000 peak 1976 spectrum 1 weight 0.10000E+01 volume 0.32538E-02 ppm1 3.989 ppm2 2.164 CV 1 ASSI { 1977} (( segid " A" and resid 257 and name HA )) (( segid " A" and resid 258 and name HG1 )) 6.000 4.500 0.000 peak 1977 spectrum 1 weight 0.10000E+01 volume 0.64461E-03 ppm1 4.846 ppm2 2.178 CV 1 OR { 1977} (( segid " A" and resid 257 and name HA )) (( segid " A" and resid 256 and name HG2 )) OR { 1977} (( segid " A" and resid 257 and name HA )) (( segid " A" and resid 256 and name HB1 )) ASSI { 1978} (( segid " A" and resid 130 and name HA )) (( segid " A" and resid 130 and name HB1 )) 6.000 4.500 0.000 peak 1978 spectrum 1 weight 0.10000E+01 volume 0.17275E-01 ppm1 4.038 ppm2 2.167 CV 1 OR { 1978} (( segid " A" and resid 204 and name HA )) (( segid " A" and resid 204 and name HB2 )) OR { 1978} (( segid " A" and resid 203 and name HA )) (( segid " A" and resid 203 and name HB1 )) OR { 1978} (( segid " A" and resid 203 and name HA )) (( segid " A" and resid 203 and name HB2 )) ASSI { 1979} (( segid " A" and resid 210 and name HA )) (( segid " A" and resid 256 and name HB1 )) 6.000 4.500 0.000 peak 1979 spectrum 1 weight 0.10000E+01 volume 0.53845E-03 ppm1 5.714 ppm2 2.167 CV 1 OR { 1979} (( segid " A" and resid 210 and name HA )) (( segid " A" and resid 256 and name HG2 )) ASSI { 1981} (( segid " A" and resid 206 and name HD2 )) (( segid " A" and resid 203 and name HB1 )) 6.000 4.500 0.000 peak 1981 spectrum 1 weight 0.10000E+01 volume 0.25977E-02 ppm1 3.265 ppm2 2.161 CV 1 OR { 1981} (( segid " A" and resid 206 and name HD1 )) (( segid " A" and resid 203 and name HB1 )) OR { 1981} (( segid " A" and resid 206 and name HD2 )) (( segid " A" and resid 203 and name HB2 )) OR { 1981} (( segid " A" and resid 206 and name HD1 )) (( segid " A" and resid 203 and name HB2 )) ASSI { 1982} (( segid " A" and resid 130 and name HG2 )) (( segid " A" and resid 130 and name HB1 )) 6.000 4.500 0.000 peak 1982 spectrum 1 weight 0.10000E+01 volume 0.15902E-01 ppm1 2.541 ppm2 2.176 CV 1 OR { 1982} (( segid " A" and resid 200 and name HG1 )) (( segid " A" and resid 200 and name HB2 )) ASSI { 1983} ( segid " A" and resid 168 and name HD1%) (( segid " A" and resid 167 and name HG1 )) 6.000 4.500 0.000 peak 1983 spectrum 1 weight 0.10000E+01 volume 0.38181E-02 ppm1 0.888 ppm2 2.156 CV 1 OR { 1983} ( segid " A" and resid 168 and name HD1%) (( segid " A" and resid 171 and name HB1 )) ASSI { 1984} ( segid " A" and resid 127 and name HG2%) (( segid " A" and resid 130 and name HB2 )) 6.000 4.500 0.000 peak 1984 spectrum 1 weight 0.10000E+01 volume 0.28733E-02 ppm1 1.317 ppm2 2.166 CV 1 OR { 1984} ( segid " A" and resid 127 and name HG2%) (( segid " A" and resid 130 and name HB1 )) ASSI { 1985} ( segid " A" and resid 286 and name HG1%) (( segid " A" and resid 167 and name HG1 )) 6.000 4.500 0.000 peak 1985 spectrum 1 weight 0.10000E+01 volume 0.41467E-02 ppm1 0.782 ppm2 2.157 CV 1 ASSI { 1986} ( segid " A" and resid 205 and name HB% ) (( segid " A" and resid 201 and name HB2 )) 6.000 4.500 0.000 peak 1986 spectrum 1 weight 0.10000E+01 volume 0.33014E-02 ppm1 1.146 ppm2 2.160 CV 1 OR { 1986} ( segid " A" and resid 207 and name HB% ) (( segid " A" and resid 204 and name HB2 )) OR { 1986} ( segid " A" and resid 205 and name HB% ) (( segid " A" and resid 204 and name HB2 )) OR { 1986} ( segid " A" and resid 205 and name HB% ) (( segid " A" and resid 203 and name HB2 )) ASSI { 1987} ( segid " A" and resid 119 and name HG2%) (( segid " A" and resid 122 and name HB2 )) 6.000 4.500 0.000 peak 1987 spectrum 1 weight 0.10000E+01 volume 0.71822E-03 ppm1 0.690 ppm2 2.178 CV 1 OR { 1987} ( segid " A" and resid 119 and name HG2%) (( segid " A" and resid 125 and name HB2 )) OR { 1987} ( segid " A" and resid 119 and name HG2%) (( segid " A" and resid 125 and name HB1 )) ASSI { 1988} ( segid " A" and resid 202 and name HB% ) (( segid " A" and resid 203 and name HB1 )) 6.000 4.500 0.000 peak 1988 spectrum 1 weight 0.10000E+01 volume 0.25977E-02 ppm1 1.558 ppm2 2.167 CV 1 OR { 1988} ( segid " A" and resid 202 and name HB% ) (( segid " A" and resid 203 and name HB2 )) ASSI { 1990} ( segid " A" and resid 133 and name HB% ) (( segid " A" and resid 130 and name HB1 )) 6.000 4.500 0.000 peak 1990 spectrum 1 weight 0.10000E+01 volume 0.18647E-02 ppm1 1.608 ppm2 2.162 CV 1 OR { 1990} ( segid " A" and resid 133 and name HB% ) (( segid " A" and resid 130 and name HB2 )) ASSI { 1992} (( segid " A" and resid 287 and name HB )) (( segid " A" and resid 163 and name HB2 )) 6.000 4.500 0.000 peak 1992 spectrum 1 weight 0.10000E+01 volume 0.10810E-02 ppm1 4.197 ppm2 2.128 CV 1 ASSI { 1993} (( segid " A" and resid 164 and name HA )) (( segid " A" and resid 163 and name HB2 )) 6.000 4.500 0.000 peak 1993 spectrum 1 weight 0.10000E+01 volume 0.62688E-03 ppm1 3.310 ppm2 2.156 CV 1 OR { 1993} (( segid " A" and resid 164 and name HA )) (( segid " A" and resid 167 and name HG1 )) ASSI { 1994} (( segid " A" and resid 167 and name HA )) (( segid " A" and resid 167 and name HG1 )) 6.000 4.500 0.000 peak 1994 spectrum 1 weight 0.10000E+01 volume 0.18788E-02 ppm1 3.698 ppm2 2.152 CV 1 ASSI { 1995} (( segid " A" and resid 122 and name HA )) (( segid " A" and resid 122 and name HB2 )) 6.000 4.500 0.000 peak 1995 spectrum 1 weight 0.10000E+01 volume 0.37295E-02 ppm1 4.134 ppm2 2.149 CV 1 ASSI { 1996} (( segid " A" and resid 288 and name HD2 )) (( segid " A" and resid 201 and name HB2 )) 6.000 4.500 0.000 peak 1996 spectrum 1 weight 0.10000E+01 volume 0.81551E-03 ppm1 3.932 ppm2 2.145 CV 1 ASSI { 1997} (( segid " A" and resid 108 and name HB1 )) (( segid " A" and resid 163 and name HB2 )) 6.000 4.500 0.000 peak 1997 spectrum 1 weight 0.10000E+01 volume 0.92264E-03 ppm1 1.788 ppm2 2.141 CV 1 ASSI { 1998} (( segid " A" and resid 122 and name HG1 )) (( segid " A" and resid 122 and name HB2 )) 6.000 4.500 0.000 peak 1998 spectrum 1 weight 0.10000E+01 volume 0.28539E-02 ppm1 1.819 ppm2 2.149 CV 1 ASSI { 1999} (( segid " A" and resid 122 and name HG2 )) (( segid " A" and resid 122 and name HB2 )) 6.000 4.500 0.000 peak 1999 spectrum 1 weight 0.10000E+01 volume 0.15858E-02 ppm1 1.733 ppm2 2.149 CV 1 ASSI { 2000} (( segid " A" and resid 278 and name HB1 )) (( segid " A" and resid 278 and name HB2 )) 6.000 4.500 0.000 peak 2000 spectrum 1 weight 0.10000E+01 volume 0.11707E-01 ppm1 1.939 ppm2 2.131 CV 1 ASSI { 2001} (( segid " A" and resid 122 and name HB1 )) (( segid " A" and resid 122 and name HB2 )) 6.000 4.500 0.000 peak 2001 spectrum 1 weight 0.10000E+01 volume 0.30495E-02 ppm1 1.549 ppm2 2.151 CV 1 ASSI { 2003} ( segid " A" and resid 201 and name HD1%) (( segid " A" and resid 201 and name HB2 )) 6.000 4.500 0.000 peak 2003 spectrum 1 weight 0.10000E+01 volume 0.39133E-02 ppm1 0.790 ppm2 2.130 CV 1 ASSI { 2004} ( segid " A" and resid 169 and name HB% ) (( segid " A" and resid 173 and name HB2 )) 6.000 4.500 0.000 peak 2004 spectrum 1 weight 0.10000E+01 volume 0.13956E-02 ppm1 1.345 ppm2 2.140 CV 1 ASSI { 2005} (( segid " A" and resid 163 and name HA )) (( segid " A" and resid 163 and name HB2 )) 6.000 4.500 0.000 peak 2005 spectrum 1 weight 0.10000E+01 volume 0.18701E-02 ppm1 4.135 ppm2 2.123 CV 1 ASSI { 2008} (( segid " A" and resid 278 and name HA )) (( segid " A" and resid 278 and name HB2 )) 6.000 4.500 0.000 peak 2008 spectrum 1 weight 0.10000E+01 volume 0.48354E-02 ppm1 4.328 ppm2 2.127 CV 1 ASSI { 2009} (( segid " A" and resid 288 and name HD2 )) (( segid " A" and resid 201 and name HB2 )) 6.000 4.500 0.000 peak 2009 spectrum 1 weight 0.10000E+01 volume 0.79389E-03 ppm1 3.919 ppm2 2.124 CV 1 ASSI { 2010} (( segid " A" and resid 201 and name HB1 )) (( segid " A" and resid 201 and name HB2 )) 6.000 4.500 0.000 peak 2010 spectrum 1 weight 0.10000E+01 volume 0.11145E-02 ppm1 1.459 ppm2 2.126 CV 1 ASSI { 2011} (( segid " A" and resid 163 and name HB1 )) (( segid " A" and resid 163 and name HB2 )) 6.000 4.500 0.000 peak 2011 spectrum 1 weight 0.10000E+01 volume 0.41684E-02 ppm1 1.697 ppm2 2.112 CV 1 ASSI { 2012} ( segid " A" and resid 280 and name HD2%) (( segid " A" and resid 275 and name HB2 )) 6.000 4.500 0.000 peak 2012 spectrum 1 weight 0.10000E+01 volume 0.32074E-02 ppm1 0.868 ppm2 2.119 CV 1 OR { 2012} ( segid " A" and resid 280 and name HD2%) (( segid " A" and resid 278 and name HB2 )) ASSI { 2013} ( segid " A" and resid 286 and name HG2%) (( segid " A" and resid 163 and name HB2 )) 6.000 4.500 0.000 peak 2013 spectrum 1 weight 0.10000E+01 volume 0.42916E-02 ppm1 0.551 ppm2 2.127 CV 1 ASSI { 2018} (( segid " A" and resid 275 and name HB1 )) (( segid " A" and resid 275 and name HB2 )) 6.000 4.500 0.000 peak 2018 spectrum 1 weight 0.10000E+01 volume 0.15804E-02 ppm1 1.450 ppm2 2.098 CV 1 ASSI { 2019} (( segid " A" and resid 230 and name HB1 )) (( segid " A" and resid 230 and name HB2 )) 6.000 4.500 0.000 peak 2019 spectrum 1 weight 0.10000E+01 volume 0.13361E-01 ppm1 2.285 ppm2 2.089 CV 1 ASSI { 2020} (( segid " A" and resid 275 and name HG )) (( segid " A" and resid 275 and name HB2 )) 6.000 4.500 0.000 peak 2020 spectrum 1 weight 0.10000E+01 volume 0.22842E-02 ppm1 1.587 ppm2 2.092 CV 1 ASSI { 2021} ( segid " A" and resid 275 and name HD2%) (( segid " A" and resid 275 and name HB2 )) 6.000 4.500 0.000 peak 2021 spectrum 1 weight 0.10000E+01 volume 0.44192E-02 ppm1 0.968 ppm2 2.091 CV 1 ASSI { 2022} ( segid " A" and resid 275 and name HD1%) (( segid " A" and resid 275 and name HB2 )) 6.000 4.500 0.000 peak 2022 spectrum 1 weight 0.10000E+01 volume 0.51099E-02 ppm1 1.043 ppm2 2.089 CV 1 ASSI { 2023} ( segid " A" and resid 114 and name HG2%) (( segid " A" and resid 114 and name HB )) 6.000 4.500 0.000 peak 2023 spectrum 1 weight 0.10000E+01 volume 0.12118E-01 ppm1 0.921 ppm2 2.094 CV 1 ASSI { 2024} ( segid " A" and resid 228 and name HG1%) (( segid " A" and resid 228 and name HB )) 6.000 4.500 0.000 peak 2024 spectrum 1 weight 0.10000E+01 volume 0.17318E-01 ppm1 0.985 ppm2 2.081 CV 1 OR { 2024} ( segid " A" and resid 282 and name HG1%) (( segid " A" and resid 270 and name HB2 )) ASSI { 2025} ( segid " A" and resid 228 and name HG2%) (( segid " A" and resid 228 and name HB )) 6.000 4.500 0.000 peak 2025 spectrum 1 weight 0.10000E+01 volume 0.51013E-02 ppm1 0.473 ppm2 2.075 CV 1 ASSI { 2026} ( segid " A" and resid 116 and name HG1%) (( segid " A" and resid 114 and name HB )) 6.000 4.500 0.000 peak 2026 spectrum 1 weight 0.10000E+01 volume 0.12042E-02 ppm1 0.288 ppm2 2.076 CV 1 ASSI { 2027} ( segid " A" and resid 158 and name HG2%) (( segid " A" and resid 114 and name HB )) 6.000 4.500 0.000 peak 2027 spectrum 1 weight 0.10000E+01 volume 0.13577E-02 ppm1 0.031 ppm2 2.080 CV 1 ASSI { 2029} (( segid " A" and resid 245 and name HB )) (( segid " A" and resid 244 and name HG2 )) 6.000 4.500 0.000 peak 2029 spectrum 1 weight 0.10000E+01 volume 0.55304E-03 ppm1 4.274 ppm2 2.061 CV 1 ASSI { 2031} (( segid " A" and resid 140 and name HB1 )) (( segid " A" and resid 159 and name HB2 )) 6.000 4.500 0.000 peak 2031 spectrum 1 weight 0.10000E+01 volume 0.91021E-03 ppm1 3.744 ppm2 2.046 CV 1 OR { 2031} (( segid " A" and resid 140 and name HB1 )) (( segid " A" and resid 159 and name HG1 )) ASSI { 2032} (( segid " A" and resid 245 and name HA )) (( segid " A" and resid 244 and name HG2 )) 6.000 4.500 0.000 peak 2032 spectrum 1 weight 0.10000E+01 volume 0.10422E-02 ppm1 4.206 ppm2 2.056 CV 1 ASSI { 2035} (( segid " A" and resid 225 and name HA )) (( segid " A" and resid 228 and name HB )) 6.000 4.500 0.000 peak 2035 spectrum 1 weight 0.10000E+01 volume 0.11015E-02 ppm1 3.829 ppm2 2.050 CV 1 OR { 2035} (( segid " A" and resid 225 and name HA )) (( segid " A" and resid 270 and name HB2 )) ASSI { 2036} (( segid " A" and resid 227 and name HA )) (( segid " A" and resid 230 and name HB2 )) 6.000 4.500 0.000 peak 2036 spectrum 1 weight 0.10000E+01 volume 0.10547E-02 ppm1 4.213 ppm2 2.069 CV 1 ASSI { 2038} (( segid " A" and resid 244 and name HD2 )) (( segid " A" and resid 244 and name HG1 )) 6.000 4.500 0.000 peak 2038 spectrum 1 weight 0.10000E+01 volume 0.37857E-02 ppm1 4.075 ppm2 2.061 CV 1 ASSI { 2039} (( segid " A" and resid 244 and name HD1 )) (( segid " A" and resid 244 and name HG2 )) 6.000 4.500 0.000 peak 2039 spectrum 1 weight 0.10000E+01 volume 0.44581E-02 ppm1 3.991 ppm2 2.062 CV 1 OR { 2039} (( segid " A" and resid 244 and name HD1 )) (( segid " A" and resid 244 and name HG1 )) ASSI { 2041} (( segid " A" and resid 230 and name HG1 )) (( segid " A" and resid 230 and name HB2 )) 6.000 4.500 0.000 peak 2041 spectrum 1 weight 0.10000E+01 volume 0.38960E-02 ppm1 2.557 ppm2 2.070 CV 1 OR { 2041} (( segid " A" and resid 230 and name HG2 )) (( segid " A" and resid 230 and name HB2 )) ASSI { 2043} ( segid " A" and resid 267 and name HG2%) (( segid " A" and resid 267 and name HB )) 6.000 4.500 0.000 peak 2043 spectrum 1 weight 0.10000E+01 volume 0.16831E-01 ppm1 0.990 ppm2 2.055 CV 1 ASSI { 2044} ( segid " A" and resid 267 and name HG1%) (( segid " A" and resid 267 and name HB )) 6.000 4.500 0.000 peak 2044 spectrum 1 weight 0.10000E+01 volume 0.14626E-01 ppm1 0.974 ppm2 2.073 CV 1 ASSI { 2045} ( segid " A" and resid 245 and name HG2%) (( segid " A" and resid 244 and name HG2 )) 6.000 4.500 0.000 peak 2045 spectrum 1 weight 0.10000E+01 volume 0.50310E-02 ppm1 1.234 ppm2 2.057 CV 1 ASSI { 2046} ( segid " A" and resid 176 and name HG1%) (( segid " A" and resid 176 and name HB )) 6.000 4.500 0.000 peak 2046 spectrum 1 weight 0.10000E+01 volume 0.16561E-01 ppm1 1.017 ppm2 2.065 CV 1 ASSI { 2048} ( segid " A" and resid 176 and name HG2%) (( segid " A" and resid 176 and name HB )) 6.000 4.500 0.000 peak 2048 spectrum 1 weight 0.10000E+01 volume 0.18096E-01 ppm1 0.889 ppm2 2.068 CV 1 ASSI { 2049} ( segid " A" and resid 158 and name HG1%) (( segid " A" and resid 114 and name HB )) 6.000 4.500 0.000 peak 2049 spectrum 1 weight 0.10000E+01 volume 0.16507E-02 ppm1 0.130 ppm2 2.068 CV 1 ASSI { 2050} ( segid " A" and resid 235 and name HD1%) (( segid " A" and resid 230 and name HB2 )) 6.000 4.500 0.000 peak 2050 spectrum 1 weight 0.10000E+01 volume 0.29555E-02 ppm1 0.677 ppm2 2.059 CV 1 ASSI { 2051} ( segid " A" and resid 225 and name HD1%) (( segid " A" and resid 228 and name HB )) 6.000 4.500 0.000 peak 2051 spectrum 1 weight 0.10000E+01 volume 0.19761E-02 ppm1 0.633 ppm2 2.048 CV 1 OR { 2051} ( segid " A" and resid 225 and name HD1%) (( segid " A" and resid 270 and name HB2 )) OR { 2051} ( segid " A" and resid 225 and name HD1%) (( segid " A" and resid 134 and name HB2 )) ASSI { 2052} (( segid " A" and resid 134 and name HA )) (( segid " A" and resid 134 and name HB2 )) 6.000 4.500 0.000 peak 2052 spectrum 1 weight 0.10000E+01 volume 0.20680E-02 ppm1 4.024 ppm2 2.034 CV 1 ASSI { 2053} (( segid " A" and resid 244 and name HA )) (( segid " A" and resid 244 and name HG1 )) 6.000 4.500 0.000 peak 2053 spectrum 1 weight 0.10000E+01 volume 0.69595E-02 ppm1 4.383 ppm2 2.040 CV 1 OR { 2053} (( segid " A" and resid 244 and name HA )) (( segid " A" and resid 244 and name HG2 )) ASSI { 2054} (( segid " A" and resid 171 and name HA )) (( segid " A" and resid 171 and name HB2 )) 6.000 4.500 0.000 peak 2054 spectrum 1 weight 0.10000E+01 volume 0.72925E-02 ppm1 4.047 ppm2 2.035 CV 1 ASSI { 2055} (( segid " A" and resid 113 and name HA )) (( segid " A" and resid 159 and name HB2 )) 6.000 4.500 0.000 peak 2055 spectrum 1 weight 0.10000E+01 volume 0.91161E-03 ppm1 5.368 ppm2 2.022 CV 1 ASSI { 2056} (( segid " A" and resid 159 and name HA )) (( segid " A" and resid 159 and name HB2 )) 6.000 4.500 0.000 peak 2056 spectrum 1 weight 0.10000E+01 volume 0.22063E-02 ppm1 5.018 ppm2 2.035 CV 1 OR { 2056} (( segid " A" and resid 159 and name HA )) (( segid " A" and resid 159 and name HG2 )) ASSI { 2057} (( segid " A" and resid 196 and name HD1 )) (( segid " A" and resid 196 and name HG1 )) 6.000 4.500 0.000 peak 2057 spectrum 1 weight 0.10000E+01 volume 0.27036E-02 ppm1 3.502 ppm2 2.036 CV 1 ASSI { 2058} (( segid " A" and resid 113 and name HD2 )) (( segid " A" and resid 159 and name HB2 )) 6.000 4.500 0.000 peak 2058 spectrum 1 weight 0.10000E+01 volume 0.12205E-02 ppm1 3.074 ppm2 2.024 CV 1 OR { 2058} (( segid " A" and resid 113 and name HD2 )) (( segid " A" and resid 159 and name HG2 )) ASSI { 2059} (( segid " A" and resid 250 and name HE2 )) (( segid " A" and resid 137 and name HB2 )) 6.000 4.500 0.000 peak 2059 spectrum 1 weight 0.10000E+01 volume 0.29479E-02 ppm1 2.933 ppm2 2.027 CV 1 ASSI { 2060} (( segid " A" and resid 272 and name HB1 )) (( segid " A" and resid 272 and name HB2 )) 6.000 4.500 0.000 peak 2060 spectrum 1 weight 0.10000E+01 volume 0.32701E-02 ppm1 1.556 ppm2 2.033 CV 1 ASSI { 2061} (( segid " A" and resid 172 and name HG2 )) (( segid " A" and resid 171 and name HB2 )) 6.000 4.500 0.000 peak 2061 spectrum 1 weight 0.10000E+01 volume 0.58018E-03 ppm1 2.771 ppm2 2.039 CV 1 ASSI { 2062} (( segid " A" and resid 139 and name HB1 )) (( segid " A" and resid 159 and name HG1 )) 6.000 4.500 0.000 peak 2062 spectrum 1 weight 0.10000E+01 volume 0.11491E-02 ppm1 1.412 ppm2 2.030 CV 1 OR { 2062} (( segid " A" and resid 139 and name HB1 )) (( segid " A" and resid 159 and name HB2 )) ASSI { 2063} (( segid " A" and resid 244 and name HB1 )) (( segid " A" and resid 244 and name HB2 )) 6.000 4.500 0.000 peak 2063 spectrum 1 weight 0.10000E+01 volume 0.18604E-01 ppm1 2.344 ppm2 2.040 CV 1 OR { 2063} (( segid " A" and resid 244 and name HB1 )) (( segid " A" and resid 244 and name HG2 )) ASSI { 2064} (( segid " A" and resid 134 and name HB1 )) (( segid " A" and resid 134 and name HB2 )) 6.000 4.500 0.000 peak 2064 spectrum 1 weight 0.10000E+01 volume 0.93107E-03 ppm1 0.286 ppm2 2.033 CV 1 ASSI { 2065} (( segid " A" and resid 112 and name HB1 )) (( segid " A" and resid 159 and name HG2 )) 6.000 4.500 0.000 peak 2065 spectrum 1 weight 0.10000E+01 volume 0.68385E-03 ppm1 3.546 ppm2 2.023 CV 1 OR { 2065} (( segid " A" and resid 112 and name HB1 )) (( segid " A" and resid 159 and name HG1 )) ASSI { 2066} (( segid " A" and resid 272 and name HG )) (( segid " A" and resid 272 and name HB2 )) 6.000 4.500 0.000 peak 2066 spectrum 1 weight 0.10000E+01 volume 0.34192E-02 ppm1 1.507 ppm2 2.032 CV 1 ASSI { 2068} ( segid " A" and resid 272 and name HD1%) (( segid " A" and resid 272 and name HB2 )) 6.000 4.500 0.000 peak 2068 spectrum 1 weight 0.10000E+01 volume 0.19231E-01 ppm1 0.801 ppm2 2.033 CV 1 ASSI { 2069} (( segid " A" and resid 139 and name HG1 )) (( segid " A" and resid 159 and name HG1 )) 6.000 4.500 0.000 peak 2069 spectrum 1 weight 0.10000E+01 volume 0.11275E-02 ppm1 1.295 ppm2 2.030 CV 1 OR { 2069} (( segid " A" and resid 139 and name HG1 )) (( segid " A" and resid 159 and name HB2 )) OR { 2069} (( segid " A" and resid 139 and name HG1 )) (( segid " A" and resid 159 and name HG2 )) ASSI { 2070} ( segid " A" and resid 272 and name HD2%) (( segid " A" and resid 272 and name HB2 )) 6.000 4.500 0.000 peak 2070 spectrum 1 weight 0.10000E+01 volume 0.89940E-02 ppm1 0.701 ppm2 2.031 CV 1 ASSI { 2071} (( segid " A" and resid 287 and name HB )) (( segid " A" and resid 163 and name HG1 )) 6.000 4.500 0.000 peak 2071 spectrum 1 weight 0.10000E+01 volume 0.11102E-02 ppm1 4.193 ppm2 1.995 CV 1 ASSI { 2073} (( segid " A" and resid 197 and name HA )) (( segid " A" and resid 197 and name HB )) 6.000 4.500 0.000 peak 2073 spectrum 1 weight 0.10000E+01 volume 0.17015E-02 ppm1 3.871 ppm2 2.001 CV 1 ASSI { 2075} (( segid " A" and resid 217 and name HA )) (( segid " A" and resid 220 and name HB1 )) 6.000 4.500 0.000 peak 2075 spectrum 1 weight 0.10000E+01 volume 0.30030E-02 ppm1 3.865 ppm2 1.993 CV 1 OR { 2075} (( segid " A" and resid 119 and name HA )) (( segid " A" and resid 183 and name HB )) ASSI { 2077} (( segid " A" and resid 194 and name HA )) (( segid " A" and resid 197 and name HB )) 6.000 4.500 0.000 peak 2077 spectrum 1 weight 0.10000E+01 volume 0.15642E-02 ppm1 4.493 ppm2 1.999 CV 1 ASSI { 2078} (( segid " A" and resid 137 and name HD2 )) (( segid " A" and resid 161 and name HB1 )) 6.000 4.500 0.000 peak 2078 spectrum 1 weight 0.10000E+01 volume 0.62980E-03 ppm1 3.183 ppm2 1.999 CV 1 ASSI { 2079} (( segid " A" and resid 113 and name HD1 )) (( segid " A" and resid 159 and name HB2 )) 6.000 4.500 0.000 peak 2079 spectrum 1 weight 0.10000E+01 volume 0.86708E-03 ppm1 2.907 ppm2 2.015 CV 1 OR { 2079} (( segid " A" and resid 113 and name HD1 )) (( segid " A" and resid 159 and name HG2 )) ASSI { 2080} (( segid " A" and resid 259 and name HE1 )) (( segid " A" and resid 259 and name HB1 )) 6.000 4.500 0.000 peak 2080 spectrum 1 weight 0.10000E+01 volume 0.34463E-02 ppm1 3.044 ppm2 1.992 CV 1 OR { 2080} (( segid " A" and resid 259 and name HE2 )) (( segid " A" and resid 259 and name HB1 )) ASSI { 2081} (( segid " A" and resid 139 and name HB2 )) (( segid " A" and resid 159 and name HG1 )) 6.000 4.500 0.000 peak 2081 spectrum 1 weight 0.10000E+01 volume 0.14194E-02 ppm1 1.526 ppm2 2.015 CV 1 OR { 2081} (( segid " A" and resid 139 and name HB2 )) (( segid " A" and resid 159 and name HB2 )) OR { 2081} (( segid " A" and resid 139 and name HB2 )) (( segid " A" and resid 159 and name HG2 )) ASSI { 2082} (( segid " A" and resid 159 and name HB1 )) (( segid " A" and resid 159 and name HB2 )) 6.000 4.500 0.000 peak 2082 spectrum 1 weight 0.10000E+01 volume 0.55575E-02 ppm1 1.691 ppm2 2.007 CV 1 OR { 2082} (( segid " A" and resid 163 and name HB1 )) (( segid " A" and resid 163 and name HG1 )) ASSI { 2083} (( segid " A" and resid 196 and name HB1 )) (( segid " A" and resid 196 and name HG2 )) 6.000 4.500 0.000 peak 2083 spectrum 1 weight 0.10000E+01 volume 0.37965E-02 ppm1 1.754 ppm2 2.004 CV 1 ASSI { 2085} (( segid " A" and resid 197 and name HG11)) (( segid " A" and resid 197 and name HB )) 6.000 4.500 0.000 peak 2085 spectrum 1 weight 0.10000E+01 volume 0.25739E-02 ppm1 1.316 ppm2 1.992 CV 1 ASSI { 2086} (( segid " A" and resid 128 and name HG11)) (( segid " A" and resid 128 and name HB )) 6.000 4.500 0.000 peak 2086 spectrum 1 weight 0.10000E+01 volume 0.15739E-02 ppm1 1.209 ppm2 1.995 CV 1 OR { 2086} (( segid " A" and resid 128 and name HG12)) (( segid " A" and resid 128 and name HB )) ASSI { 2088} (( segid " A" and resid 259 and name HG2 )) (( segid " A" and resid 259 and name HB1 )) 6.000 4.500 0.000 peak 2088 spectrum 1 weight 0.10000E+01 volume 0.49445E-02 ppm1 1.481 ppm2 1.993 CV 1 ASSI { 2089} ( segid " A" and resid 240 and name HD2%) (( segid " A" and resid 220 and name HB1 )) 6.000 4.500 0.000 peak 2089 spectrum 1 weight 0.10000E+01 volume 0.65444E-03 ppm1 0.085 ppm2 2.000 CV 1 OR { 2089} ( segid " A" and resid 240 and name HD2%) (( segid " A" and resid 226 and name HB1 )) OR { 2089} ( segid " A" and resid 240 and name HD2%) (( segid " A" and resid 226 and name HB2 )) ASSI { 2090} ( segid " A" and resid 183 and name HG2%) (( segid " A" and resid 183 and name HB )) 6.000 4.500 0.000 peak 2090 spectrum 1 weight 0.10000E+01 volume 0.12399E-01 ppm1 0.950 ppm2 2.007 CV 1 ASSI { 2091} ( segid " A" and resid 211 and name HD1%) (( segid " A" and resid 211 and name HB )) 6.000 4.500 0.000 peak 2091 spectrum 1 weight 0.10000E+01 volume 0.35079E-02 ppm1 0.737 ppm2 1.992 CV 1 ASSI { 2092} ( segid " A" and resid 183 and name HD1%) (( segid " A" and resid 183 and name HB )) 6.000 4.500 0.000 peak 2092 spectrum 1 weight 0.10000E+01 volume 0.73595E-02 ppm1 0.861 ppm2 2.011 CV 1 ASSI { 2093} ( segid " A" and resid 119 and name HD1%) (( segid " A" and resid 128 and name HB )) 6.000 4.500 0.000 peak 2093 spectrum 1 weight 0.10000E+01 volume 0.77335E-03 ppm1 0.243 ppm2 2.015 CV 1 OR { 2093} ( segid " A" and resid 119 and name HD1%) (( segid " A" and resid 183 and name HB )) ASSI { 2094} ( segid " A" and resid 197 and name HD1%) (( segid " A" and resid 197 and name HB )) 6.000 4.500 0.000 peak 2094 spectrum 1 weight 0.10000E+01 volume 0.10298E-01 ppm1 0.786 ppm2 1.997 CV 1 ASSI { 2095} ( segid " A" and resid 128 and name HD1%) (( segid " A" and resid 128 and name HB )) 6.000 4.500 0.000 peak 2095 spectrum 1 weight 0.10000E+01 volume 0.39024E-02 ppm1 0.485 ppm2 1.996 CV 1 ASSI { 2097} (( segid " A" and resid 163 and name HA )) (( segid " A" and resid 163 and name HG1 )) 6.000 4.500 0.000 peak 2097 spectrum 1 weight 0.10000E+01 volume 0.12442E-02 ppm1 4.134 ppm2 1.976 CV 1 OR { 2097} (( segid " A" and resid 163 and name HA )) ( segid " A" and resid 111 and name HE% ) ASSI { 2099} (( segid " A" and resid 286 and name HA )) (( segid " A" and resid 284 and name HB2 )) 6.000 4.500 0.000 peak 2099 spectrum 1 weight 0.10000E+01 volume 0.11978E-02 ppm1 4.505 ppm2 1.967 CV 1 OR { 2099} (( segid " A" and resid 286 and name HA )) ( segid " A" and resid 111 and name HE% ) OR { 2099} (( segid " A" and resid 286 and name HA )) (( segid " A" and resid 167 and name HB1 )) ASSI { 2100} (( segid " A" and resid 125 and name HA )) (( segid " A" and resid 129 and name HB2 )) 6.000 4.500 0.000 peak 2100 spectrum 1 weight 0.10000E+01 volume 0.46137E-02 ppm1 3.707 ppm2 1.966 CV 1 ASSI { 2103} (( segid " A" and resid 162 and name HA )) (( segid " A" and resid 163 and name HG1 )) 6.000 4.500 0.000 peak 2103 spectrum 1 weight 0.10000E+01 volume 0.12572E-02 ppm1 4.857 ppm2 1.978 CV 1 OR { 2103} (( segid " A" and resid 162 and name HA )) (( segid " A" and resid 161 and name HB1 )) ASSI { 2104} (( segid " A" and resid 284 and name HA )) (( segid " A" and resid 284 and name HB2 )) 6.000 4.500 0.000 peak 2104 spectrum 1 weight 0.10000E+01 volume 0.45694E-02 ppm1 4.398 ppm2 1.980 CV 1 ASSI { 2105} (( segid " A" and resid 207 and name HA )) (( segid " A" and resid 206 and name HB1 )) 6.000 4.500 0.000 peak 2105 spectrum 1 weight 0.10000E+01 volume 0.99215E-03 ppm1 4.109 ppm2 1.985 CV 1 OR { 2105} (( segid " A" and resid 207 and name HA )) (( segid " A" and resid 206 and name HB2 )) ASSI { 2106} (( segid " A" and resid 206 and name HD2 )) (( segid " A" and resid 206 and name HB1 )) 6.000 4.500 0.000 peak 2106 spectrum 1 weight 0.10000E+01 volume 0.29263E-01 ppm1 3.265 ppm2 1.988 CV 1 OR { 2106} (( segid " A" and resid 206 and name HD1 )) (( segid " A" and resid 206 and name HB2 )) OR { 2106} (( segid " A" and resid 206 and name HD2 )) (( segid " A" and resid 206 and name HB2 )) OR { 2106} (( segid " A" and resid 206 and name HD1 )) (( segid " A" and resid 206 and name HB1 )) ASSI { 2107} (( segid " A" and resid 220 and name HB2 )) (( segid " A" and resid 220 and name HB1 )) 6.000 4.500 0.000 peak 2107 spectrum 1 weight 0.10000E+01 volume 0.85194E-03 ppm1 1.281 ppm2 1.986 CV 1 ASSI { 2108} (( segid " A" and resid 226 and name HE2 )) (( segid " A" and resid 226 and name HB2 )) 6.000 4.500 0.000 peak 2108 spectrum 1 weight 0.10000E+01 volume 0.35846E-02 ppm1 2.840 ppm2 1.970 CV 1 OR { 2108} (( segid " A" and resid 226 and name HE1 )) (( segid " A" and resid 226 and name HB1 )) OR { 2108} (( segid " A" and resid 226 and name HE2 )) (( segid " A" and resid 226 and name HB1 )) ASSI { 2109} (( segid " A" and resid 226 and name HD2 )) (( segid " A" and resid 226 and name HB1 )) 6.000 4.500 0.000 peak 2109 spectrum 1 weight 0.10000E+01 volume 0.56515E-02 ppm1 1.639 ppm2 1.980 CV 1 OR { 2109} (( segid " A" and resid 226 and name HD1 )) (( segid " A" and resid 226 and name HB2 )) OR { 2109} (( segid " A" and resid 226 and name HD1 )) (( segid " A" and resid 226 and name HB1 )) ASSI { 2110} (( segid " A" and resid 197 and name HG12)) (( segid " A" and resid 197 and name HB )) 6.000 4.500 0.000 peak 2110 spectrum 1 weight 0.10000E+01 volume 0.42916E-02 ppm1 1.468 ppm2 1.983 CV 1 ASSI { 2111} (( segid " A" and resid 206 and name HG2 )) (( segid " A" and resid 206 and name HG1 )) 6.000 4.500 0.000 peak 2111 spectrum 1 weight 0.10000E+01 volume 0.24301E-01 ppm1 1.747 ppm2 1.988 CV 1 ASSI { 2112} ( segid " A" and resid 220 and name HD2%) (( segid " A" and resid 220 and name HB1 )) 6.000 4.500 0.000 peak 2112 spectrum 1 weight 0.10000E+01 volume 0.27004E-02 ppm1 0.903 ppm2 1.982 CV 1 ASSI { 2113} (( segid " A" and resid 284 and name HG2 )) (( segid " A" and resid 284 and name HB2 )) 6.000 4.500 0.000 peak 2113 spectrum 1 weight 0.10000E+01 volume 0.63358E-02 ppm1 1.543 ppm2 1.983 CV 1 OR { 2113} (( segid " A" and resid 284 and name HG1 )) (( segid " A" and resid 284 and name HB2 )) ASSI { 2114} (( segid " A" and resid 226 and name HG1 )) (( segid " A" and resid 226 and name HB1 )) 6.000 4.500 0.000 peak 2114 spectrum 1 weight 0.10000E+01 volume 0.92967E-03 ppm1 1.189 ppm2 1.965 CV 1 OR { 2114} (( segid " A" and resid 226 and name HG1 )) (( segid " A" and resid 226 and name HB2 )) ASSI { 2115} ( segid " A" and resid 108 and name HD2%) (( segid " A" and resid 163 and name HG1 )) 6.000 4.500 0.000 peak 2115 spectrum 1 weight 0.10000E+01 volume 0.11772E-01 ppm1 0.869 ppm2 1.971 CV 1 OR { 2115} ( segid " A" and resid 108 and name HD2%) ( segid " A" and resid 111 and name HE% ) ASSI { 2116} ( segid " A" and resid 220 and name HD1%) (( segid " A" and resid 220 and name HB1 )) 6.000 4.500 0.000 peak 2116 spectrum 1 weight 0.10000E+01 volume 0.29912E-02 ppm1 0.693 ppm2 1.985 CV 1 ASSI { 2117} ( segid " A" and resid 287 and name HG2%) ( segid " A" and resid 111 and name HE% ) 6.000 4.500 0.000 peak 2117 spectrum 1 weight 0.10000E+01 volume 0.11794E-01 ppm1 1.079 ppm2 1.969 CV 1 ASSI { 2118} ( segid " A" and resid 286 and name HG1%) (( segid " A" and resid 167 and name HB1 )) 6.000 4.500 0.000 peak 2118 spectrum 1 weight 0.10000E+01 volume 0.66341E-02 ppm1 0.782 ppm2 1.968 CV 1 OR { 2118} ( segid " A" and resid 286 and name HG1%) (( segid " A" and resid 167 and name HB2 )) ASSI { 2119} ( segid " A" and resid 213 and name HG1%) (( segid " A" and resid 270 and name HG2 )) 6.000 4.500 0.000 peak 2119 spectrum 1 weight 0.10000E+01 volume 0.21793E-02 ppm1 0.341 ppm2 1.965 CV 1 OR { 2119} ( segid " A" and resid 213 and name HG1%) (( segid " A" and resid 270 and name HB1 )) OR { 2119} ( segid " A" and resid 213 and name HG1%) (( segid " A" and resid 211 and name HB )) ASSI { 2120} ( segid " A" and resid 162 and name HG2%) (( segid " A" and resid 161 and name HB1 )) 6.000 4.500 0.000 peak 2120 spectrum 1 weight 0.10000E+01 volume 0.42019E-02 ppm1 0.777 ppm2 1.979 CV 1 OR { 2120} ( segid " A" and resid 162 and name HG2%) (( segid " A" and resid 163 and name HG1 )) ASSI { 2121} ( segid " A" and resid 266 and name HB% ) (( segid " A" and resid 270 and name HG2 )) 6.000 4.500 0.000 peak 2121 spectrum 1 weight 0.10000E+01 volume 0.21534E-02 ppm1 1.249 ppm2 1.964 CV 1 OR { 2121} ( segid " A" and resid 266 and name HB% ) (( segid " A" and resid 270 and name HB1 )) ASSI { 2122} ( segid " A" and resid 286 and name HG2%) ( segid " A" and resid 111 and name HE% ) 6.000 4.500 0.000 peak 2122 spectrum 1 weight 0.10000E+01 volume 0.12983E-01 ppm1 0.551 ppm2 1.965 CV 1 ASSI { 2123} ( segid " A" and resid 205 and name HB% ) (( segid " A" and resid 206 and name HB2 )) 6.000 4.500 0.000 peak 2123 spectrum 1 weight 0.10000E+01 volume 0.61790E-02 ppm1 1.145 ppm2 1.984 CV 1 OR { 2123} ( segid " A" and resid 205 and name HB% ) (( segid " A" and resid 206 and name HB1 )) ASSI { 2124} ( segid " A" and resid 197 and name HG2%) (( segid " A" and resid 197 and name HB )) 6.000 4.500 0.000 peak 2124 spectrum 1 weight 0.10000E+01 volume 0.13945E-01 ppm1 0.875 ppm2 1.987 CV 1 ASSI { 2125} ( segid " A" and resid 202 and name HB% ) ( segid " A" and resid 111 and name HE% ) 6.000 4.500 0.000 peak 2125 spectrum 1 weight 0.10000E+01 volume 0.28690E-02 ppm1 1.559 ppm2 1.971 CV 1 ASSI { 2126} ( segid " A" and resid 128 and name HG2%) (( segid " A" and resid 128 and name HB )) 6.000 4.500 0.000 peak 2126 spectrum 1 weight 0.10000E+01 volume 0.87605E-02 ppm1 0.535 ppm2 1.991 CV 1 ASSI { 2128} ( segid " A" and resid 198 and name HG2%) (( segid " A" and resid 198 and name HB )) 6.000 4.500 0.000 peak 2128 spectrum 1 weight 0.10000E+01 volume 0.12983E-01 ppm1 0.922 ppm2 1.980 CV 1 ASSI { 2130} ( segid " A" and resid 225 and name HD1%) (( segid " A" and resid 220 and name HB1 )) 6.000 4.500 0.000 peak 2130 spectrum 1 weight 0.10000E+01 volume 0.18561E-02 ppm1 0.634 ppm2 1.983 CV 1 ASSI { 2131} (( segid " A" and resid 287 and name HA )) ( segid " A" and resid 111 and name HE% ) 6.000 4.500 0.000 peak 2131 spectrum 1 weight 0.10000E+01 volume 0.97961E-03 ppm1 4.649 ppm2 1.940 CV 1 ASSI { 2132} (( segid " A" and resid 223 and name HA )) (( segid " A" and resid 226 and name HB1 )) 6.000 4.500 0.000 peak 2132 spectrum 1 weight 0.10000E+01 volume 0.67368E-02 ppm1 4.347 ppm2 1.959 CV 1 OR { 2132} (( segid " A" and resid 223 and name HA )) (( segid " A" and resid 226 and name HB2 )) OR { 2132} (( segid " A" and resid 126 and name HA )) (( segid " A" and resid 129 and name HB2 )) ASSI { 2133} (( segid " A" and resid 223 and name HB1 )) (( segid " A" and resid 226 and name HB2 )) 6.000 4.500 0.000 peak 2133 spectrum 1 weight 0.10000E+01 volume 0.77335E-03 ppm1 2.605 ppm2 1.957 CV 1 OR { 2133} (( segid " A" and resid 223 and name HB1 )) (( segid " A" and resid 226 and name HB1 )) ASSI { 2134} (( segid " A" and resid 235 and name HB )) (( segid " A" and resid 235 and name HG12)) 6.000 4.500 0.000 peak 2134 spectrum 1 weight 0.10000E+01 volume 0.13740E-02 ppm1 1.604 ppm2 1.943 CV 1 ASSI { 2135} (( segid " A" and resid 258 and name HG1 )) (( segid " A" and resid 258 and name HB2 )) 6.000 4.500 0.000 peak 2135 spectrum 1 weight 0.10000E+01 volume 0.18658E-01 ppm1 2.214 ppm2 1.951 CV 1 ASSI { 2136} (( segid " A" and resid 258 and name HG2 )) (( segid " A" and resid 258 and name HB2 )) 6.000 4.500 0.000 peak 2136 spectrum 1 weight 0.10000E+01 volume 0.99831E-02 ppm1 2.113 ppm2 1.947 CV 1 ASSI { 2137} (( segid " A" and resid 278 and name HG2 )) (( segid " A" and resid 278 and name HB1 )) 6.000 4.500 0.000 peak 2137 spectrum 1 weight 0.10000E+01 volume 0.49521E-02 ppm1 2.327 ppm2 1.939 CV 1 ASSI { 2138} (( segid " A" and resid 278 and name HG1 )) (( segid " A" and resid 278 and name HB1 )) 6.000 4.500 0.000 peak 2138 spectrum 1 weight 0.10000E+01 volume 0.49997E-02 ppm1 2.232 ppm2 1.939 CV 1 ASSI { 2140} (( segid " A" and resid 125 and name HB2 )) (( segid " A" and resid 129 and name HB2 )) 6.000 4.500 0.000 peak 2140 spectrum 1 weight 0.10000E+01 volume 0.12345E-01 ppm1 2.155 ppm2 1.953 CV 1 OR { 2140} (( segid " A" and resid 171 and name HB1 )) (( segid " A" and resid 167 and name HB2 )) ASSI { 2141} ( segid " A" and resid 201 and name HD1%) ( segid " A" and resid 111 and name HE% ) 6.000 4.500 0.000 peak 2141 spectrum 1 weight 0.10000E+01 volume 0.46581E-02 ppm1 0.790 ppm2 1.959 CV 1 ASSI { 2142} ( segid " A" and resid 213 and name HG2%) (( segid " A" and resid 270 and name HG2 )) 6.000 4.500 0.000 peak 2142 spectrum 1 weight 0.10000E+01 volume 0.18647E-02 ppm1 0.406 ppm2 1.947 CV 1 OR { 2142} ( segid " A" and resid 213 and name HG2%) (( segid " A" and resid 270 and name HB1 )) ASSI { 2143} ( segid " A" and resid 255 and name HD1%) (( segid " A" and resid 235 and name HG12)) 6.000 4.500 0.000 peak 2143 spectrum 1 weight 0.10000E+01 volume 0.12540E-02 ppm1 -0.123 ppm2 1.942 CV 1 OR { 2143} ( segid " A" and resid 255 and name HD1%) (( segid " A" and resid 270 and name HG2 )) ASSI { 2144} (( segid " A" and resid 127 and name HB )) (( segid " A" and resid 123 and name HB2 )) 6.000 4.500 0.000 peak 2144 spectrum 1 weight 0.10000E+01 volume 0.95183E-03 ppm1 4.171 ppm2 1.925 CV 1 ASSI { 2146} (( segid " A" and resid 255 and name HA )) (( segid " A" and resid 235 and name HG12)) 6.000 4.500 0.000 peak 2146 spectrum 1 weight 0.10000E+01 volume 0.13545E-02 ppm1 4.559 ppm2 1.933 CV 1 ASSI { 2147} (( segid " A" and resid 230 and name HA )) (( segid " A" and resid 235 and name HG12)) 6.000 4.500 0.000 peak 2147 spectrum 1 weight 0.10000E+01 volume 0.90740E-03 ppm1 5.050 ppm2 1.915 CV 1 ASSI { 2148} (( segid " A" and resid 169 and name HA )) (( segid " A" and resid 173 and name HB1 )) 6.000 4.500 0.000 peak 2148 spectrum 1 weight 0.10000E+01 volume 0.15037E-02 ppm1 2.396 ppm2 1.914 CV 1 OR { 2148} (( segid " A" and resid 266 and name HA )) (( segid " A" and resid 270 and name HB1 )) ASSI { 2150} (( segid " A" and resid 270 and name HA )) (( segid " A" and resid 270 and name HB1 )) 6.000 4.500 0.000 peak 2150 spectrum 1 weight 0.10000E+01 volume 0.26960E-02 ppm1 4.945 ppm2 1.926 CV 1 ASSI { 2151} (( segid " A" and resid 173 and name HA )) (( segid " A" and resid 173 and name HB1 )) 6.000 4.500 0.000 peak 2151 spectrum 1 weight 0.10000E+01 volume 0.20680E-02 ppm1 5.044 ppm2 1.911 CV 1 ASSI { 2152} (( segid " A" and resid 278 and name HA )) (( segid " A" and resid 278 and name HB1 )) 6.000 4.500 0.000 peak 2152 spectrum 1 weight 0.10000E+01 volume 0.35965E-02 ppm1 4.330 ppm2 1.936 CV 1 ASSI { 2153} (( segid " A" and resid 277 and name HA1 )) (( segid " A" and resid 278 and name HB1 )) 6.000 4.500 0.000 peak 2153 spectrum 1 weight 0.10000E+01 volume 0.44678E-03 ppm1 4.053 ppm2 1.918 CV 1 OR { 2153} (( segid " A" and resid 283 and name HA2 )) (( segid " A" and resid 168 and name HG )) ASSI { 2156} (( segid " A" and resid 123 and name HB1 )) (( segid " A" and resid 123 and name HB2 )) 6.000 4.500 0.000 peak 2156 spectrum 1 weight 0.10000E+01 volume 0.20626E-02 ppm1 1.376 ppm2 1.918 CV 1 ASSI { 2157} (( segid " A" and resid 138 and name HB )) (( segid " A" and resid 138 and name HG12)) 6.000 4.500 0.000 peak 2157 spectrum 1 weight 0.10000E+01 volume 0.13091E-02 ppm1 1.627 ppm2 1.913 CV 1 ASSI { 2158} (( segid " A" and resid 230 and name HG1 )) (( segid " A" and resid 235 and name HG12)) 6.000 4.500 0.000 peak 2158 spectrum 1 weight 0.10000E+01 volume 0.12778E-02 ppm1 2.552 ppm2 1.932 CV 1 OR { 2158} (( segid " A" and resid 230 and name HG2 )) (( segid " A" and resid 235 and name HG12)) ASSI { 2159} (( segid " A" and resid 278 and name HB2 )) (( segid " A" and resid 278 and name HB1 )) 6.000 4.500 0.000 peak 2159 spectrum 1 weight 0.10000E+01 volume 0.18788E-01 ppm1 2.128 ppm2 1.930 CV 1 ASSI { 2160} ( segid " A" and resid 176 and name HG2%) (( segid " A" and resid 177 and name HB1 )) 6.000 4.500 0.000 peak 2160 spectrum 1 weight 0.10000E+01 volume 0.44689E-02 ppm1 0.887 ppm2 1.916 CV 1 OR { 2160} ( segid " A" and resid 114 and name HG1%) (( segid " A" and resid 173 and name HB1 )) OR { 2160} ( segid " A" and resid 176 and name HG2%) (( segid " A" and resid 173 and name HB1 )) OR { 2160} ( segid " A" and resid 176 and name HG2%) ( segid " A" and resid 177 and name HE% ) ASSI { 2161} ( segid " A" and resid 119 and name HG2%) (( segid " A" and resid 123 and name HB2 )) 6.000 4.500 0.000 peak 2161 spectrum 1 weight 0.10000E+01 volume 0.33057E-02 ppm1 0.691 ppm2 1.919 CV 1 ASSI { 2162} ( segid " A" and resid 255 and name HG2%) (( segid " A" and resid 235 and name HG12)) 6.000 4.500 0.000 peak 2162 spectrum 1 weight 0.10000E+01 volume 0.20539E-02 ppm1 0.219 ppm2 1.930 CV 1 ASSI { 2163} ( segid " A" and resid 173 and name HE% ) (( segid " A" and resid 173 and name HB1 )) 6.000 4.500 0.000 peak 2163 spectrum 1 weight 0.10000E+01 volume 0.76925E-02 ppm1 1.385 ppm2 1.910 CV 1 ASSI { 2164} ( segid " A" and resid 270 and name HE% ) (( segid " A" and resid 270 and name HG2 )) 6.000 4.500 0.000 peak 2164 spectrum 1 weight 0.10000E+01 volume 0.63671E-02 ppm1 0.183 ppm2 1.933 CV 1 OR { 2164} ( segid " A" and resid 270 and name HE% ) (( segid " A" and resid 270 and name HB1 )) ASSI { 2165} ( segid " A" and resid 235 and name HD1%) (( segid " A" and resid 235 and name HG12)) 6.000 4.500 0.000 peak 2165 spectrum 1 weight 0.10000E+01 volume 0.39295E-02 ppm1 0.677 ppm2 1.929 CV 1 ASSI { 2166} (( segid " A" and resid 287 and name HB )) (( segid " A" and resid 163 and name HG2 )) 6.000 4.500 0.000 peak 2166 spectrum 1 weight 0.10000E+01 volume 0.13091E-02 ppm1 4.195 ppm2 1.888 CV 1 ASSI { 2167} (( segid " A" and resid 138 and name HA )) (( segid " A" and resid 138 and name HG12)) 6.000 4.500 0.000 peak 2167 spectrum 1 weight 0.10000E+01 volume 0.12907E-02 ppm1 3.750 ppm2 1.891 CV 1 ASSI { 2168} (( segid " A" and resid 257 and name HA )) (( segid " A" and resid 259 and name HB2 )) 6.000 4.500 0.000 peak 2168 spectrum 1 weight 0.10000E+01 volume 0.61412E-03 ppm1 4.853 ppm2 1.897 CV 1 ASSI { 2169} (( segid " A" and resid 170 and name HA )) (( segid " A" and resid 185 and name HB )) 6.000 4.500 0.000 peak 2169 spectrum 1 weight 0.10000E+01 volume 0.23350E-02 ppm1 3.713 ppm2 1.886 CV 1 OR { 2169} (( segid " A" and resid 170 and name HA )) (( segid " A" and resid 173 and name HB1 )) ASSI { 2172} (( segid " A" and resid 178 and name HA )) (( segid " A" and resid 177 and name HB1 )) 6.000 4.500 0.000 peak 2172 spectrum 1 weight 0.10000E+01 volume 0.81043E-02 ppm1 4.616 ppm2 1.903 CV 1 OR { 2172} (( segid " A" and resid 178 and name HA )) ( segid " A" and resid 177 and name HE% ) ASSI { 2173} (( segid " A" and resid 181 and name HD2 )) (( segid " A" and resid 181 and name HB1 )) 6.000 4.500 0.000 peak 2173 spectrum 1 weight 0.10000E+01 volume 0.33522E-02 ppm1 3.002 ppm2 1.887 CV 1 OR { 2173} (( segid " A" and resid 181 and name HD1 )) (( segid " A" and resid 181 and name HB1 )) ASSI { 2174} (( segid " A" and resid 259 and name HE2 )) (( segid " A" and resid 259 and name HB2 )) 6.000 4.500 0.000 peak 2174 spectrum 1 weight 0.10000E+01 volume 0.47640E-02 ppm1 3.043 ppm2 1.884 CV 1 OR { 2174} (( segid " A" and resid 259 and name HE1 )) (( segid " A" and resid 259 and name HB2 )) ASSI { 2176} (( segid " A" and resid 174 and name HB2 )) (( segid " A" and resid 185 and name HB )) 6.000 4.500 0.000 peak 2176 spectrum 1 weight 0.10000E+01 volume 0.12680E-02 ppm1 2.962 ppm2 1.882 CV 1 ASSI { 2177} (( segid " A" and resid 259 and name HB1 )) (( segid " A" and resid 259 and name HB2 )) 6.000 4.500 0.000 peak 2177 spectrum 1 weight 0.10000E+01 volume 0.49208E-02 ppm1 2.012 ppm2 1.887 CV 1 ASSI { 2178} (( segid " A" and resid 138 and name HG11)) (( segid " A" and resid 138 and name HG12)) 6.000 4.500 0.000 peak 2178 spectrum 1 weight 0.10000E+01 volume 0.92826E-03 ppm1 0.314 ppm2 1.898 CV 1 ASSI { 2179} (( segid " A" and resid 288 and name HG1 )) (( segid " A" and resid 288 and name HB2 )) 6.000 4.500 0.000 peak 2179 spectrum 1 weight 0.10000E+01 volume 0.17674E-02 ppm1 2.316 ppm2 1.889 CV 1 ASSI { 2180} ( segid " A" and resid 168 and name HD1%) (( segid " A" and resid 168 and name HG )) 6.000 4.500 0.000 peak 2180 spectrum 1 weight 0.10000E+01 volume 0.12669E-01 ppm1 0.895 ppm2 1.884 CV 1 ASSI { 2181} ( segid " A" and resid 185 and name HG1%) (( segid " A" and resid 185 and name HB )) 6.000 4.500 0.000 peak 2181 spectrum 1 weight 0.10000E+01 volume 0.25188E-01 ppm1 0.988 ppm2 1.884 CV 1 OR { 2181} ( segid " A" and resid 185 and name HG2%) (( segid " A" and resid 185 and name HB )) ASSI { 2182} ( segid " A" and resid 116 and name HG1%) (( segid " A" and resid 185 and name HB )) 6.000 4.500 0.000 peak 2182 spectrum 1 weight 0.10000E+01 volume 0.11275E-02 ppm1 0.293 ppm2 1.908 CV 1 OR { 2182} ( segid " A" and resid 116 and name HG1%) (( segid " A" and resid 173 and name HB1 )) ASSI { 2183} ( segid " A" and resid 158 and name HG1%) (( segid " A" and resid 138 and name HG12)) 6.000 4.500 0.000 peak 2183 spectrum 1 weight 0.10000E+01 volume 0.17902E-02 ppm1 0.130 ppm2 1.898 CV 1 ASSI { 2184} ( segid " A" and resid 165 and name HB% ) (( segid " A" and resid 168 and name HB2 )) 6.000 4.500 0.000 peak 2184 spectrum 1 weight 0.10000E+01 volume 0.81854E-03 ppm1 0.650 ppm2 1.886 CV 1 OR { 2184} ( segid " A" and resid 165 and name HB% ) (( segid " A" and resid 168 and name HG )) ASSI { 2185} ( segid " A" and resid 169 and name HB% ) (( segid " A" and resid 173 and name HB1 )) 6.000 4.500 0.000 peak 2185 spectrum 1 weight 0.10000E+01 volume 0.28258E-02 ppm1 1.344 ppm2 1.885 CV 1 OR { 2185} ( segid " A" and resid 169 and name HB% ) (( segid " A" and resid 168 and name HB2 )) ASSI { 2186} ( segid " A" and resid 133 and name HB% ) (( segid " A" and resid 138 and name HG12)) 6.000 4.500 0.000 peak 2186 spectrum 1 weight 0.10000E+01 volume 0.23425E-02 ppm1 1.608 ppm2 1.890 CV 1 OR { 2186} ( segid " A" and resid 133 and name HB% ) (( segid " A" and resid 129 and name HB1 )) ASSI { 2187} (( segid " A" and resid 163 and name HA )) (( segid " A" and resid 163 and name HG2 )) 6.000 4.500 0.000 peak 2187 spectrum 1 weight 0.10000E+01 volume 0.97691E-03 ppm1 4.140 ppm2 1.882 CV 1 ASSI { 2190} (( segid " A" and resid 288 and name HA )) (( segid " A" and resid 288 and name HB2 )) 6.000 4.500 0.000 peak 2190 spectrum 1 weight 0.10000E+01 volume 0.20096E-02 ppm1 4.349 ppm2 1.874 CV 1 ASSI { 2192} (( segid " A" and resid 162 and name HA )) (( segid " A" and resid 163 and name HG2 )) 6.000 4.500 0.000 peak 2192 spectrum 1 weight 0.10000E+01 volume 0.10810E-02 ppm1 4.856 ppm2 1.877 CV 1 ASSI { 2193} (( segid " A" and resid 107 and name HA )) (( segid " A" and resid 110 and name HB )) 6.000 4.500 0.000 peak 2193 spectrum 1 weight 0.10000E+01 volume 0.26928E-02 ppm1 3.925 ppm2 1.870 CV 1 ASSI { 2194} (( segid " A" and resid 205 and name HA )) (( segid " A" and resid 288 and name HB2 )) 6.000 4.500 0.000 peak 2194 spectrum 1 weight 0.10000E+01 volume 0.14680E-02 ppm1 3.855 ppm2 1.859 CV 1 ASSI { 2195} (( segid " A" and resid 165 and name HA )) (( segid " A" and resid 168 and name HB2 )) 6.000 4.500 0.000 peak 2195 spectrum 1 weight 0.10000E+01 volume 0.84892E-03 ppm1 3.634 ppm2 1.868 CV 1 ASSI { 2196} (( segid " A" and resid 163 and name HD1 )) (( segid " A" and resid 163 and name HG2 )) 6.000 4.500 0.000 peak 2196 spectrum 1 weight 0.10000E+01 volume 0.24247E-02 ppm1 4.011 ppm2 1.857 CV 1 ASSI { 2198} (( segid " A" and resid 201 and name HB2 )) (( segid " A" and resid 201 and name HG )) 6.000 4.500 0.000 peak 2198 spectrum 1 weight 0.10000E+01 volume 0.77725E-03 ppm1 2.132 ppm2 1.856 CV 1 ASSI { 2199} (( segid " A" and resid 174 and name HB1 )) (( segid " A" and resid 185 and name HB )) 6.000 4.500 0.000 peak 2199 spectrum 1 weight 0.10000E+01 volume 0.11005E-02 ppm1 2.872 ppm2 1.882 CV 1 OR { 2199} (( segid " A" and resid 174 and name HB1 )) (( segid " A" and resid 173 and name HB1 )) ASSI { 2200} (( segid " A" and resid 110 and name HG12)) (( segid " A" and resid 110 and name HB )) 6.000 4.500 0.000 peak 2200 spectrum 1 weight 0.10000E+01 volume 0.22204E-02 ppm1 1.033 ppm2 1.870 CV 1 ASSI { 2201} (( segid " A" and resid 200 and name HB2 )) (( segid " A" and resid 201 and name HG )) 6.000 4.500 0.000 peak 2201 spectrum 1 weight 0.10000E+01 volume 0.11794E-01 ppm1 2.192 ppm2 1.881 CV 1 OR { 2201} (( segid " A" and resid 130 and name HB2 )) (( segid " A" and resid 129 and name HB1 )) ASSI { 2202} (( segid " A" and resid 191 and name HG11)) (( segid " A" and resid 191 and name HB )) 6.000 4.500 0.000 peak 2202 spectrum 1 weight 0.10000E+01 volume 0.31792E-02 ppm1 1.240 ppm2 1.873 CV 1 ASSI { 2204} (( segid " A" and resid 181 and name HG1 )) (( segid " A" and resid 181 and name HB1 )) 6.000 4.500 0.000 peak 2204 spectrum 1 weight 0.10000E+01 volume 0.82038E-02 ppm1 1.537 ppm2 1.867 CV 1 OR { 2204} (( segid " A" and resid 181 and name HG2 )) (( segid " A" and resid 181 and name HB1 )) ASSI { 2205} ( segid " A" and resid 168 and name HD2%) (( segid " A" and resid 168 and name HB2 )) 6.000 4.500 0.000 peak 2205 spectrum 1 weight 0.10000E+01 volume 0.97312E-02 ppm1 1.013 ppm2 1.879 CV 1 ASSI { 2206} ( segid " A" and resid 194 and name HB% ) (( segid " A" and resid 110 and name HB )) 6.000 4.500 0.000 peak 2206 spectrum 1 weight 0.10000E+01 volume 0.60926E-02 ppm1 1.430 ppm2 1.876 CV 1 OR { 2206} ( segid " A" and resid 131 and name HB% ) (( segid " A" and resid 129 and name HB1 )) OR { 2206} ( segid " A" and resid 194 and name HB% ) (( segid " A" and resid 191 and name HB )) ASSI { 2207} ( segid " A" and resid 285 and name HB% ) (( segid " A" and resid 210 and name HB2 )) 6.000 4.500 0.000 peak 2207 spectrum 1 weight 0.10000E+01 volume 0.53294E-02 ppm1 1.513 ppm2 1.860 CV 1 ASSI { 2208} ( segid " A" and resid 191 and name HG2%) (( segid " A" and resid 191 and name HB )) 6.000 4.500 0.000 peak 2208 spectrum 1 weight 0.10000E+01 volume 0.21134E-01 ppm1 0.898 ppm2 1.869 CV 1 ASSI { 2209} ( segid " A" and resid 110 and name HG2%) (( segid " A" and resid 110 and name HB )) 6.000 4.500 0.000 peak 2209 spectrum 1 weight 0.10000E+01 volume 0.17026E-01 ppm1 0.838 ppm2 1.873 CV 1 ASSI { 2210} ( segid " A" and resid 191 and name HD1%) (( segid " A" and resid 191 and name HB )) 6.000 4.500 0.000 peak 2210 spectrum 1 weight 0.10000E+01 volume 0.16366E-01 ppm1 0.843 ppm2 1.869 CV 1 ASSI { 2211} (( segid " A" and resid 246 and name HB )) (( segid " A" and resid 248 and name HB2 )) 6.000 4.500 0.000 peak 2211 spectrum 1 weight 0.10000E+01 volume 0.54537E-03 ppm1 4.267 ppm2 1.832 CV 1 ASSI { 2215} (( segid " A" and resid 120 and name HB1 )) (( segid " A" and resid 123 and name HG )) 6.000 4.500 0.000 peak 2215 spectrum 1 weight 0.10000E+01 volume 0.64061E-03 ppm1 2.738 ppm2 1.832 CV 1 ASSI { 2216} (( segid " A" and resid 284 and name HB2 )) (( segid " A" and resid 284 and name HB1 )) 6.000 4.500 0.000 peak 2216 spectrum 1 weight 0.10000E+01 volume 0.10832E-01 ppm1 1.972 ppm2 1.832 CV 1 ASSI { 2217} (( segid " A" and resid 210 and name HG1 )) (( segid " A" and resid 210 and name HB2 )) 6.000 4.500 0.000 peak 2217 spectrum 1 weight 0.10000E+01 volume 0.37241E-02 ppm1 1.468 ppm2 1.838 CV 1 ASSI { 2218} ( segid " A" and resid 201 and name HD1%) (( segid " A" and resid 201 and name HG )) 6.000 4.500 0.000 peak 2218 spectrum 1 weight 0.10000E+01 volume 0.62569E-02 ppm1 0.790 ppm2 1.851 CV 1 ASSI { 2220} ( segid " A" and resid 216 and name HG1%) (( segid " A" and resid 225 and name HB )) 6.000 4.500 0.000 peak 2220 spectrum 1 weight 0.10000E+01 volume 0.14821E-02 ppm1 0.674 ppm2 1.837 CV 1 ASSI { 2221} ( segid " A" and resid 109 and name HB% ) (( segid " A" and resid 110 and name HB )) 6.000 4.500 0.000 peak 2221 spectrum 1 weight 0.10000E+01 volume 0.69260E-02 ppm1 1.443 ppm2 1.850 CV 1 OR { 2221} ( segid " A" and resid 107 and name HB% ) (( segid " A" and resid 110 and name HB )) OR { 2221} ( segid " A" and resid 166 and name HB% ) (( segid " A" and resid 163 and name HG2 )) OR { 2221} ( segid " A" and resid 107 and name HB% ) (( segid " A" and resid 201 and name HG )) OR { 2221} ( segid " A" and resid 166 and name HB% ) (( segid " A" and resid 168 and name HB2 )) ASSI { 2222} ( segid " A" and resid 225 and name HG2%) (( segid " A" and resid 225 and name HB )) 6.000 4.500 0.000 peak 2222 spectrum 1 weight 0.10000E+01 volume 0.84157E-02 ppm1 0.614 ppm2 1.828 CV 1 ASSI { 2223} ( segid " A" and resid 197 and name HD1%) (( segid " A" and resid 201 and name HG )) 6.000 4.500 0.000 peak 2223 spectrum 1 weight 0.10000E+01 volume 0.41965E-02 ppm1 0.786 ppm2 1.849 CV 1 ASSI { 2224} ( segid " A" and resid 225 and name HD1%) (( segid " A" and resid 225 and name HB )) 6.000 4.500 0.000 peak 2224 spectrum 1 weight 0.10000E+01 volume 0.35295E-02 ppm1 0.633 ppm2 1.830 CV 1 ASSI { 2226} (( segid " A" and resid 287 and name HA )) (( segid " A" and resid 288 and name HG2 )) 6.000 4.500 0.000 peak 2226 spectrum 1 weight 0.10000E+01 volume 0.91853E-03 ppm1 4.652 ppm2 1.769 CV 1 ASSI { 2228} (( segid " A" and resid 248 and name HA )) (( segid " A" and resid 248 and name HB2 )) 6.000 4.500 0.000 peak 2228 spectrum 1 weight 0.10000E+01 volume 0.49132E-02 ppm1 4.421 ppm2 1.825 CV 1 ASSI { 2229} (( segid " A" and resid 157 and name HB2 )) (( segid " A" and resid 113 and name HB1 )) 6.000 4.500 0.000 peak 2229 spectrum 1 weight 0.10000E+01 volume 0.74092E-03 ppm1 2.735 ppm2 1.811 CV 1 ASSI { 2230} (( segid " A" and resid 108 and name HB2 )) (( segid " A" and resid 108 and name HB1 )) 6.000 4.500 0.000 peak 2230 spectrum 1 weight 0.10000E+01 volume 0.58245E-02 ppm1 1.475 ppm2 1.801 CV 1 ASSI { 2231} (( segid " A" and resid 120 and name HB1 )) (( segid " A" and resid 123 and name HG )) 6.000 4.500 0.000 peak 2231 spectrum 1 weight 0.10000E+01 volume 0.82535E-03 ppm1 2.770 ppm2 1.820 CV 1 ASSI { 2232} (( segid " A" and resid 218 and name HG1 )) (( segid " A" and resid 218 and name HB2 )) 6.000 4.500 0.000 peak 2232 spectrum 1 weight 0.10000E+01 volume 0.76708E-02 ppm1 2.206 ppm2 1.787 CV 1 ASSI { 2233} (( segid " A" and resid 218 and name HG2 )) (( segid " A" and resid 218 and name HB2 )) 6.000 4.500 0.000 peak 2233 spectrum 1 weight 0.10000E+01 volume 0.82265E-02 ppm1 2.108 ppm2 1.778 CV 1 ASSI { 2234} (( segid " A" and resid 248 and name HB1 )) (( segid " A" and resid 248 and name HB2 )) 6.000 4.500 0.000 peak 2234 spectrum 1 weight 0.10000E+01 volume 0.54472E-02 ppm1 1.624 ppm2 1.822 CV 1 ASSI { 2235} (( segid " A" and resid 122 and name HB2 )) (( segid " A" and resid 122 and name HG1 )) 6.000 4.500 0.000 peak 2235 spectrum 1 weight 0.10000E+01 volume 0.50461E-02 ppm1 2.158 ppm2 1.819 CV 1 ASSI { 2236} (( segid " A" and resid 248 and name HD1 )) (( segid " A" and resid 248 and name HB2 )) 6.000 4.500 0.000 peak 2236 spectrum 1 weight 0.10000E+01 volume 0.87151E-02 ppm1 1.591 ppm2 1.820 CV 1 OR { 2236} (( segid " A" and resid 248 and name HD2 )) (( segid " A" and resid 248 and name HB2 )) ASSI { 2237} ( segid " A" and resid 123 and name HD2%) (( segid " A" and resid 123 and name HG )) 6.000 4.500 0.000 peak 2237 spectrum 1 weight 0.10000E+01 volume 0.66428E-02 ppm1 0.950 ppm2 1.823 CV 1 ASSI { 2238} ( segid " A" and resid 108 and name HD1%) (( segid " A" and resid 108 and name HB1 )) 6.000 4.500 0.000 peak 2238 spectrum 1 weight 0.10000E+01 volume 0.15945E-01 ppm1 0.830 ppm2 1.804 CV 1 ASSI { 2239} ( segid " A" and resid 240 and name HD1%) (( segid " A" and resid 225 and name HB )) 6.000 4.500 0.000 peak 2239 spectrum 1 weight 0.10000E+01 volume 0.12345E-02 ppm1 -0.083 ppm2 1.817 CV 1 ASSI { 2240} ( segid " A" and resid 123 and name HD1%) (( segid " A" and resid 123 and name HG )) 6.000 4.500 0.000 peak 2240 spectrum 1 weight 0.10000E+01 volume 0.13394E-01 ppm1 0.927 ppm2 1.816 CV 1 ASSI { 2241} ( segid " A" and resid 240 and name HD2%) (( segid " A" and resid 225 and name HB )) 6.000 4.500 0.000 peak 2241 spectrum 1 weight 0.10000E+01 volume 0.16723E-02 ppm1 0.084 ppm2 1.823 CV 1 ASSI { 2242} (( segid " A" and resid 267 and name HA )) (( segid " A" and resid 282 and name HB )) 6.000 4.500 0.000 peak 2242 spectrum 1 weight 0.10000E+01 volume 0.98242E-03 ppm1 3.472 ppm2 1.778 CV 1 ASSI { 2243} (( segid " A" and resid 134 and name HA )) (( segid " A" and resid 134 and name HG2 )) 6.000 4.500 0.000 peak 2243 spectrum 1 weight 0.10000E+01 volume 0.14821E-02 ppm1 4.029 ppm2 1.773 CV 1 ASSI { 2244} (( segid " A" and resid 114 and name HA )) (( segid " A" and resid 113 and name HB1 )) 6.000 4.500 0.000 peak 2244 spectrum 1 weight 0.10000E+01 volume 0.13675E-02 ppm1 4.726 ppm2 1.782 CV 1 OR { 2244} (( segid " A" and resid 132 and name HA )) (( segid " A" and resid 134 and name HG2 )) ASSI { 2246} (( segid " A" and resid 167 and name HA )) (( segid " A" and resid 170 and name HB2 )) 6.000 4.500 0.000 peak 2246 spectrum 1 weight 0.10000E+01 volume 0.28139E-02 ppm1 3.714 ppm2 1.780 CV 1 OR { 2246} (( segid " A" and resid 170 and name HA )) (( segid " A" and resid 170 and name HB2 )) ASSI { 2248} (( segid " A" and resid 178 and name HA )) (( segid " A" and resid 177 and name HB2 )) 6.000 4.500 0.000 peak 2248 spectrum 1 weight 0.10000E+01 volume 0.42192E-02 ppm1 4.617 ppm2 1.789 CV 1 ASSI { 2249} (( segid " A" and resid 134 and name HD2 )) (( segid " A" and resid 134 and name HG2 )) 6.000 4.500 0.000 peak 2249 spectrum 1 weight 0.10000E+01 volume 0.66223E-03 ppm1 3.095 ppm2 1.782 CV 1 ASSI { 2250} (( segid " A" and resid 177 and name HG2 )) (( segid " A" and resid 177 and name HB2 )) 6.000 4.500 0.000 peak 2250 spectrum 1 weight 0.10000E+01 volume 0.71476E-02 ppm1 2.282 ppm2 1.786 CV 1 ASSI { 2251} (( segid " A" and resid 181 and name HG2 )) (( segid " A" and resid 181 and name HB2 )) 6.000 4.500 0.000 peak 2251 spectrum 1 weight 0.10000E+01 volume 0.91940E-02 ppm1 1.536 ppm2 1.775 CV 1 OR { 2251} (( segid " A" and resid 181 and name HG1 )) (( segid " A" and resid 181 and name HB2 )) ASSI { 2252} ( segid " A" and resid 282 and name HG1%) (( segid " A" and resid 282 and name HB )) 6.000 4.500 0.000 peak 2252 spectrum 1 weight 0.10000E+01 volume 0.19339E-01 ppm1 0.983 ppm2 1.794 CV 1 ASSI { 2253} ( segid " A" and resid 213 and name HG1%) (( segid " A" and resid 282 and name HB )) 6.000 4.500 0.000 peak 2253 spectrum 1 weight 0.10000E+01 volume 0.21988E-02 ppm1 0.342 ppm2 1.791 CV 1 ASSI { 2254} ( segid " A" and resid 213 and name HG2%) (( segid " A" and resid 282 and name HB )) 6.000 4.500 0.000 peak 2254 spectrum 1 weight 0.10000E+01 volume 0.22734E-02 ppm1 0.404 ppm2 1.796 CV 1 ASSI { 2255} ( segid " A" and resid 266 and name HB% ) (( segid " A" and resid 282 and name HB )) 6.000 4.500 0.000 peak 2255 spectrum 1 weight 0.10000E+01 volume 0.97550E-03 ppm1 1.247 ppm2 1.784 CV 1 ASSI { 2256} ( segid " A" and resid 255 and name HG2%) (( segid " A" and resid 256 and name HB2 )) 6.000 4.500 0.000 peak 2256 spectrum 1 weight 0.10000E+01 volume 0.10886E-02 ppm1 0.218 ppm2 1.774 CV 1 ASSI { 2257} ( segid " A" and resid 173 and name HE% ) (( segid " A" and resid 134 and name HG2 )) 6.000 4.500 0.000 peak 2257 spectrum 1 weight 0.10000E+01 volume 0.58169E-02 ppm1 1.385 ppm2 1.786 CV 1 OR { 2257} ( segid " A" and resid 173 and name HE% ) (( segid " A" and resid 170 and name HB2 )) ASSI { 2259} (( segid " A" and resid 217 and name HA )) (( segid " A" and resid 218 and name HB2 )) 6.000 4.500 0.000 peak 2259 spectrum 1 weight 0.10000E+01 volume 0.11015E-02 ppm1 3.870 ppm2 1.771 CV 1 OR { 2259} (( segid " A" and resid 135 and name HA )) (( segid " A" and resid 281 and name HB2 )) OR { 2259} (( segid " A" and resid 135 and name HA )) (( segid " A" and resid 281 and name HB1 )) OR { 2259} (( segid " A" and resid 135 and name HA )) (( segid " A" and resid 134 and name HG2 )) ASSI { 2261} (( segid " A" and resid 234 and name HA )) (( segid " A" and resid 234 and name HB2 )) 6.000 4.500 0.000 peak 2261 spectrum 1 weight 0.10000E+01 volume 0.10125E-01 ppm1 4.256 ppm2 1.759 CV 1 OR { 2261} (( segid " A" and resid 234 and name HA )) (( segid " A" and resid 234 and name HB1 )) ASSI { 2262} (( segid " A" and resid 172 and name HA )) (( segid " A" and resid 172 and name HB2 )) 6.000 4.500 0.000 peak 2262 spectrum 1 weight 0.10000E+01 volume 0.37079E-02 ppm1 4.456 ppm2 1.759 CV 1 ASSI { 2263} (( segid " A" and resid 169 and name HA )) (( segid " A" and resid 172 and name HB2 )) 6.000 4.500 0.000 peak 2263 spectrum 1 weight 0.10000E+01 volume 0.10617E-02 ppm1 2.392 ppm2 1.754 CV 1 OR { 2263} (( segid " A" and resid 169 and name HA )) (( segid " A" and resid 170 and name HB2 )) ASSI { 2265} (( segid " A" and resid 281 and name HA )) (( segid " A" and resid 281 and name HB1 )) 6.000 4.500 0.000 peak 2265 spectrum 1 weight 0.10000E+01 volume 0.10533E-02 ppm1 5.268 ppm2 1.753 CV 1 OR { 2265} (( segid " A" and resid 281 and name HA )) (( segid " A" and resid 281 and name HB2 )) ASSI { 2266} (( segid " A" and resid 134 and name HD2 )) (( segid " A" and resid 134 and name HG2 )) 6.000 4.500 0.000 peak 2266 spectrum 1 weight 0.10000E+01 volume 0.64752E-03 ppm1 3.071 ppm2 1.752 CV 1 ASSI { 2269} (( segid " A" and resid 186 and name HA1 )) (( segid " A" and resid 170 and name HB2 )) 6.000 4.500 0.000 peak 2269 spectrum 1 weight 0.10000E+01 volume 0.46202E-03 ppm1 4.492 ppm2 1.763 CV 1 OR { 2269} (( segid " A" and resid 186 and name HA1 )) (( segid " A" and resid 184 and name HB2 )) ASSI { 2272} (( segid " A" and resid 170 and name HB1 )) (( segid " A" and resid 170 and name HB2 )) 6.000 4.500 0.000 peak 2272 spectrum 1 weight 0.10000E+01 volume 0.95377E-02 ppm1 1.579 ppm2 1.749 CV 1 ASSI { 2273} (( segid " A" and resid 259 and name HE1 )) (( segid " A" and resid 259 and name HD2 )) 6.000 4.500 0.000 peak 2273 spectrum 1 weight 0.10000E+01 volume 0.27360E-01 ppm1 3.044 ppm2 1.757 CV 1 OR { 2273} (( segid " A" and resid 259 and name HE2 )) (( segid " A" and resid 259 and name HD1 )) OR { 2273} (( segid " A" and resid 259 and name HE1 )) (( segid " A" and resid 259 and name HD1 )) ASSI { 2274} (( segid " A" and resid 172 and name HG2 )) (( segid " A" and resid 172 and name HB2 )) 6.000 4.500 0.000 peak 2274 spectrum 1 weight 0.10000E+01 volume 0.10983E-02 ppm1 2.763 ppm2 1.760 CV 1 ASSI { 2275} (( segid " A" and resid 259 and name HB1 )) (( segid " A" and resid 259 and name HD2 )) 6.000 4.500 0.000 peak 2275 spectrum 1 weight 0.10000E+01 volume 0.28733E-02 ppm1 2.012 ppm2 1.763 CV 1 OR { 2275} (( segid " A" and resid 259 and name HB1 )) (( segid " A" and resid 259 and name HD1 )) ASSI { 2277} (( segid " A" and resid 134 and name HB1 )) (( segid " A" and resid 134 and name HG2 )) 6.000 4.500 0.000 peak 2277 spectrum 1 weight 0.10000E+01 volume 0.69466E-03 ppm1 0.296 ppm2 1.748 CV 1 ASSI { 2278} (( segid " A" and resid 258 and name HB1 )) (( segid " A" and resid 234 and name HB1 )) 6.000 4.500 0.000 peak 2278 spectrum 1 weight 0.10000E+01 volume 0.56364E-02 ppm1 2.196 ppm2 1.764 CV 1 OR { 2278} (( segid " A" and resid 258 and name HB1 )) (( segid " A" and resid 259 and name HD2 )) OR { 2278} (( segid " A" and resid 258 and name HB1 )) (( segid " A" and resid 234 and name HB2 )) OR { 2278} (( segid " A" and resid 258 and name HB1 )) (( segid " A" and resid 259 and name HD1 )) ASSI { 2279} (( segid " A" and resid 206 and name HB2 )) (( segid " A" and resid 206 and name HG2 )) 6.000 4.500 0.000 peak 2279 spectrum 1 weight 0.10000E+01 volume 0.15426E-01 ppm1 1.984 ppm2 1.755 CV 1 OR { 2279} (( segid " A" and resid 206 and name HB1 )) (( segid " A" and resid 206 and name HG2 )) ASSI { 2280} (( segid " A" and resid 196 and name HG1 )) (( segid " A" and resid 196 and name HB1 )) 6.000 4.500 0.000 peak 2280 spectrum 1 weight 0.10000E+01 volume 0.45132E-02 ppm1 2.069 ppm2 1.751 CV 1 ASSI { 2282} ( segid " A" and resid 170 and name HD2%) (( segid " A" and resid 170 and name HB2 )) 6.000 4.500 0.000 peak 2282 spectrum 1 weight 0.10000E+01 volume 0.16896E-01 ppm1 0.785 ppm2 1.768 CV 1 ASSI { 2283} ( segid " A" and resid 214 and name HB% ) (( segid " A" and resid 281 and name HB1 )) 6.000 4.500 0.000 peak 2283 spectrum 1 weight 0.10000E+01 volume 0.37738E-02 ppm1 1.273 ppm2 1.754 CV 1 OR { 2283} ( segid " A" and resid 214 and name HB% ) (( segid " A" and resid 281 and name HB2 )) ASSI { 2284} ( segid " A" and resid 183 and name HG2%) (( segid " A" and resid 181 and name HB2 )) 6.000 4.500 0.000 peak 2284 spectrum 1 weight 0.10000E+01 volume 0.36354E-02 ppm1 0.949 ppm2 1.759 CV 1 OR { 2284} ( segid " A" and resid 183 and name HG2%) (( segid " A" and resid 177 and name HB2 )) OR { 2284} ( segid " A" and resid 211 and name HG2%) (( segid " A" and resid 282 and name HB )) OR { 2284} ( segid " A" and resid 183 and name HG2%) (( segid " A" and resid 184 and name HB2 )) ASSI { 2285} ( segid " A" and resid 205 and name HB% ) (( segid " A" and resid 206 and name HG2 )) 6.000 4.500 0.000 peak 2285 spectrum 1 weight 0.10000E+01 volume 0.42462E-02 ppm1 1.144 ppm2 1.753 CV 1 ASSI { 2286} (( segid " A" and resid 286 and name HA )) (( segid " A" and resid 284 and name HD1 )) 6.000 4.500 0.000 peak 2286 spectrum 1 weight 0.10000E+01 volume 0.64363E-03 ppm1 4.505 ppm2 1.730 CV 1 OR { 2286} (( segid " A" and resid 286 and name HA )) (( segid " A" and resid 284 and name HD2 )) ASSI { 2288} (( segid " A" and resid 157 and name HA )) (( segid " A" and resid 113 and name HG2 )) 6.000 4.500 0.000 peak 2288 spectrum 1 weight 0.10000E+01 volume 0.48148E-03 ppm1 5.460 ppm2 1.719 CV 1 OR { 2288} (( segid " A" and resid 157 and name HA )) (( segid " A" and resid 113 and name HB2 )) ASSI { 2290} (( segid " A" and resid 107 and name HA )) (( segid " A" and resid 110 and name HG11)) 6.000 4.500 0.000 peak 2290 spectrum 1 weight 0.10000E+01 volume 0.12788E-02 ppm1 3.925 ppm2 1.718 CV 1 ASSI { 2291} (( segid " A" and resid 159 and name HA )) (( segid " A" and resid 113 and name HB2 )) 6.000 4.500 0.000 peak 2291 spectrum 1 weight 0.10000E+01 volume 0.28139E-02 ppm1 5.007 ppm2 1.729 CV 1 OR { 2291} (( segid " A" and resid 159 and name HA )) (( segid " A" and resid 113 and name HG2 )) ASSI { 2294} (( segid " A" and resid 113 and name HD2 )) (( segid " A" and resid 113 and name HG2 )) 6.000 4.500 0.000 peak 2294 spectrum 1 weight 0.10000E+01 volume 0.52980E-02 ppm1 3.072 ppm2 1.737 CV 1 OR { 2294} (( segid " A" and resid 113 and name HD2 )) (( segid " A" and resid 113 and name HB2 )) ASSI { 2295} (( segid " A" and resid 113 and name HD1 )) (( segid " A" and resid 113 and name HG2 )) 6.000 4.500 0.000 peak 2295 spectrum 1 weight 0.10000E+01 volume 0.46191E-02 ppm1 2.901 ppm2 1.734 CV 1 OR { 2295} (( segid " A" and resid 113 and name HD1 )) (( segid " A" and resid 113 and name HB2 )) ASSI { 2296} (( segid " A" and resid 284 and name HE2 )) (( segid " A" and resid 284 and name HD2 )) 6.000 4.500 0.000 peak 2296 spectrum 1 weight 0.10000E+01 volume 0.17988E-01 ppm1 2.983 ppm2 1.728 CV 1 OR { 2296} (( segid " A" and resid 284 and name HE1 )) (( segid " A" and resid 284 and name HD1 )) OR { 2296} (( segid " A" and resid 284 and name HE2 )) (( segid " A" and resid 284 and name HD1 )) ASSI { 2297} (( segid " A" and resid 174 and name HB2 )) (( segid " A" and resid 170 and name HG )) 6.000 4.500 0.000 peak 2297 spectrum 1 weight 0.10000E+01 volume 0.11772E-02 ppm1 2.980 ppm2 1.726 CV 1 ASSI { 2298} (( segid " A" and resid 230 and name HG1 )) (( segid " A" and resid 234 and name HD1 )) 6.000 4.500 0.000 peak 2298 spectrum 1 weight 0.10000E+01 volume 0.10408E-02 ppm1 2.555 ppm2 1.733 CV 1 OR { 2298} (( segid " A" and resid 230 and name HG2 )) (( segid " A" and resid 234 and name HD1 )) ASSI { 2300} (( segid " A" and resid 258 and name HG2 )) (( segid " A" and resid 259 and name HD2 )) 6.000 4.500 0.000 peak 2300 spectrum 1 weight 0.10000E+01 volume 0.50386E-02 ppm1 2.114 ppm2 1.741 CV 1 OR { 2300} (( segid " A" and resid 258 and name HG2 )) (( segid " A" and resid 259 and name HD1 )) ASSI { 2301} (( segid " A" and resid 162 and name HB )) (( segid " A" and resid 163 and name HB1 )) 6.000 4.500 0.000 peak 2301 spectrum 1 weight 0.10000E+01 volume 0.74579E-03 ppm1 2.203 ppm2 1.719 CV 1 ASSI { 2302} (( segid " A" and resid 184 and name HB1 )) (( segid " A" and resid 184 and name HB2 )) 6.000 4.500 0.000 peak 2302 spectrum 1 weight 0.10000E+01 volume 0.13286E-01 ppm1 1.593 ppm2 1.730 CV 1 ASSI { 2303} (( segid " A" and resid 113 and name HG1 )) (( segid " A" and resid 113 and name HG2 )) 6.000 4.500 0.000 peak 2303 spectrum 1 weight 0.10000E+01 volume 0.58558E-02 ppm1 1.383 ppm2 1.728 CV 1 ASSI { 2304} (( segid " A" and resid 112 and name HB1 )) (( segid " A" and resid 113 and name HB2 )) 6.000 4.500 0.000 peak 2304 spectrum 1 weight 0.10000E+01 volume 0.47381E-03 ppm1 3.566 ppm2 1.729 CV 1 OR { 2304} (( segid " A" and resid 112 and name HB1 )) (( segid " A" and resid 113 and name HG2 )) OR { 2304} (( segid " A" and resid 112 and name HB1 )) (( segid " A" and resid 108 and name HG )) ASSI { 2307} (( segid " A" and resid 284 and name HG1 )) (( segid " A" and resid 284 and name HD2 )) 6.000 4.500 0.000 peak 2307 spectrum 1 weight 0.10000E+01 volume 0.18237E-01 ppm1 1.545 ppm2 1.738 CV 1 OR { 2307} (( segid " A" and resid 284 and name HG2 )) (( segid " A" and resid 284 and name HD1 )) OR { 2307} (( segid " A" and resid 284 and name HG1 )) (( segid " A" and resid 284 and name HD1 )) ASSI { 2308} (( segid " A" and resid 259 and name HG2 )) (( segid " A" and resid 259 and name HD2 )) 6.000 4.500 0.000 peak 2308 spectrum 1 weight 0.10000E+01 volume 0.28420E-01 ppm1 1.475 ppm2 1.734 CV 1 OR { 2308} (( segid " A" and resid 234 and name HG2 )) (( segid " A" and resid 234 and name HD1 )) OR { 2308} (( segid " A" and resid 259 and name HG2 )) (( segid " A" and resid 259 and name HD1 )) ASSI { 2309} ( segid " A" and resid 116 and name HG2%) (( segid " A" and resid 184 and name HB2 )) 6.000 4.500 0.000 peak 2309 spectrum 1 weight 0.10000E+01 volume 0.27868E-02 ppm1 0.704 ppm2 1.719 CV 1 OR { 2309} ( segid " A" and resid 116 and name HG2%) (( segid " A" and resid 184 and name HD2 )) OR { 2309} ( segid " A" and resid 116 and name HG2%) (( segid " A" and resid 184 and name HD1 )) OR { 2309} ( segid " A" and resid 272 and name HD2%) (( segid " A" and resid 281 and name HB1 )) OR { 2309} ( segid " A" and resid 272 and name HD2%) (( segid " A" and resid 281 and name HB2 )) ASSI { 2310} ( segid " A" and resid 286 and name HG1%) (( segid " A" and resid 284 and name HD1 )) 6.000 4.500 0.000 peak 2310 spectrum 1 weight 0.10000E+01 volume 0.25274E-02 ppm1 0.781 ppm2 1.745 CV 1 OR { 2310} ( segid " A" and resid 286 and name HG1%) (( segid " A" and resid 284 and name HD2 )) ASSI { 2311} ( segid " A" and resid 241 and name HB% ) (( segid " A" and resid 250 and name HD1 )) 6.000 4.500 0.000 peak 2311 spectrum 1 weight 0.10000E+01 volume 0.42462E-02 ppm1 0.776 ppm2 1.745 CV 1 ASSI { 2312} ( segid " A" and resid 166 and name HB% ) (( segid " A" and resid 163 and name HB1 )) 6.000 4.500 0.000 peak 2312 spectrum 1 weight 0.10000E+01 volume 0.82708E-02 ppm1 1.443 ppm2 1.725 CV 1 OR { 2312} ( segid " A" and resid 109 and name HB% ) (( segid " A" and resid 110 and name HG11)) OR { 2312} ( segid " A" and resid 107 and name HB% ) (( segid " A" and resid 110 and name HG11)) OR { 2312} ( segid " A" and resid 109 and name HB% ) (( segid " A" and resid 113 and name HB2 )) OR { 2312} ( segid " A" and resid 107 and name HB% ) (( segid " A" and resid 108 and name HG )) OR { 2312} ( segid " A" and resid 109 and name HB% ) (( segid " A" and resid 113 and name HG2 )) OR { 2312} ( segid " A" and resid 109 and name HB% ) (( segid " A" and resid 108 and name HG )) ASSI { 2313} ( segid " A" and resid 169 and name HB% ) (( segid " A" and resid 170 and name HB2 )) 6.000 4.500 0.000 peak 2313 spectrum 1 weight 0.10000E+01 volume 0.27468E-02 ppm1 1.345 ppm2 1.745 CV 1 OR { 2313} ( segid " A" and resid 169 and name HB% ) (( segid " A" and resid 172 and name HB2 )) ASSI { 2314} ( segid " A" and resid 197 and name HD1%) (( segid " A" and resid 196 and name HB1 )) 6.000 4.500 0.000 peak 2314 spectrum 1 weight 0.10000E+01 volume 0.46527E-02 ppm1 0.786 ppm2 1.736 CV 1 ASSI { 2317} (( segid " A" and resid 112 and name HA )) (( segid " A" and resid 163 and name HB1 )) 6.000 4.500 0.000 peak 2317 spectrum 1 weight 0.10000E+01 volume 0.95042E-03 ppm1 4.154 ppm2 1.703 CV 1 ASSI { 2319} (( segid " A" and resid 110 and name HB )) (( segid " A" and resid 110 and name HG11)) 6.000 4.500 0.000 peak 2319 spectrum 1 weight 0.10000E+01 volume 0.33760E-02 ppm1 1.877 ppm2 1.713 CV 1 ASSI { 2320} (( segid " A" and resid 159 and name HB2 )) (( segid " A" and resid 159 and name HB1 )) 6.000 4.500 0.000 peak 2320 spectrum 1 weight 0.10000E+01 volume 0.36181E-02 ppm1 2.035 ppm2 1.707 CV 1 ASSI { 2321} (( segid " A" and resid 110 and name HG12)) (( segid " A" and resid 110 and name HG11)) 6.000 4.500 0.000 peak 2321 spectrum 1 weight 0.10000E+01 volume 0.71811E-02 ppm1 1.036 ppm2 1.701 CV 1 ASSI { 2322} (( segid " A" and resid 210 and name HG1 )) (( segid " A" and resid 210 and name HG2 )) 6.000 4.500 0.000 peak 2322 spectrum 1 weight 0.10000E+01 volume 0.52742E-02 ppm1 1.469 ppm2 1.707 CV 1 ASSI { 2324} ( segid " A" and resid 108 and name HD1%) (( segid " A" and resid 108 and name HG )) 6.000 4.500 0.000 peak 2324 spectrum 1 weight 0.10000E+01 volume 0.17145E-01 ppm1 0.831 ppm2 1.715 CV 1 ASSI { 2325} (( segid " A" and resid 236 and name HG2 )) (( segid " A" and resid 236 and name HB1 )) 6.000 4.500 0.000 peak 2325 spectrum 1 weight 0.10000E+01 volume 0.26539E-01 ppm1 1.356 ppm2 1.710 CV 1 OR { 2325} (( segid " A" and resid 184 and name HG2 )) (( segid " A" and resid 184 and name HB2 )) OR { 2325} (( segid " A" and resid 184 and name HG2 )) (( segid " A" and resid 184 and name HD1 )) OR { 2325} (( segid " A" and resid 184 and name HG2 )) (( segid " A" and resid 184 and name HD2 )) OR { 2325} (( segid " A" and resid 236 and name HG1 )) (( segid " A" and resid 236 and name HB1 )) ASSI { 2326} ( segid " A" and resid 108 and name HD2%) (( segid " A" and resid 108 and name HG )) 6.000 4.500 0.000 peak 2326 spectrum 1 weight 0.10000E+01 volume 0.16345E-01 ppm1 0.867 ppm2 1.709 CV 1 ASSI { 2327} ( segid " A" and resid 287 and name HG2%) (( segid " A" and resid 163 and name HB1 )) 6.000 4.500 0.000 peak 2327 spectrum 1 weight 0.10000E+01 volume 0.42354E-02 ppm1 1.078 ppm2 1.712 CV 1 ASSI { 2328} ( segid " A" and resid 114 and name HG1%) (( segid " A" and resid 113 and name HB2 )) 6.000 4.500 0.000 peak 2328 spectrum 1 weight 0.10000E+01 volume 0.47251E-02 ppm1 0.886 ppm2 1.714 CV 1 OR { 2328} ( segid " A" and resid 114 and name HG1%) (( segid " A" and resid 113 and name HG2 )) OR { 2328} ( segid " A" and resid 114 and name HG1%) (( segid " A" and resid 170 and name HG )) ASSI { 2329} ( segid " A" and resid 286 and name HG2%) (( segid " A" and resid 163 and name HB1 )) 6.000 4.500 0.000 peak 2329 spectrum 1 weight 0.10000E+01 volume 0.52115E-02 ppm1 0.552 ppm2 1.697 CV 1 ASSI { 2330} ( segid " A" and resid 110 and name HG2%) (( segid " A" and resid 110 and name HG11)) 6.000 4.500 0.000 peak 2330 spectrum 1 weight 0.10000E+01 volume 0.74038E-02 ppm1 0.837 ppm2 1.712 CV 1 ASSI { 2331} ( segid " A" and resid 111 and name HE% ) (( segid " A" and resid 163 and name HB1 )) 6.000 4.500 0.000 peak 2331 spectrum 1 weight 0.10000E+01 volume 0.85594E-02 ppm1 1.965 ppm2 1.696 CV 1 ASSI { 2332} (( segid " A" and resid 159 and name HG1 )) (( segid " A" and resid 159 and name HB1 )) 6.000 4.500 0.000 peak 2332 spectrum 1 weight 0.10000E+01 volume 0.32225E-02 ppm1 2.016 ppm2 1.680 CV 1 OR { 2332} (( segid " A" and resid 159 and name HG2 )) (( segid " A" and resid 159 and name HB1 )) ASSI { 2333} (( segid " A" and resid 236 and name HB2 )) (( segid " A" and resid 236 and name HB1 )) 6.000 4.500 0.000 peak 2333 spectrum 1 weight 0.10000E+01 volume 0.96491E-02 ppm1 1.495 ppm2 1.689 CV 1 ASSI { 2334} (( segid " A" and resid 149 and name HB )) (( segid " A" and resid 151 and name HB2 )) 6.000 4.500 0.000 peak 2334 spectrum 1 weight 0.10000E+01 volume 0.73887E-03 ppm1 4.113 ppm2 1.651 CV 1 ASSI { 2336} (( segid " A" and resid 151 and name HE1 )) (( segid " A" and resid 151 and name HB2 )) 6.000 4.500 0.000 peak 2336 spectrum 1 weight 0.10000E+01 volume 0.15837E-02 ppm1 2.734 ppm2 1.654 CV 1 OR { 2336} (( segid " A" and resid 151 and name HE2 )) (( segid " A" and resid 151 and name HB2 )) ASSI { 2337} (( segid " A" and resid 151 and name HB1 )) (( segid " A" and resid 151 and name HB2 )) 6.000 4.500 0.000 peak 2337 spectrum 1 weight 0.10000E+01 volume 0.37349E-02 ppm1 1.394 ppm2 1.647 CV 1 ASSI { 2338} (( segid " A" and resid 143 and name HG1 )) (( segid " A" and resid 143 and name HB2 )) 6.000 4.500 0.000 peak 2338 spectrum 1 weight 0.10000E+01 volume 0.35295E-02 ppm1 2.325 ppm2 1.661 CV 1 OR { 2338} (( segid " A" and resid 143 and name HG1 )) (( segid " A" and resid 143 and name HB1 )) ASSI { 2339} (( segid " A" and resid 143 and name HG2 )) (( segid " A" and resid 143 and name HB1 )) 6.000 4.500 0.000 peak 2339 spectrum 1 weight 0.10000E+01 volume 0.39576E-02 ppm1 2.227 ppm2 1.658 CV 1 OR { 2339} (( segid " A" and resid 143 and name HG2 )) (( segid " A" and resid 143 and name HB2 )) ASSI { 2340} (( segid " A" and resid 134 and name HB1 )) (( segid " A" and resid 134 and name HG1 )) 6.000 4.500 0.000 peak 2340 spectrum 1 weight 0.10000E+01 volume 0.70947E-03 ppm1 0.298 ppm2 1.659 CV 1 ASSI { 2341} (( segid " A" and resid 151 and name HD2 )) (( segid " A" and resid 151 and name HB2 )) 6.000 4.500 0.000 peak 2341 spectrum 1 weight 0.10000E+01 volume 0.21728E-02 ppm1 1.303 ppm2 1.647 CV 1 ASSI { 2342} (( segid " A" and resid 141 and name HG11)) (( segid " A" and resid 141 and name HB )) 6.000 4.500 0.000 peak 2342 spectrum 1 weight 0.10000E+01 volume 0.10047E-02 ppm1 0.830 ppm2 1.642 CV 1 ASSI { 2343} (( segid " A" and resid 238 and name HB2 )) (( segid " A" and resid 226 and name HD2 )) 6.000 4.500 0.000 peak 2343 spectrum 1 weight 0.10000E+01 volume 0.10199E-02 ppm1 2.799 ppm2 1.640 CV 1 ASSI { 2344} (( segid " A" and resid 151 and name HG2 )) (( segid " A" and resid 151 and name HB2 )) 6.000 4.500 0.000 peak 2344 spectrum 1 weight 0.10000E+01 volume 0.32538E-02 ppm1 1.202 ppm2 1.640 CV 1 OR { 2344} (( segid " A" and resid 151 and name HG1 )) (( segid " A" and resid 151 and name HB2 )) ASSI { 2345} ( segid " A" and resid 143 and name HE% ) (( segid " A" and resid 143 and name HB1 )) 6.000 4.500 0.000 peak 2345 spectrum 1 weight 0.10000E+01 volume 0.50148E-02 ppm1 1.269 ppm2 1.660 CV 1 OR { 2345} ( segid " A" and resid 143 and name HE% ) (( segid " A" and resid 143 and name HB2 )) ASSI { 2346} (( segid " A" and resid 138 and name HA )) (( segid " A" and resid 138 and name HB )) 6.000 4.500 0.000 peak 2346 spectrum 1 weight 0.10000E+01 volume 0.14323E-02 ppm1 3.748 ppm2 1.625 CV 1 ASSI { 2349} (( segid " A" and resid 257 and name HA )) (( segid " A" and resid 235 and name HB )) 6.000 4.500 0.000 peak 2349 spectrum 1 weight 0.10000E+01 volume 0.54050E-03 ppm1 4.846 ppm2 1.625 CV 1 ASSI { 2350} (( segid " A" and resid 238 and name HA )) (( segid " A" and resid 226 and name HD2 )) 6.000 4.500 0.000 peak 2350 spectrum 1 weight 0.10000E+01 volume 0.56839E-03 ppm1 4.784 ppm2 1.624 CV 1 OR { 2350} (( segid " A" and resid 238 and name HA )) (( segid " A" and resid 235 and name HB )) OR { 2350} (( segid " A" and resid 238 and name HA )) (( segid " A" and resid 210 and name HB1 )) ASSI { 2353} (( segid " A" and resid 243 and name HB2 )) (( segid " A" and resid 242 and name HB1 )) 6.000 4.500 0.000 peak 2353 spectrum 1 weight 0.10000E+01 volume 0.62201E-03 ppm1 2.411 ppm2 1.614 CV 1 OR { 2353} (( segid " A" and resid 243 and name HB2 )) (( segid " A" and resid 248 and name HB1 )) OR { 2353} (( segid " A" and resid 243 and name HB2 )) (( segid " A" and resid 248 and name HD1 )) ASSI { 2354} (( segid " A" and resid 226 and name HE1 )) (( segid " A" and resid 226 and name HD2 )) 6.000 4.500 0.000 peak 2354 spectrum 1 weight 0.10000E+01 volume 0.14983E-01 ppm1 2.841 ppm2 1.633 CV 1 OR { 2354} (( segid " A" and resid 226 and name HE2 )) (( segid " A" and resid 226 and name HD1 )) OR { 2354} (( segid " A" and resid 226 and name HE2 )) (( segid " A" and resid 226 and name HD2 )) ASSI { 2355} (( segid " A" and resid 242 and name HB2 )) (( segid " A" and resid 242 and name HB1 )) 6.000 4.500 0.000 peak 2355 spectrum 1 weight 0.10000E+01 volume 0.49921E-02 ppm1 1.373 ppm2 1.610 CV 1 ASSI { 2356} (( segid " A" and resid 138 and name HG11)) (( segid " A" and resid 138 and name HB )) 6.000 4.500 0.000 peak 2356 spectrum 1 weight 0.10000E+01 volume 0.60926E-03 ppm1 0.315 ppm2 1.623 CV 1 ASSI { 2357} (( segid " A" and resid 198 and name HG11)) (( segid " A" and resid 198 and name HG12)) 6.000 4.500 0.000 peak 2357 spectrum 1 weight 0.10000E+01 volume 0.12378E-02 ppm1 1.235 ppm2 1.614 CV 1 ASSI { 2358} ( segid " A" and resid 158 and name HG1%) (( segid " A" and resid 141 and name HB )) 6.000 4.500 0.000 peak 2358 spectrum 1 weight 0.10000E+01 volume 0.25825E-02 ppm1 0.130 ppm2 1.609 CV 1 OR { 2358} ( segid " A" and resid 158 and name HG1%) (( segid " A" and resid 138 and name HB )) ASSI { 2359} ( segid " A" and resid 235 and name HG2%) (( segid " A" and resid 235 and name HB )) 6.000 4.500 0.000 peak 2359 spectrum 1 weight 0.10000E+01 volume 0.82157E-02 ppm1 0.571 ppm2 1.617 CV 1 ASSI { 2360} ( segid " A" and resid 255 and name HG2%) (( segid " A" and resid 235 and name HB )) 6.000 4.500 0.000 peak 2360 spectrum 1 weight 0.10000E+01 volume 0.18064E-02 ppm1 0.218 ppm2 1.626 CV 1 OR { 2360} ( segid " A" and resid 255 and name HG2%) (( segid " A" and resid 226 and name HD2 )) ASSI { 2361} ( segid " A" and resid 138 and name HG2%) (( segid " A" and resid 138 and name HB )) 6.000 4.500 0.000 peak 2361 spectrum 1 weight 0.10000E+01 volume 0.11880E-01 ppm1 0.534 ppm2 1.629 CV 1 ASSI { 2362} ( segid " A" and resid 141 and name HG2%) (( segid " A" and resid 141 and name HB )) 6.000 4.500 0.000 peak 2362 spectrum 1 weight 0.10000E+01 volume 0.11037E-01 ppm1 0.593 ppm2 1.620 CV 1 ASSI { 2363} ( segid " A" and resid 235 and name HD1%) (( segid " A" and resid 235 and name HB )) 6.000 4.500 0.000 peak 2363 spectrum 1 weight 0.10000E+01 volume 0.47132E-02 ppm1 0.677 ppm2 1.613 CV 1 ASSI { 2364} (( segid " A" and resid 246 and name HB )) (( segid " A" and resid 248 and name HD1 )) 6.000 4.500 0.000 peak 2364 spectrum 1 weight 0.10000E+01 volume 0.17847E-02 ppm1 4.266 ppm2 1.592 CV 1 OR { 2364} (( segid " A" and resid 246 and name HB )) (( segid " A" and resid 248 and name HD2 )) OR { 2364} (( segid " A" and resid 246 and name HB )) (( segid " A" and resid 248 and name HB1 )) ASSI { 2366} (( segid " A" and resid 246 and name HA )) (( segid " A" and resid 248 and name HD1 )) 6.000 4.500 0.000 peak 2366 spectrum 1 weight 0.10000E+01 volume 0.82827E-03 ppm1 4.434 ppm2 1.586 CV 1 OR { 2366} (( segid " A" and resid 246 and name HA )) (( segid " A" and resid 248 and name HD2 )) OR { 2366} (( segid " A" and resid 246 and name HA )) (( segid " A" and resid 248 and name HB1 )) ASSI { 2367} (( segid " A" and resid 116 and name HA )) (( segid " A" and resid 116 and name HB )) 6.000 4.500 0.000 peak 2367 spectrum 1 weight 0.10000E+01 volume 0.20118E-02 ppm1 4.579 ppm2 1.588 CV 1 ASSI { 2368} (( segid " A" and resid 217 and name HA )) (( segid " A" and resid 275 and name HG )) 6.000 4.500 0.000 peak 2368 spectrum 1 weight 0.10000E+01 volume 0.15188E-02 ppm1 3.872 ppm2 1.585 CV 1 OR { 2368} (( segid " A" and resid 135 and name HA )) ( segid " A" and resid 133 and name HB% ) OR { 2368} (( segid " A" and resid 217 and name HA )) (( segid " A" and resid 220 and name HG )) ASSI { 2369} (( segid " A" and resid 130 and name HA )) ( segid " A" and resid 133 and name HB% ) 6.000 4.500 0.000 peak 2369 spectrum 1 weight 0.10000E+01 volume 0.47856E-02 ppm1 4.046 ppm2 1.589 CV 1 ASSI { 2370} (( segid " A" and resid 230 and name HA )) (( segid " A" and resid 235 and name HB )) 6.000 4.500 0.000 peak 2370 spectrum 1 weight 0.10000E+01 volume 0.85194E-03 ppm1 5.045 ppm2 1.601 CV 1 ASSI { 2375} (( segid " A" and resid 230 and name HG1 )) (( segid " A" and resid 235 and name HB )) 6.000 4.500 0.000 peak 2375 spectrum 1 weight 0.10000E+01 volume 0.17080E-02 ppm1 2.553 ppm2 1.607 CV 1 OR { 2375} (( segid " A" and resid 230 and name HG2 )) (( segid " A" and resid 235 and name HB )) OR { 2375} (( segid " A" and resid 230 and name HG1 )) (( segid " A" and resid 234 and name HD2 )) ASSI { 2377} (( segid " A" and resid 248 and name HB2 )) (( segid " A" and resid 248 and name HD1 )) 6.000 4.500 0.000 peak 2377 spectrum 1 weight 0.10000E+01 volume 0.10156E-01 ppm1 1.825 ppm2 1.582 CV 1 OR { 2377} (( segid " A" and resid 248 and name HB2 )) (( segid " A" and resid 248 and name HD2 )) ASSI { 2378} (( segid " A" and resid 217 and name HB2 )) (( segid " A" and resid 275 and name HG )) 6.000 4.500 0.000 peak 2378 spectrum 1 weight 0.10000E+01 volume 0.67704E-03 ppm1 3.058 ppm2 1.596 CV 1 OR { 2378} (( segid " A" and resid 217 and name HB2 )) (( segid " A" and resid 220 and name HG )) ASSI { 2379} (( segid " A" and resid 129 and name HB1 )) ( segid " A" and resid 133 and name HB% ) 6.000 4.500 0.000 peak 2379 spectrum 1 weight 0.10000E+01 volume 0.82816E-02 ppm1 1.874 ppm2 1.594 CV 1 ASSI { 2380} ( segid " A" and resid 220 and name HD2%) (( segid " A" and resid 220 and name HG )) 6.000 4.500 0.000 peak 2380 spectrum 1 weight 0.10000E+01 volume 0.54634E-02 ppm1 0.902 ppm2 1.587 CV 1 ASSI { 2381} (( segid " A" and resid 242 and name HG2 )) (( segid " A" and resid 242 and name HG1 )) 6.000 4.500 0.000 peak 2381 spectrum 1 weight 0.10000E+01 volume 0.93821E-02 ppm1 1.330 ppm2 1.591 CV 1 ASSI { 2382} ( segid " A" and resid 220 and name HD1%) (( segid " A" and resid 220 and name HG )) 6.000 4.500 0.000 peak 2382 spectrum 1 weight 0.10000E+01 volume 0.67920E-02 ppm1 0.693 ppm2 1.597 CV 1 ASSI { 2383} ( segid " A" and resid 266 and name HB% ) (( segid " A" and resid 270 and name HG1 )) 6.000 4.500 0.000 peak 2383 spectrum 1 weight 0.10000E+01 volume 0.13977E-02 ppm1 1.249 ppm2 1.605 CV 1 ASSI { 2384} ( segid " A" and resid 198 and name HG2%) (( segid " A" and resid 198 and name HG12)) 6.000 4.500 0.000 peak 2384 spectrum 1 weight 0.10000E+01 volume 0.51099E-02 ppm1 0.922 ppm2 1.593 CV 1 ASSI { 2385} ( segid " A" and resid 270 and name HE% ) (( segid " A" and resid 270 and name HG1 )) 6.000 4.500 0.000 peak 2385 spectrum 1 weight 0.10000E+01 volume 0.36689E-02 ppm1 0.183 ppm2 1.605 CV 1 ASSI { 2386} (( segid " A" and resid 215 and name HB1 )) (( segid " A" and resid 281 and name HG1 )) 6.000 4.500 0.000 peak 2386 spectrum 1 weight 0.10000E+01 volume 0.74676E-03 ppm1 4.457 ppm2 1.555 CV 1 ASSI { 2387} (( segid " A" and resid 121 and name HA )) (( segid " A" and resid 122 and name HB1 )) 6.000 4.500 0.000 peak 2387 spectrum 1 weight 0.10000E+01 volume 0.26258E-02 ppm1 3.666 ppm2 1.574 CV 1 OR { 2387} (( segid " A" and resid 263 and name HA )) (( segid " A" and resid 259 and name HG1 )) OR { 2387} (( segid " A" and resid 129 and name HA )) (( segid " A" and resid 116 and name HB )) ASSI { 2389} (( segid " A" and resid 169 and name HA )) (( segid " A" and resid 170 and name HB1 )) 6.000 4.500 0.000 peak 2389 spectrum 1 weight 0.10000E+01 volume 0.70449E-03 ppm1 2.393 ppm2 1.559 CV 1 OR { 2389} (( segid " A" and resid 266 and name HA )) (( segid " A" and resid 272 and name HB1 )) ASSI { 2390} (( segid " A" and resid 243 and name HA )) (( segid " A" and resid 242 and name HG1 )) 6.000 4.500 0.000 peak 2390 spectrum 1 weight 0.10000E+01 volume 0.45510E-03 ppm1 4.914 ppm2 1.562 CV 1 ASSI { 2391} (( segid " A" and resid 178 and name HB2 )) (( segid " A" and resid 178 and name HB1 )) 6.000 4.500 0.000 peak 2391 spectrum 1 weight 0.10000E+01 volume 0.66504E-02 ppm1 1.404 ppm2 1.570 CV 1 ASSI { 2394} (( segid " A" and resid 259 and name HE2 )) (( segid " A" and resid 259 and name HG1 )) 6.000 4.500 0.000 peak 2394 spectrum 1 weight 0.10000E+01 volume 0.86156E-02 ppm1 3.042 ppm2 1.576 CV 1 OR { 2394} (( segid " A" and resid 259 and name HE1 )) (( segid " A" and resid 259 and name HG1 )) ASSI { 2396} (( segid " A" and resid 122 and name HG2 )) (( segid " A" and resid 122 and name HB1 )) 6.000 4.500 0.000 peak 2396 spectrum 1 weight 0.10000E+01 volume 0.21847E-02 ppm1 1.729 ppm2 1.561 CV 1 ASSI { 2397} (( segid " A" and resid 203 and name HG2 )) ( segid " A" and resid 202 and name HB% ) 6.000 4.500 0.000 peak 2397 spectrum 1 weight 0.10000E+01 volume 0.86989E-03 ppm1 2.300 ppm2 1.560 CV 1 OR { 2397} (( segid " A" and resid 203 and name HG1 )) ( segid " A" and resid 202 and name HB% ) ASSI { 2398} (( segid " A" and resid 259 and name HB1 )) (( segid " A" and resid 259 and name HG1 )) 6.000 4.500 0.000 peak 2398 spectrum 1 weight 0.10000E+01 volume 0.22150E-02 ppm1 2.017 ppm2 1.572 CV 1 ASSI { 2400} (( segid " A" and resid 217 and name HB1 )) (( segid " A" and resid 275 and name HG )) 6.000 4.500 0.000 peak 2400 spectrum 1 weight 0.10000E+01 volume 0.68287E-03 ppm1 2.800 ppm2 1.563 CV 1 ASSI { 2401} ( segid " A" and resid 275 and name HD2%) (( segid " A" and resid 275 and name HG )) 6.000 4.500 0.000 peak 2401 spectrum 1 weight 0.10000E+01 volume 0.80038E-02 ppm1 0.968 ppm2 1.574 CV 1 ASSI { 2402} ( segid " A" and resid 275 and name HD1%) (( segid " A" and resid 275 and name HG )) 6.000 4.500 0.000 peak 2402 spectrum 1 weight 0.10000E+01 volume 0.11697E-01 ppm1 1.043 ppm2 1.570 CV 1 ASSI { 2403} ( segid " A" and resid 116 and name HG1%) (( segid " A" and resid 116 and name HB )) 6.000 4.500 0.000 peak 2403 spectrum 1 weight 0.10000E+01 volume 0.54786E-02 ppm1 0.289 ppm2 1.556 CV 1 ASSI { 2404} ( segid " A" and resid 119 and name HG2%) (( segid " A" and resid 122 and name HB1 )) 6.000 4.500 0.000 peak 2404 spectrum 1 weight 0.10000E+01 volume 0.18561E-02 ppm1 0.691 ppm2 1.555 CV 1 OR { 2404} ( segid " A" and resid 119 and name HG2%) (( segid " A" and resid 116 and name HB )) OR { 2404} ( segid " A" and resid 119 and name HG2%) (( segid " A" and resid 181 and name HG2 )) OR { 2404} ( segid " A" and resid 119 and name HG2%) (( segid " A" and resid 181 and name HG1 )) ASSI { 2405} ( segid " A" and resid 119 and name HD1%) (( segid " A" and resid 116 and name HB )) 6.000 4.500 0.000 peak 2405 spectrum 1 weight 0.10000E+01 volume 0.22680E-02 ppm1 0.240 ppm2 1.559 CV 1 ASSI { 2406} (( segid " A" and resid 287 and name HB )) ( segid " A" and resid 285 and name HB% ) 6.000 4.500 0.000 peak 2406 spectrum 1 weight 0.10000E+01 volume 0.56212E-03 ppm1 4.201 ppm2 1.528 CV 1 ASSI { 2407} (( segid " A" and resid 286 and name HA )) ( segid " A" and resid 202 and name HB% ) 6.000 4.500 0.000 peak 2407 spectrum 1 weight 0.10000E+01 volume 0.18431E-02 ppm1 4.502 ppm2 1.546 CV 1 OR { 2407} (( segid " A" and resid 286 and name HA )) (( segid " A" and resid 284 and name HG1 )) ASSI { 2408} (( segid " A" and resid 199 and name HA )) ( segid " A" and resid 202 and name HB% ) 6.000 4.500 0.000 peak 2408 spectrum 1 weight 0.10000E+01 volume 0.60137E-02 ppm1 4.391 ppm2 1.551 CV 1 OR { 2408} (( segid " A" and resid 284 and name HA )) (( segid " A" and resid 284 and name HG1 )) OR { 2408} (( segid " A" and resid 284 and name HA )) (( segid " A" and resid 284 and name HG2 )) ASSI { 2415} (( segid " A" and resid 129 and name HD2 )) (( segid " A" and resid 129 and name HG1 )) 6.000 4.500 0.000 peak 2415 spectrum 1 weight 0.10000E+01 volume 0.52667E-02 ppm1 3.330 ppm2 1.535 CV 1 OR { 2415} (( segid " A" and resid 129 and name HD2 )) (( segid " A" and resid 129 and name HG2 )) ASSI { 2416} (( segid " A" and resid 168 and name HB2 )) (( segid " A" and resid 168 and name HB1 )) 6.000 4.500 0.000 peak 2416 spectrum 1 weight 0.10000E+01 volume 0.19372E-02 ppm1 1.859 ppm2 1.540 CV 1 ASSI { 2417} (( segid " A" and resid 199 and name HB2 )) ( segid " A" and resid 202 and name HB% ) 6.000 4.500 0.000 peak 2417 spectrum 1 weight 0.10000E+01 volume 0.66817E-03 ppm1 2.690 ppm2 1.552 CV 1 ASSI { 2418} (( segid " A" and resid 199 and name HB1 )) ( segid " A" and resid 202 and name HB% ) 6.000 4.500 0.000 peak 2418 spectrum 1 weight 0.10000E+01 volume 0.67498E-03 ppm1 2.639 ppm2 1.546 CV 1 OR { 2418} (( segid " A" and resid 222 and name HB1 )) (( segid " A" and resid 225 and name HG12)) ASSI { 2420} (( segid " A" and resid 122 and name HG1 )) (( segid " A" and resid 122 and name HB1 )) 6.000 4.500 0.000 peak 2420 spectrum 1 weight 0.10000E+01 volume 0.31836E-02 ppm1 1.819 ppm2 1.549 CV 1 ASSI { 2421} (( segid " A" and resid 139 and name HB1 )) (( segid " A" and resid 139 and name HB2 )) 6.000 4.500 0.000 peak 2421 spectrum 1 weight 0.10000E+01 volume 0.54872E-02 ppm1 1.417 ppm2 1.528 CV 1 ASSI { 2425} ( segid " A" and resid 168 and name HD2%) (( segid " A" and resid 168 and name HB1 )) 6.000 4.500 0.000 peak 2425 spectrum 1 weight 0.10000E+01 volume 0.59423E-02 ppm1 1.014 ppm2 1.529 CV 1 ASSI { 2426} ( segid " A" and resid 267 and name HG1%) (( segid " A" and resid 284 and name HG1 )) 6.000 4.500 0.000 peak 2426 spectrum 1 weight 0.10000E+01 volume 0.71260E-02 ppm1 0.962 ppm2 1.533 CV 1 OR { 2426} ( segid " A" and resid 267 and name HG1%) (( segid " A" and resid 284 and name HG2 )) ASSI { 2427} ( segid " A" and resid 213 and name HG1%) (( segid " A" and resid 225 and name HG12)) 6.000 4.500 0.000 peak 2427 spectrum 1 weight 0.10000E+01 volume 0.25512E-02 ppm1 0.342 ppm2 1.529 CV 1 OR { 2427} ( segid " A" and resid 213 and name HG1%) ( segid " A" and resid 285 and name HB% ) ASSI { 2428} ( segid " A" and resid 205 and name HB% ) ( segid " A" and resid 285 and name HB% ) 6.000 4.500 0.000 peak 2428 spectrum 1 weight 0.10000E+01 volume 0.90383E-02 ppm1 1.145 ppm2 1.536 CV 1 ASSI { 2429} (( segid " A" and resid 225 and name HA )) (( segid " A" and resid 225 and name HG12)) 6.000 4.500 0.000 peak 2429 spectrum 1 weight 0.10000E+01 volume 0.10353E-02 ppm1 3.827 ppm2 1.515 CV 1 ASSI { 2430} (( segid " A" and resid 183 and name HA )) (( segid " A" and resid 183 and name HG12)) 6.000 4.500 0.000 peak 2430 spectrum 1 weight 0.10000E+01 volume 0.12323E-02 ppm1 4.652 ppm2 1.507 CV 1 OR { 2430} (( segid " A" and resid 183 and name HA )) (( segid " A" and resid 183 and name HG11)) ASSI { 2432} (( segid " A" and resid 211 and name HA )) ( segid " A" and resid 285 and name HB% ) 6.000 4.500 0.000 peak 2432 spectrum 1 weight 0.10000E+01 volume 0.85735E-03 ppm1 5.081 ppm2 1.521 CV 1 OR { 2432} (( segid " A" and resid 211 and name HA )) (( segid " A" and resid 284 and name HG1 )) ASSI { 2435} (( segid " A" and resid 183 and name HB )) (( segid " A" and resid 183 and name HG11)) 6.000 4.500 0.000 peak 2435 spectrum 1 weight 0.10000E+01 volume 0.17566E-02 ppm1 2.019 ppm2 1.509 CV 1 OR { 2435} (( segid " A" and resid 183 and name HB )) (( segid " A" and resid 183 and name HG12)) ASSI { 2436} (( segid " A" and resid 225 and name HB )) (( segid " A" and resid 225 and name HG12)) 6.000 4.500 0.000 peak 2436 spectrum 1 weight 0.10000E+01 volume 0.25198E-02 ppm1 1.829 ppm2 1.519 CV 1 ASSI { 2438} (( segid " A" and resid 249 and name HB1 )) (( segid " A" and resid 250 and name HG2 )) 6.000 4.500 0.000 peak 2438 spectrum 1 weight 0.10000E+01 volume 0.45921E-03 ppm1 3.267 ppm2 1.503 CV 1 ASSI { 2439} (( segid " A" and resid 225 and name HG11)) (( segid " A" and resid 225 and name HG12)) 6.000 4.500 0.000 peak 2439 spectrum 1 weight 0.10000E+01 volume 0.47467E-02 ppm1 1.041 ppm2 1.512 CV 1 ASSI { 2440} ( segid " A" and resid 272 and name HD2%) (( segid " A" and resid 272 and name HB1 )) 6.000 4.500 0.000 peak 2440 spectrum 1 weight 0.10000E+01 volume 0.22388E-01 ppm1 0.701 ppm2 1.521 CV 1 ASSI { 2441} ( segid " A" and resid 213 and name HG2%) (( segid " A" and resid 225 and name HG12)) 6.000 4.500 0.000 peak 2441 spectrum 1 weight 0.10000E+01 volume 0.23544E-02 ppm1 0.405 ppm2 1.501 CV 1 OR { 2441} ( segid " A" and resid 213 and name HG2%) (( segid " A" and resid 281 and name HG1 )) OR { 2441} ( segid " A" and resid 213 and name HG2%) (( segid " A" and resid 240 and name HB2 )) ASSI { 2442} ( segid " A" and resid 183 and name HG2%) (( segid " A" and resid 183 and name HG12)) 6.000 4.500 0.000 peak 2442 spectrum 1 weight 0.10000E+01 volume 0.11534E-01 ppm1 0.947 ppm2 1.525 CV 1 OR { 2442} ( segid " A" and resid 183 and name HG2%) (( segid " A" and resid 183 and name HG11)) ASSI { 2443} ( segid " A" and resid 225 and name HG2%) (( segid " A" and resid 225 and name HG12)) 6.000 4.500 0.000 peak 2443 spectrum 1 weight 0.10000E+01 volume 0.45186E-02 ppm1 0.614 ppm2 1.526 CV 1 ASSI { 2444} ( segid " A" and resid 255 and name HD1%) (( segid " A" and resid 225 and name HG12)) 6.000 4.500 0.000 peak 2444 spectrum 1 weight 0.10000E+01 volume 0.10325E-02 ppm1 -0.126 ppm2 1.524 CV 1 ASSI { 2445} ( segid " A" and resid 225 and name HD1%) (( segid " A" and resid 225 and name HG12)) 6.000 4.500 0.000 peak 2445 spectrum 1 weight 0.10000E+01 volume 0.63747E-02 ppm1 0.633 ppm2 1.521 CV 1 ASSI { 2447} (( segid " A" and resid 236 and name HA )) (( segid " A" and resid 236 and name HB2 )) 6.000 4.500 0.000 peak 2447 spectrum 1 weight 0.10000E+01 volume 0.81486E-02 ppm1 4.304 ppm2 1.480 CV 1 ASSI { 2449} (( segid " A" and resid 243 and name HB2 )) (( segid " A" and resid 250 and name HG2 )) 6.000 4.500 0.000 peak 2449 spectrum 1 weight 0.10000E+01 volume 0.52872E-03 ppm1 2.401 ppm2 1.489 CV 1 ASSI { 2450} (( segid " A" and resid 259 and name HE1 )) (( segid " A" and resid 259 and name HG2 )) 6.000 4.500 0.000 peak 2450 spectrum 1 weight 0.10000E+01 volume 0.84157E-02 ppm1 3.043 ppm2 1.484 CV 1 OR { 2450} (( segid " A" and resid 259 and name HE2 )) (( segid " A" and resid 259 and name HG2 )) ASSI { 2452} (( segid " A" and resid 240 and name HB1 )) (( segid " A" and resid 240 and name HB2 )) 6.000 4.500 0.000 peak 2452 spectrum 1 weight 0.10000E+01 volume 0.59542E-03 ppm1 0.776 ppm2 1.473 CV 1 ASSI { 2454} (( segid " A" and resid 258 and name HG1 )) (( segid " A" and resid 259 and name HG2 )) 6.000 4.500 0.000 peak 2454 spectrum 1 weight 0.10000E+01 volume 0.42635E-02 ppm1 2.211 ppm2 1.496 CV 1 OR { 2454} (( segid " A" and resid 258 and name HG1 )) (( segid " A" and resid 236 and name HB2 )) OR { 2454} (( segid " A" and resid 258 and name HG1 )) (( segid " A" and resid 234 and name HG2 )) OR { 2454} (( segid " A" and resid 256 and name HG1 )) (( segid " A" and resid 236 and name HB2 )) ASSI { 2455} (( segid " A" and resid 258 and name HG2 )) (( segid " A" and resid 259 and name HG2 )) 6.000 4.500 0.000 peak 2455 spectrum 1 weight 0.10000E+01 volume 0.29090E-02 ppm1 2.115 ppm2 1.479 CV 1 OR { 2455} (( segid " A" and resid 258 and name HG2 )) (( segid " A" and resid 234 and name HG2 )) ASSI { 2459} (( segid " A" and resid 141 and name HG11)) (( segid " A" and resid 141 and name HG12)) 6.000 4.500 0.000 peak 2459 spectrum 1 weight 0.10000E+01 volume 0.25350E-02 ppm1 0.825 ppm2 1.484 CV 1 ASSI { 2460} ( segid " A" and resid 240 and name HD1%) (( segid " A" and resid 240 and name HB2 )) 6.000 4.500 0.000 peak 2460 spectrum 1 weight 0.10000E+01 volume 0.47964E-02 ppm1 -0.085 ppm2 1.484 CV 1 ASSI { 2461} ( segid " A" and resid 185 and name HG1%) (( segid " A" and resid 183 and name HG11)) 6.000 4.500 0.000 peak 2461 spectrum 1 weight 0.10000E+01 volume 0.12399E-01 ppm1 0.987 ppm2 1.489 CV 1 OR { 2461} ( segid " A" and resid 185 and name HG1%) (( segid " A" and resid 183 and name HG12)) ASSI { 2462} ( segid " A" and resid 240 and name HD2%) (( segid " A" and resid 240 and name HB2 )) 6.000 4.500 0.000 peak 2462 spectrum 1 weight 0.10000E+01 volume 0.42970E-02 ppm1 0.083 ppm2 1.484 CV 1 ASSI { 2463} ( segid " A" and resid 241 and name HB% ) (( segid " A" and resid 250 and name HG2 )) 6.000 4.500 0.000 peak 2463 spectrum 1 weight 0.10000E+01 volume 0.31998E-02 ppm1 0.779 ppm2 1.481 CV 1 OR { 2463} ( segid " A" and resid 162 and name HG2%) ( segid " A" and resid 166 and name HB% ) ASSI { 2464} ( segid " A" and resid 138 and name HG2%) (( segid " A" and resid 141 and name HG12)) 6.000 4.500 0.000 peak 2464 spectrum 1 weight 0.10000E+01 volume 0.83821E-02 ppm1 0.534 ppm2 1.493 CV 1 ASSI { 2465} (( segid " A" and resid 198 and name HA )) (( segid " A" and resid 201 and name HB1 )) 6.000 4.500 0.000 peak 2465 spectrum 1 weight 0.10000E+01 volume 0.18010E-02 ppm1 3.549 ppm2 1.457 CV 1 ASSI { 2466} (( segid " A" and resid 163 and name HA )) ( segid " A" and resid 166 and name HB% ) 6.000 4.500 0.000 peak 2466 spectrum 1 weight 0.10000E+01 volume 0.15685E-02 ppm1 4.140 ppm2 1.460 CV 1 ASSI { 2468} (( segid " A" and resid 112 and name HA )) ( segid " A" and resid 166 and name HB% ) 6.000 4.500 0.000 peak 2468 spectrum 1 weight 0.10000E+01 volume 0.27587E-02 ppm1 4.150 ppm2 1.457 CV 1 ASSI { 2470} (( segid " A" and resid 287 and name HA )) (( segid " A" and resid 201 and name HB1 )) 6.000 4.500 0.000 peak 2470 spectrum 1 weight 0.10000E+01 volume 0.90329E-03 ppm1 4.643 ppm2 1.449 CV 1 ASSI { 2473} (( segid " A" and resid 288 and name HD1 )) (( segid " A" and resid 201 and name HB1 )) 6.000 4.500 0.000 peak 2473 spectrum 1 weight 0.10000E+01 volume 0.71238E-03 ppm1 3.511 ppm2 1.460 CV 1 ASSI { 2475} (( segid " A" and resid 250 and name HE1 )) (( segid " A" and resid 250 and name HG2 )) 6.000 4.500 0.000 peak 2475 spectrum 1 weight 0.10000E+01 volume 0.23177E-01 ppm1 2.984 ppm2 1.470 CV 1 OR { 2475} (( segid " A" and resid 184 and name HE2 )) (( segid " A" and resid 184 and name HG1 )) OR { 2475} (( segid " A" and resid 184 and name HE1 )) (( segid " A" and resid 184 and name HG1 )) ASSI { 2477} (( segid " A" and resid 132 and name HB1 )) ( segid " A" and resid 131 and name HB% ) 6.000 4.500 0.000 peak 2477 spectrum 1 weight 0.10000E+01 volume 0.51899E-03 ppm1 2.842 ppm2 1.448 CV 1 OR { 2477} (( segid " A" and resid 132 and name HB1 )) (( segid " A" and resid 158 and name HB )) ASSI { 2479} (( segid " A" and resid 114 and name HB )) ( segid " A" and resid 166 and name HB% ) 6.000 4.500 0.000 peak 2479 spectrum 1 weight 0.10000E+01 volume 0.18485E-02 ppm1 2.093 ppm2 1.445 CV 1 ASSI { 2480} (( segid " A" and resid 200 and name HG1 )) (( segid " A" and resid 201 and name HB1 )) 6.000 4.500 0.000 peak 2480 spectrum 1 weight 0.10000E+01 volume 0.10853E-02 ppm1 2.544 ppm2 1.459 CV 1 OR { 2480} (( segid " A" and resid 130 and name HG2 )) ( segid " A" and resid 131 and name HB% ) OR { 2480} (( segid " A" and resid 200 and name HG1 )) (( segid " A" and resid 197 and name HG12)) ASSI { 2481} (( segid " A" and resid 112 and name HB1 )) ( segid " A" and resid 166 and name HB% ) 6.000 4.500 0.000 peak 2481 spectrum 1 weight 0.10000E+01 volume 0.67401E-03 ppm1 3.565 ppm2 1.455 CV 1 ASSI { 2482} (( segid " A" and resid 193 and name HB1 )) ( segid " A" and resid 194 and name HB% ) 6.000 4.500 0.000 peak 2482 spectrum 1 weight 0.10000E+01 volume 0.49997E-02 ppm1 2.160 ppm2 1.447 CV 1 OR { 2482} (( segid " A" and resid 130 and name HB2 )) ( segid " A" and resid 131 and name HB% ) OR { 2482} (( segid " A" and resid 130 and name HB1 )) ( segid " A" and resid 131 and name HB% ) ASSI { 2483} ( segid " A" and resid 201 and name HD1%) (( segid " A" and resid 201 and name HB1 )) 6.000 4.500 0.000 peak 2483 spectrum 1 weight 0.10000E+01 volume 0.57618E-02 ppm1 0.788 ppm2 1.458 CV 1 ASSI { 2484} ( segid " A" and resid 114 and name HG2%) ( segid " A" and resid 166 and name HB% ) 6.000 4.500 0.000 peak 2484 spectrum 1 weight 0.10000E+01 volume 0.16031E-01 ppm1 0.923 ppm2 1.446 CV 1 ASSI { 2485} ( segid " A" and resid 165 and name HB% ) ( segid " A" and resid 166 and name HB% ) 6.000 4.500 0.000 peak 2485 spectrum 1 weight 0.10000E+01 volume 0.17783E-02 ppm1 0.647 ppm2 1.469 CV 1 ASSI { 2486} ( segid " A" and resid 197 and name HG2%) (( segid " A" and resid 197 and name HG12)) 6.000 4.500 0.000 peak 2486 spectrum 1 weight 0.10000E+01 volume 0.23209E-01 ppm1 0.876 ppm2 1.468 CV 1 ASSI { 2487} ( segid " A" and resid 111 and name HE% ) ( segid " A" and resid 166 and name HB% ) 6.000 4.500 0.000 peak 2487 spectrum 1 weight 0.10000E+01 volume 0.55650E-02 ppm1 1.964 ppm2 1.465 CV 1 OR { 2487} ( segid " A" and resid 111 and name HE% ) (( segid " A" and resid 201 and name HB1 )) OR { 2487} ( segid " A" and resid 111 and name HE% ) ( segid " A" and resid 107 and name HB% ) ASSI { 2488} ( segid " A" and resid 198 and name HG2%) (( segid " A" and resid 201 and name HB1 )) 6.000 4.500 0.000 peak 2488 spectrum 1 weight 0.10000E+01 volume 0.41413E-02 ppm1 0.923 ppm2 1.458 CV 1 OR { 2488} ( segid " A" and resid 198 and name HG2%) ( segid " A" and resid 194 and name HB% ) ASSI { 2489} ( segid " A" and resid 197 and name HD1%) (( segid " A" and resid 197 and name HG12)) 6.000 4.500 0.000 peak 2489 spectrum 1 weight 0.10000E+01 volume 0.25469E-01 ppm1 0.786 ppm2 1.462 CV 1 ASSI { 2490} (( segid " A" and resid 287 and name HB )) (( segid " A" and resid 201 and name HB1 )) 6.000 4.500 0.000 peak 2490 spectrum 1 weight 0.10000E+01 volume 0.69963E-03 ppm1 4.198 ppm2 1.430 CV 1 ASSI { 2491} (( segid " A" and resid 110 and name HA )) ( segid " A" and resid 109 and name HB% ) 6.000 4.500 0.000 peak 2491 spectrum 1 weight 0.10000E+01 volume 0.22766E-02 ppm1 3.673 ppm2 1.435 CV 1 ASSI { 2493} (( segid " A" and resid 132 and name HA )) ( segid " A" and resid 131 and name HB% ) 6.000 4.500 0.000 peak 2493 spectrum 1 weight 0.10000E+01 volume 0.12518E-02 ppm1 4.728 ppm2 1.431 CV 1 OR { 2493} (( segid " A" and resid 114 and name HA )) ( segid " A" and resid 166 and name HB% ) ASSI { 2494} (( segid " A" and resid 217 and name HA )) (( segid " A" and resid 275 and name HB1 )) 6.000 4.500 0.000 peak 2494 spectrum 1 weight 0.10000E+01 volume 0.13859E-02 ppm1 3.870 ppm2 1.441 CV 1 OR { 2494} (( segid " A" and resid 135 and name HA )) ( segid " A" and resid 166 and name HB% ) ASSI { 2495} (( segid " A" and resid 160 and name HA )) (( segid " A" and resid 139 and name HB1 )) 6.000 4.500 0.000 peak 2495 spectrum 1 weight 0.10000E+01 volume 0.60374E-03 ppm1 5.121 ppm2 1.435 CV 1 ASSI { 2502} (( segid " A" and resid 191 and name HB )) (( segid " A" and resid 191 and name HG12)) 6.000 4.500 0.000 peak 2502 spectrum 1 weight 0.10000E+01 volume 0.41240E-02 ppm1 1.880 ppm2 1.431 CV 1 ASSI { 2503} (( segid " A" and resid 184 and name HB2 )) (( segid " A" and resid 184 and name HG1 )) 6.000 4.500 0.000 peak 2503 spectrum 1 weight 0.10000E+01 volume 0.42138E-02 ppm1 1.737 ppm2 1.441 CV 1 ASSI { 2504} (( segid " A" and resid 162 and name HB )) ( segid " A" and resid 166 and name HB% ) 6.000 4.500 0.000 peak 2504 spectrum 1 weight 0.10000E+01 volume 0.64363E-03 ppm1 2.200 ppm2 1.441 CV 1 ASSI { 2505} (( segid " A" and resid 193 and name HG1 )) ( segid " A" and resid 194 and name HB% ) 6.000 4.500 0.000 peak 2505 spectrum 1 weight 0.10000E+01 volume 0.45521E-02 ppm1 2.411 ppm2 1.443 CV 1 OR { 2505} (( segid " A" and resid 193 and name HG2 )) ( segid " A" and resid 194 and name HB% ) OR { 2505} (( segid " A" and resid 130 and name HG1 )) ( segid " A" and resid 131 and name HB% ) ASSI { 2506} (( segid " A" and resid 264 and name HG1 )) ( segid " A" and resid 260 and name HB% ) 6.000 4.500 0.000 peak 2506 spectrum 1 weight 0.10000E+01 volume 0.30928E-02 ppm1 2.368 ppm2 1.432 CV 1 OR { 2506} (( segid " A" and resid 195 and name HG1 )) (( segid " A" and resid 191 and name HG12)) OR { 2506} (( segid " A" and resid 264 and name HG2 )) ( segid " A" and resid 260 and name HB% ) OR { 2506} (( segid " A" and resid 195 and name HG1 )) ( segid " A" and resid 194 and name HB% ) OR { 2506} (( segid " A" and resid 195 and name HG2 )) ( segid " A" and resid 194 and name HB% ) OR { 2506} (( segid " A" and resid 200 and name HG2 )) (( segid " A" and resid 201 and name HB1 )) ASSI { 2508} (( segid " A" and resid 110 and name HG12)) ( segid " A" and resid 109 and name HB% ) 6.000 4.500 0.000 peak 2508 spectrum 1 weight 0.10000E+01 volume 0.14010E-02 ppm1 1.034 ppm2 1.434 CV 1 ASSI { 2509} (( segid " A" and resid 191 and name HG11)) (( segid " A" and resid 191 and name HG12)) 6.000 4.500 0.000 peak 2509 spectrum 1 weight 0.10000E+01 volume 0.95940E-02 ppm1 1.240 ppm2 1.424 CV 1 ASSI { 2510} ( segid " A" and resid 220 and name HD1%) (( segid " A" and resid 275 and name HB1 )) 6.000 4.500 0.000 peak 2510 spectrum 1 weight 0.10000E+01 volume 0.26571E-02 ppm1 0.692 ppm2 1.443 CV 1 ASSI { 2511} ( segid " A" and resid 158 and name HG1%) (( segid " A" and resid 158 and name HB )) 6.000 4.500 0.000 peak 2511 spectrum 1 weight 0.10000E+01 volume 0.67055E-02 ppm1 0.130 ppm2 1.438 CV 1 ASSI { 2512} ( segid " A" and resid 114 and name HG1%) (( segid " A" and resid 158 and name HB )) 6.000 4.500 0.000 peak 2512 spectrum 1 weight 0.10000E+01 volume 0.17318E-01 ppm1 0.886 ppm2 1.437 CV 1 ASSI { 2513} ( segid " A" and resid 158 and name HG2%) (( segid " A" and resid 158 and name HB )) 6.000 4.500 0.000 peak 2513 spectrum 1 weight 0.10000E+01 volume 0.68233E-02 ppm1 0.030 ppm2 1.438 CV 1 ASSI { 2514} ( segid " A" and resid 110 and name HG2%) ( segid " A" and resid 109 and name HB% ) 6.000 4.500 0.000 peak 2514 spectrum 1 weight 0.10000E+01 volume 0.12561E-01 ppm1 0.838 ppm2 1.433 CV 1 ASSI { 2515} ( segid " A" and resid 191 and name HD1%) (( segid " A" and resid 191 and name HG12)) 6.000 4.500 0.000 peak 2515 spectrum 1 weight 0.10000E+01 volume 0.17783E-01 ppm1 0.847 ppm2 1.427 CV 1 ASSI { 2516} (( segid " A" and resid 161 and name HA )) (( segid " A" and resid 139 and name HB1 )) 6.000 4.500 0.000 peak 2516 spectrum 1 weight 0.10000E+01 volume 0.16604E-02 ppm1 4.202 ppm2 1.402 CV 1 ASSI { 2517} (( segid " A" and resid 173 and name HA )) ( segid " A" and resid 173 and name HE% ) 6.000 4.500 0.000 peak 2517 spectrum 1 weight 0.10000E+01 volume 0.17458E-02 ppm1 5.030 ppm2 1.413 CV 1 OR { 2517} (( segid " A" and resid 159 and name HA )) (( segid " A" and resid 113 and name HG1 )) ASSI { 2519} (( segid " A" and resid 209 and name HA )) ( segid " A" and resid 260 and name HB% ) 6.000 4.500 0.000 peak 2519 spectrum 1 weight 0.10000E+01 volume 0.69768E-03 ppm1 4.874 ppm2 1.405 CV 1 ASSI { 2520} (( segid " A" and resid 113 and name HD2 )) (( segid " A" and resid 113 and name HG1 )) 6.000 4.500 0.000 peak 2520 spectrum 1 weight 0.10000E+01 volume 0.27241E-02 ppm1 3.072 ppm2 1.396 CV 1 ASSI { 2521} (( segid " A" and resid 113 and name HD1 )) (( segid " A" and resid 113 and name HG1 )) 6.000 4.500 0.000 peak 2521 spectrum 1 weight 0.10000E+01 volume 0.22874E-02 ppm1 2.902 ppm2 1.393 CV 1 ASSI { 2522} (( segid " A" and resid 209 and name HB1 )) ( segid " A" and resid 260 and name HB% ) 6.000 4.500 0.000 peak 2522 spectrum 1 weight 0.10000E+01 volume 0.78806E-03 ppm1 2.650 ppm2 1.413 CV 1 ASSI { 2523} (( segid " A" and resid 184 and name HB1 )) (( segid " A" and resid 184 and name HG1 )) 6.000 4.500 0.000 peak 2523 spectrum 1 weight 0.10000E+01 volume 0.51488E-02 ppm1 1.595 ppm2 1.432 CV 1 ASSI { 2525} ( segid " A" and resid 176 and name HG1%) ( segid " A" and resid 173 and name HE% ) 6.000 4.500 0.000 peak 2525 spectrum 1 weight 0.10000E+01 volume 0.12691E-01 ppm1 1.015 ppm2 1.391 CV 1 OR { 2525} ( segid " A" and resid 185 and name HG1%) ( segid " A" and resid 173 and name HE% ) ASSI { 2526} (( segid " A" and resid 149 and name HB )) (( segid " A" and resid 151 and name HD1 )) 6.000 4.500 0.000 peak 2526 spectrum 1 weight 0.10000E+01 volume 0.18258E-02 ppm1 4.111 ppm2 1.369 CV 1 OR { 2526} (( segid " A" and resid 149 and name HB )) (( segid " A" and resid 151 and name HB1 )) ASSI { 2527} (( segid " A" and resid 140 and name HB1 )) (( segid " A" and resid 139 and name HG2 )) 6.000 4.500 0.000 peak 2527 spectrum 1 weight 0.10000E+01 volume 0.13545E-02 ppm1 3.737 ppm2 1.369 CV 1 ASSI { 2528} (( segid " A" and resid 139 and name HA )) (( segid " A" and resid 139 and name HB1 )) 6.000 4.500 0.000 peak 2528 spectrum 1 weight 0.10000E+01 volume 0.92491E-02 ppm1 4.306 ppm2 1.385 CV 1 OR { 2528} (( segid " A" and resid 139 and name HA )) (( segid " A" and resid 139 and name HG2 )) ASSI { 2529} (( segid " A" and resid 184 and name HA )) (( segid " A" and resid 184 and name HG2 )) 6.000 4.500 0.000 peak 2529 spectrum 1 weight 0.10000E+01 volume 0.28225E-02 ppm1 4.953 ppm2 1.384 CV 1 ASSI { 2530} (( segid " A" and resid 247 and name HA1 )) (( segid " A" and resid 248 and name HG2 )) 6.000 4.500 0.000 peak 2530 spectrum 1 weight 0.10000E+01 volume 0.66914E-03 ppm1 4.218 ppm2 1.363 CV 1 OR { 2530} (( segid " A" and resid 247 and name HA1 )) (( segid " A" and resid 248 and name HG1 )) ASSI { 2535} (( segid " A" and resid 184 and name HB2 )) (( segid " A" and resid 184 and name HG2 )) 6.000 4.500 0.000 peak 2535 spectrum 1 weight 0.10000E+01 volume 0.41132E-02 ppm1 1.739 ppm2 1.371 CV 1 ASSI { 2536} (( segid " A" and resid 236 and name HB2 )) (( segid " A" and resid 236 and name HG1 )) 6.000 4.500 0.000 peak 2536 spectrum 1 weight 0.10000E+01 volume 0.82038E-02 ppm1 1.510 ppm2 1.364 CV 1 OR { 2536} (( segid " A" and resid 236 and name HB2 )) (( segid " A" and resid 236 and name HG2 )) OR { 2536} (( segid " A" and resid 139 and name HB2 )) (( segid " A" and resid 139 and name HG2 )) ASSI { 2537} (( segid " A" and resid 234 and name HB1 )) (( segid " A" and resid 234 and name HG1 )) 6.000 4.500 0.000 peak 2537 spectrum 1 weight 0.10000E+01 volume 0.76146E-02 ppm1 1.785 ppm2 1.382 CV 1 OR { 2537} (( segid " A" and resid 234 and name HB2 )) (( segid " A" and resid 234 and name HG1 )) ASSI { 2538} (( segid " A" and resid 173 and name HB2 )) ( segid " A" and resid 173 and name HE% ) 6.000 4.500 0.000 peak 2538 spectrum 1 weight 0.10000E+01 volume 0.10561E-02 ppm1 2.144 ppm2 1.378 CV 1 ASSI { 2539} (( segid " A" and resid 137 and name HG1 )) (( segid " A" and resid 250 and name HB1 )) 6.000 4.500 0.000 peak 2539 spectrum 1 weight 0.10000E+01 volume 0.98102E-03 ppm1 2.301 ppm2 1.372 CV 1 OR { 2539} (( segid " A" and resid 137 and name HG1 )) (( segid " A" and resid 250 and name HG1 )) ASSI { 2541} (( segid " A" and resid 151 and name HG1 )) (( segid " A" and resid 151 and name HB1 )) 6.000 4.500 0.000 peak 2541 spectrum 1 weight 0.10000E+01 volume 0.78708E-02 ppm1 1.208 ppm2 1.365 CV 1 OR { 2541} (( segid " A" and resid 151 and name HG1 )) (( segid " A" and resid 151 and name HD1 )) OR { 2541} (( segid " A" and resid 151 and name HG2 )) (( segid " A" and resid 151 and name HD1 )) ASSI { 2542} ( segid " A" and resid 282 and name HG1%) (( segid " A" and resid 280 and name HB1 )) 6.000 4.500 0.000 peak 2542 spectrum 1 weight 0.10000E+01 volume 0.13113E-01 ppm1 0.987 ppm2 1.372 CV 1 OR { 2542} ( segid " A" and resid 185 and name HG1%) ( segid " A" and resid 173 and name HE% ) OR { 2542} ( segid " A" and resid 185 and name HG1%) (( segid " A" and resid 184 and name HG2 )) ASSI { 2543} ( segid " A" and resid 176 and name HG1%) ( segid " A" and resid 173 and name HE% ) 6.000 4.500 0.000 peak 2543 spectrum 1 weight 0.10000E+01 volume 0.12464E-01 ppm1 0.998 ppm2 1.384 CV 1 OR { 2543} ( segid " A" and resid 185 and name HG1%) ( segid " A" and resid 173 and name HE% ) OR { 2543} ( segid " A" and resid 185 and name HG1%) (( segid " A" and resid 184 and name HG2 )) ASSI { 2544} (( segid " A" and resid 246 and name HB )) (( segid " A" and resid 248 and name HG1 )) 6.000 4.500 0.000 peak 2544 spectrum 1 weight 0.10000E+01 volume 0.26214E-02 ppm1 4.266 ppm2 1.351 CV 1 OR { 2544} (( segid " A" and resid 246 and name HB )) (( segid " A" and resid 248 and name HG2 )) ASSI { 2545} (( segid " A" and resid 246 and name HA )) (( segid " A" and resid 248 and name HG1 )) 6.000 4.500 0.000 peak 2545 spectrum 1 weight 0.10000E+01 volume 0.15188E-02 ppm1 4.426 ppm2 1.354 CV 1 OR { 2545} (( segid " A" and resid 246 and name HA )) (( segid " A" and resid 248 and name HG2 )) ASSI { 2547} (( segid " A" and resid 258 and name HA )) (( segid " A" and resid 236 and name HG1 )) 6.000 4.500 0.000 peak 2547 spectrum 1 weight 0.10000E+01 volume 0.22204E-02 ppm1 4.077 ppm2 1.345 CV 1 OR { 2547} (( segid " A" and resid 258 and name HA )) (( segid " A" and resid 236 and name HG2 )) ASSI { 2548} (( segid " A" and resid 257 and name HA )) (( segid " A" and resid 236 and name HG2 )) 6.000 4.500 0.000 peak 2548 spectrum 1 weight 0.10000E+01 volume 0.55585E-03 ppm1 4.856 ppm2 1.341 CV 1 OR { 2548} (( segid " A" and resid 257 and name HA )) (( segid " A" and resid 236 and name HG1 )) ASSI { 2549} (( segid " A" and resid 170 and name HA )) ( segid " A" and resid 169 and name HB% ) 6.000 4.500 0.000 peak 2549 spectrum 1 weight 0.10000E+01 volume 0.70060E-03 ppm1 3.717 ppm2 1.358 CV 1 ASSI { 2550} (( segid " A" and resid 248 and name HA )) (( segid " A" and resid 248 and name HG2 )) 6.000 4.500 0.000 peak 2550 spectrum 1 weight 0.10000E+01 volume 0.85151E-02 ppm1 4.418 ppm2 1.356 CV 1 OR { 2550} (( segid " A" and resid 248 and name HA )) (( segid " A" and resid 248 and name HG1 )) ASSI { 2555} (( segid " A" and resid 242 and name HD2 )) (( segid " A" and resid 242 and name HG2 )) 6.000 4.500 0.000 peak 2555 spectrum 1 weight 0.10000E+01 volume 0.49683E-02 ppm1 3.022 ppm2 1.350 CV 1 OR { 2555} (( segid " A" and resid 242 and name HD2 )) (( segid " A" and resid 242 and name HB2 )) ASSI { 2556} (( segid " A" and resid 243 and name HB2 )) (( segid " A" and resid 250 and name HG1 )) 6.000 4.500 0.000 peak 2556 spectrum 1 weight 0.10000E+01 volume 0.54472E-03 ppm1 2.411 ppm2 1.355 CV 1 OR { 2556} (( segid " A" and resid 243 and name HB2 )) (( segid " A" and resid 242 and name HB2 )) ASSI { 2558} (( segid " A" and resid 151 and name HE2 )) (( segid " A" and resid 151 and name HD1 )) 6.000 4.500 0.000 peak 2558 spectrum 1 weight 0.10000E+01 volume 0.10062E-01 ppm1 2.736 ppm2 1.354 CV 1 OR { 2558} (( segid " A" and resid 151 and name HE1 )) (( segid " A" and resid 151 and name HD1 )) ASSI { 2559} (( segid " A" and resid 273 and name HB2 )) (( segid " A" and resid 280 and name HB1 )) 6.000 4.500 0.000 peak 2559 spectrum 1 weight 0.10000E+01 volume 0.23144E-01 ppm1 2.951 ppm2 1.345 CV 1 OR { 2559} (( segid " A" and resid 250 and name HE2 )) (( segid " A" and resid 250 and name HG1 )) ASSI { 2560} (( segid " A" and resid 226 and name HE2 )) (( segid " A" and resid 226 and name HG2 )) 6.000 4.500 0.000 peak 2560 spectrum 1 weight 0.10000E+01 volume 0.46862E-02 ppm1 2.841 ppm2 1.336 CV 1 OR { 2560} (( segid " A" and resid 226 and name HE1 )) (( segid " A" and resid 226 and name HG2 )) ASSI { 2561} (( segid " A" and resid 230 and name HG1 )) (( segid " A" and resid 226 and name HG2 )) 6.000 4.500 0.000 peak 2561 spectrum 1 weight 0.10000E+01 volume 0.11848E-02 ppm1 2.556 ppm2 1.342 CV 1 OR { 2561} (( segid " A" and resid 230 and name HG2 )) (( segid " A" and resid 226 and name HG2 )) ASSI { 2562} (( segid " A" and resid 258 and name HG1 )) (( segid " A" and resid 236 and name HG1 )) 6.000 4.500 0.000 peak 2562 spectrum 1 weight 0.10000E+01 volume 0.36852E-02 ppm1 2.209 ppm2 1.353 CV 1 OR { 2562} (( segid " A" and resid 258 and name HG1 )) (( segid " A" and resid 236 and name HG2 )) OR { 2562} (( segid " A" and resid 256 and name HG1 )) (( segid " A" and resid 236 and name HG2 )) OR { 2562} (( segid " A" and resid 256 and name HG1 )) (( segid " A" and resid 236 and name HG1 )) ASSI { 2563} (( segid " A" and resid 258 and name HG2 )) (( segid " A" and resid 236 and name HG1 )) 6.000 4.500 0.000 peak 2563 spectrum 1 weight 0.10000E+01 volume 0.28690E-02 ppm1 2.112 ppm2 1.351 CV 1 OR { 2563} (( segid " A" and resid 258 and name HG2 )) (( segid " A" and resid 236 and name HG2 )) ASSI { 2564} (( segid " A" and resid 236 and name HB2 )) (( segid " A" and resid 236 and name HG1 )) 6.000 4.500 0.000 peak 2564 spectrum 1 weight 0.10000E+01 volume 0.87378E-02 ppm1 1.500 ppm2 1.351 CV 1 OR { 2564} (( segid " A" and resid 236 and name HB2 )) (( segid " A" and resid 236 and name HG2 )) OR { 2564} (( segid " A" and resid 139 and name HB2 )) (( segid " A" and resid 139 and name HG2 )) ASSI { 2565} (( segid " A" and resid 236 and name HB1 )) (( segid " A" and resid 236 and name HG2 )) 6.000 4.500 0.000 peak 2565 spectrum 1 weight 0.10000E+01 volume 0.71368E-02 ppm1 1.691 ppm2 1.343 CV 1 OR { 2565} (( segid " A" and resid 236 and name HB1 )) (( segid " A" and resid 236 and name HG1 )) ASSI { 2566} (( segid " A" and resid 226 and name HB2 )) (( segid " A" and resid 226 and name HG2 )) 6.000 4.500 0.000 peak 2566 spectrum 1 weight 0.10000E+01 volume 0.12832E-02 ppm1 1.975 ppm2 1.361 CV 1 OR { 2566} (( segid " A" and resid 226 and name HB1 )) (( segid " A" and resid 226 and name HG2 )) ASSI { 2568} (( segid " A" and resid 258 and name HB2 )) (( segid " A" and resid 236 and name HG1 )) 6.000 4.500 0.000 peak 2568 spectrum 1 weight 0.10000E+01 volume 0.24842E-02 ppm1 1.942 ppm2 1.362 CV 1 OR { 2568} (( segid " A" and resid 258 and name HB2 )) (( segid " A" and resid 236 and name HG2 )) ASSI { 2569} (( segid " A" and resid 250 and name HD2 )) (( segid " A" and resid 250 and name HG1 )) 6.000 4.500 0.000 peak 2569 spectrum 1 weight 0.10000E+01 volume 0.44689E-02 ppm1 1.811 ppm2 1.359 CV 1 OR { 2569} (( segid " A" and resid 250 and name HD2 )) (( segid " A" and resid 250 and name HB1 )) ASSI { 2571} ( segid " A" and resid 280 and name HD1%) (( segid " A" and resid 280 and name HB1 )) 6.000 4.500 0.000 peak 2571 spectrum 1 weight 0.10000E+01 volume 0.39295E-02 ppm1 1.051 ppm2 1.360 CV 1 ASSI { 2572} ( segid " A" and resid 280 and name HD2%) (( segid " A" and resid 280 and name HB1 )) 6.000 4.500 0.000 peak 2572 spectrum 1 weight 0.10000E+01 volume 0.46970E-02 ppm1 0.869 ppm2 1.351 CV 1 ASSI { 2573} ( segid " A" and resid 241 and name HB% ) (( segid " A" and resid 250 and name HB1 )) 6.000 4.500 0.000 peak 2573 spectrum 1 weight 0.10000E+01 volume 0.47802E-02 ppm1 0.777 ppm2 1.341 CV 1 OR { 2573} ( segid " A" and resid 241 and name HB% ) (( segid " A" and resid 250 and name HG1 )) OR { 2573} ( segid " A" and resid 241 and name HB% ) (( segid " A" and resid 242 and name HB2 )) ASSI { 2576} (( segid " A" and resid 140 and name HB1 )) (( segid " A" and resid 139 and name HG1 )) 6.000 4.500 0.000 peak 2576 spectrum 1 weight 0.10000E+01 volume 0.13502E-02 ppm1 3.736 ppm2 1.292 CV 1 ASSI { 2580} (( segid " A" and resid 130 and name HB2 )) ( segid " A" and resid 127 and name HG2%) 6.000 4.500 0.000 peak 2580 spectrum 1 weight 0.10000E+01 volume 0.26766E-02 ppm1 2.165 ppm2 1.331 CV 1 OR { 2580} (( segid " A" and resid 130 and name HB1 )) ( segid " A" and resid 127 and name HG2%) ASSI { 2581} (( segid " A" and resid 197 and name HG12)) (( segid " A" and resid 197 and name HG11)) 6.000 4.500 0.000 peak 2581 spectrum 1 weight 0.10000E+01 volume 0.10533E-01 ppm1 1.462 ppm2 1.312 CV 1 ASSI { 2582} ( segid " A" and resid 123 and name HD2%) ( segid " A" and resid 127 and name HG2%) 6.000 4.500 0.000 peak 2582 spectrum 1 weight 0.10000E+01 volume 0.97312E-02 ppm1 0.950 ppm2 1.334 CV 1 ASSI { 2583} ( segid " A" and resid 123 and name HD1%) ( segid " A" and resid 127 and name HG2%) 6.000 4.500 0.000 peak 2583 spectrum 1 weight 0.10000E+01 volume 0.18410E-01 ppm1 0.927 ppm2 1.333 CV 1 OR { 2583} ( segid " A" and resid 114 and name HG2%) ( segid " A" and resid 169 and name HB% ) ASSI { 2584} ( segid " A" and resid 235 and name HG2%) (( segid " A" and resid 226 and name HG2 )) 6.000 4.500 0.000 peak 2584 spectrum 1 weight 0.10000E+01 volume 0.25393E-02 ppm1 0.572 ppm2 1.335 CV 1 ASSI { 2585} ( segid " A" and resid 235 and name HD1%) (( segid " A" and resid 226 and name HG2 )) 6.000 4.500 0.000 peak 2585 spectrum 1 weight 0.10000E+01 volume 0.26377E-02 ppm1 0.679 ppm2 1.316 CV 1 ASSI { 2586} ( segid " A" and resid 197 and name HD1%) (( segid " A" and resid 197 and name HG11)) 6.000 4.500 0.000 peak 2586 spectrum 1 weight 0.10000E+01 volume 0.14540E-01 ppm1 0.786 ppm2 1.314 CV 1 ASSI { 2588} (( segid " A" and resid 251 and name HA1 )) (( segid " A" and resid 216 and name HB )) 6.000 4.500 0.000 peak 2588 spectrum 1 weight 0.10000E+01 volume 0.77433E-03 ppm1 4.141 ppm2 1.289 CV 1 ASSI { 2589} ( segid " A" and resid 220 and name HD1%) (( segid " A" and resid 220 and name HB2 )) 6.000 4.500 0.000 peak 2589 spectrum 1 weight 0.10000E+01 volume 0.38570E-02 ppm1 0.693 ppm2 1.282 CV 1 ASSI { 2590} ( segid " A" and resid 216 and name HG1%) (( segid " A" and resid 216 and name HB )) 6.000 4.500 0.000 peak 2590 spectrum 1 weight 0.10000E+01 volume 0.63985E-02 ppm1 0.672 ppm2 1.284 CV 1 ASSI { 2591} ( segid " A" and resid 165 and name HB% ) ( segid " A" and resid 214 and name HB% ) 6.000 4.500 0.000 peak 2591 spectrum 1 weight 0.10000E+01 volume 0.99907E-03 ppm1 0.651 ppm2 1.289 CV 1 ASSI { 2592} ( segid " A" and resid 197 and name HG2%) (( segid " A" and resid 197 and name HG11)) 6.000 4.500 0.000 peak 2592 spectrum 1 weight 0.10000E+01 volume 0.81930E-02 ppm1 0.880 ppm2 1.302 CV 1 ASSI { 2593} (( segid " A" and resid 229 and name HA )) ( segid " A" and resid 266 and name HB% ) 6.000 4.500 0.000 peak 2593 spectrum 1 weight 0.10000E+01 volume 0.99496E-03 ppm1 4.172 ppm2 1.256 CV 1 OR { 2593} (( segid " A" and resid 215 and name HB2 )) ( segid " A" and resid 214 and name HB% ) ASSI { 2595} (( segid " A" and resid 135 and name HA )) ( segid " A" and resid 214 and name HB% ) 6.000 4.500 0.000 peak 2595 spectrum 1 weight 0.10000E+01 volume 0.20291E-02 ppm1 3.859 ppm2 1.262 CV 1 ASSI { 2596} (( segid " A" and resid 218 and name HA )) (( segid " A" and resid 216 and name HB )) 6.000 4.500 0.000 peak 2596 spectrum 1 weight 0.10000E+01 volume 0.54894E-03 ppm1 3.632 ppm2 1.261 CV 1 OR { 2596} (( segid " A" and resid 218 and name HA )) (( segid " A" and resid 220 and name HB2 )) ASSI { 2597} (( segid " A" and resid 230 and name HA )) ( segid " A" and resid 266 and name HB% ) 6.000 4.500 0.000 peak 2597 spectrum 1 weight 0.10000E+01 volume 0.59542E-03 ppm1 5.047 ppm2 1.259 CV 1 ASSI { 2600} (( segid " A" and resid 155 and name HA )) ( segid " A" and resid 143 and name HE% ) 6.000 4.500 0.000 peak 2600 spectrum 1 weight 0.10000E+01 volume 0.60818E-03 ppm1 5.539 ppm2 1.260 CV 1 ASSI { 2602} (( segid " A" and resid 251 and name HA2 )) (( segid " A" and resid 216 and name HB )) 6.000 4.500 0.000 peak 2602 spectrum 1 weight 0.10000E+01 volume 0.75854E-03 ppm1 4.306 ppm2 1.267 CV 1 ASSI { 2603} (( segid " A" and resid 124 and name HA2 )) ( segid " A" and resid 143 and name HE% ) 6.000 4.500 0.000 peak 2603 spectrum 1 weight 0.10000E+01 volume 0.49402E-03 ppm1 4.514 ppm2 1.264 CV 1 ASSI { 2607} (( segid " A" and resid 232 and name HB1 )) ( segid " A" and resid 266 and name HB% ) 6.000 4.500 0.000 peak 2607 spectrum 1 weight 0.10000E+01 volume 0.64255E-03 ppm1 3.432 ppm2 1.255 CV 1 ASSI { 2608} (( segid " A" and resid 143 and name HG1 )) ( segid " A" and resid 143 and name HE% ) 6.000 4.500 0.000 peak 2608 spectrum 1 weight 0.10000E+01 volume 0.20009E-02 ppm1 2.329 ppm2 1.265 CV 1 ASSI { 2609} (( segid " A" and resid 143 and name HG2 )) ( segid " A" and resid 143 and name HE% ) 6.000 4.500 0.000 peak 2609 spectrum 1 weight 0.10000E+01 volume 0.18928E-02 ppm1 2.226 ppm2 1.273 CV 1 ASSI { 2610} ( segid " A" and resid 220 and name HD2%) (( segid " A" and resid 220 and name HB2 )) 6.000 4.500 0.000 peak 2610 spectrum 1 weight 0.10000E+01 volume 0.34571E-02 ppm1 0.904 ppm2 1.276 CV 1 ASSI { 2611} ( segid " A" and resid 168 and name HD2%) ( segid " A" and resid 214 and name HB% ) 6.000 4.500 0.000 peak 2611 spectrum 1 weight 0.10000E+01 volume 0.42970E-02 ppm1 1.015 ppm2 1.261 CV 1 OR { 2611} ( segid " A" and resid 280 and name HD1%) (( segid " A" and resid 216 and name HB )) ASSI { 2612} ( segid " A" and resid 156 and name HB% ) ( segid " A" and resid 143 and name HE% ) 6.000 4.500 0.000 peak 2612 spectrum 1 weight 0.10000E+01 volume 0.43857E-02 ppm1 0.860 ppm2 1.274 CV 1 ASSI { 2613} ( segid " A" and resid 216 and name HG2%) (( segid " A" and resid 216 and name HB )) 6.000 4.500 0.000 peak 2613 spectrum 1 weight 0.10000E+01 volume 0.82265E-02 ppm1 0.371 ppm2 1.272 CV 1 ASSI { 2614} ( segid " A" and resid 240 and name HD2%) (( segid " A" and resid 216 and name HB )) 6.000 4.500 0.000 peak 2614 spectrum 1 weight 0.10000E+01 volume 0.24009E-02 ppm1 0.084 ppm2 1.267 CV 1 ASSI { 2615} ( segid " A" and resid 225 and name HD1%) (( segid " A" and resid 220 and name HB2 )) 6.000 4.500 0.000 peak 2615 spectrum 1 weight 0.10000E+01 volume 0.31598E-02 ppm1 0.632 ppm2 1.262 CV 1 OR { 2615} ( segid " A" and resid 225 and name HD1%) (( segid " A" and resid 216 and name HB )) ASSI { 2616} (( segid " A" and resid 245 and name HB )) ( segid " A" and resid 245 and name HG2%) 6.000 4.500 0.000 peak 2616 spectrum 1 weight 0.10000E+01 volume 0.16410E-01 ppm1 4.268 ppm2 1.227 CV 1 ASSI { 2617} (( segid " A" and resid 245 and name HA )) ( segid " A" and resid 245 and name HG2%) 6.000 4.500 0.000 peak 2617 spectrum 1 weight 0.10000E+01 volume 0.75595E-02 ppm1 4.206 ppm2 1.232 CV 1 ASSI { 2618} (( segid " A" and resid 263 and name HB1 )) ( segid " A" and resid 266 and name HB% ) 6.000 4.500 0.000 peak 2618 spectrum 1 weight 0.10000E+01 volume 0.87821E-03 ppm1 3.800 ppm2 1.240 CV 1 OR { 2618} (( segid " A" and resid 263 and name HB1 )) (( segid " A" and resid 211 and name HG12)) ASSI { 2621} (( segid " A" and resid 282 and name HA )) (( segid " A" and resid 213 and name HB )) 6.000 4.500 0.000 peak 2621 spectrum 1 weight 0.10000E+01 volume 0.53921E-03 ppm1 5.371 ppm2 1.227 CV 1 ASSI { 2622} (( segid " A" and resid 211 and name HA )) (( segid " A" and resid 211 and name HG12)) 6.000 4.500 0.000 peak 2622 spectrum 1 weight 0.10000E+01 volume 0.59477E-03 ppm1 5.093 ppm2 1.242 CV 1 ASSI { 2623} (( segid " A" and resid 254 and name HA )) (( segid " A" and resid 255 and name HB )) 6.000 4.500 0.000 peak 2623 spectrum 1 weight 0.10000E+01 volume 0.67012E-03 ppm1 5.731 ppm2 1.232 CV 1 OR { 2623} (( segid " A" and resid 254 and name HA )) (( segid " A" and resid 213 and name HB )) OR { 2623} (( segid " A" and resid 254 and name HA )) (( segid " A" and resid 211 and name HG12)) ASSI { 2624} (( segid " A" and resid 244 and name HD1 )) ( segid " A" and resid 245 and name HG2%) 6.000 4.500 0.000 peak 2624 spectrum 1 weight 0.10000E+01 volume 0.57315E-03 ppm1 4.005 ppm2 1.242 CV 1 ASSI { 2626} (( segid " A" and resid 211 and name HB )) (( segid " A" and resid 211 and name HG12)) 6.000 4.500 0.000 peak 2626 spectrum 1 weight 0.10000E+01 volume 0.74092E-03 ppm1 1.989 ppm2 1.234 CV 1 ASSI { 2627} (( segid " A" and resid 265 and name HB1 )) ( segid " A" and resid 266 and name HB% ) 6.000 4.500 0.000 peak 2627 spectrum 1 weight 0.10000E+01 volume 0.62785E-03 ppm1 2.734 ppm2 1.230 CV 1 OR { 2627} (( segid " A" and resid 265 and name HB2 )) ( segid " A" and resid 266 and name HB% ) ASSI { 2629} (( segid " A" and resid 191 and name HB )) (( segid " A" and resid 191 and name HG11)) 6.000 4.500 0.000 peak 2629 spectrum 1 weight 0.10000E+01 volume 0.21480E-02 ppm1 1.878 ppm2 1.239 CV 1 ASSI { 2630} (( segid " A" and resid 255 and name HG12)) (( segid " A" and resid 255 and name HB )) 6.000 4.500 0.000 peak 2630 spectrum 1 weight 0.10000E+01 volume 0.50234E-03 ppm1 0.587 ppm2 1.230 CV 1 ASSI { 2631} (( segid " A" and resid 119 and name HG12)) (( segid " A" and resid 119 and name HG11)) 6.000 4.500 0.000 peak 2631 spectrum 1 weight 0.10000E+01 volume 0.75271E-03 ppm1 0.420 ppm2 1.228 CV 1 ASSI { 2632} (( segid " A" and resid 244 and name HG2 )) ( segid " A" and resid 245 and name HG2%) 6.000 4.500 0.000 peak 2632 spectrum 1 weight 0.10000E+01 volume 0.16799E-02 ppm1 2.069 ppm2 1.234 CV 1 ASSI { 2633} ( segid " A" and resid 213 and name HG1%) (( segid " A" and resid 213 and name HB )) 6.000 4.500 0.000 peak 2633 spectrum 1 weight 0.10000E+01 volume 0.14053E-01 ppm1 0.342 ppm2 1.230 CV 1 ASSI { 2634} ( segid " A" and resid 213 and name HG2%) (( segid " A" and resid 213 and name HB )) 6.000 4.500 0.000 peak 2634 spectrum 1 weight 0.10000E+01 volume 0.13037E-01 ppm1 0.404 ppm2 1.228 CV 1 ASSI { 2635} ( segid " A" and resid 211 and name HG2%) (( segid " A" and resid 211 and name HG12)) 6.000 4.500 0.000 peak 2635 spectrum 1 weight 0.10000E+01 volume 0.82481E-02 ppm1 0.955 ppm2 1.241 CV 1 ASSI { 2636} ( segid " A" and resid 191 and name HG2%) (( segid " A" and resid 191 and name HG11)) 6.000 4.500 0.000 peak 2636 spectrum 1 weight 0.10000E+01 volume 0.13783E-01 ppm1 0.899 ppm2 1.241 CV 1 ASSI { 2637} ( segid " A" and resid 225 and name HG2%) (( segid " A" and resid 213 and name HB )) 6.000 4.500 0.000 peak 2637 spectrum 1 weight 0.10000E+01 volume 0.34625E-02 ppm1 0.614 ppm2 1.229 CV 1 OR { 2637} ( segid " A" and resid 225 and name HG2%) (( segid " A" and resid 255 and name HB )) ASSI { 2638} ( segid " A" and resid 255 and name HG2%) (( segid " A" and resid 255 and name HB )) 6.000 4.500 0.000 peak 2638 spectrum 1 weight 0.10000E+01 volume 0.51013E-02 ppm1 0.218 ppm2 1.231 CV 1 ASSI { 2640} ( segid " A" and resid 211 and name HD1%) (( segid " A" and resid 211 and name HG12)) 6.000 4.500 0.000 peak 2640 spectrum 1 weight 0.10000E+01 volume 0.10875E-01 ppm1 0.737 ppm2 1.243 CV 1 ASSI { 2641} ( segid " A" and resid 191 and name HD1%) (( segid " A" and resid 191 and name HG11)) 6.000 4.500 0.000 peak 2641 spectrum 1 weight 0.10000E+01 volume 0.10502E-01 ppm1 0.843 ppm2 1.237 CV 1 ASSI { 2642} ( segid " A" and resid 255 and name HD1%) (( segid " A" and resid 255 and name HB )) 6.000 4.500 0.000 peak 2642 spectrum 1 weight 0.10000E+01 volume 0.58169E-02 ppm1 -0.126 ppm2 1.232 CV 1 ASSI { 2645} (( segid " A" and resid 210 and name HA )) (( segid " A" and resid 211 and name HG12)) 6.000 4.500 0.000 peak 2645 spectrum 1 weight 0.10000E+01 volume 0.55726E-03 ppm1 5.736 ppm2 1.214 CV 1 OR { 2645} (( segid " A" and resid 210 and name HA )) (( segid " A" and resid 255 and name HB )) ASSI { 2646} (( segid " A" and resid 151 and name HA )) (( segid " A" and resid 151 and name HG1 )) 6.000 4.500 0.000 peak 2646 spectrum 1 weight 0.10000E+01 volume 0.22626E-02 ppm1 4.587 ppm2 1.218 CV 1 OR { 2646} (( segid " A" and resid 151 and name HA )) (( segid " A" and resid 151 and name HG2 )) ASSI { 2647} (( segid " A" and resid 243 and name HB2 )) ( segid " A" and resid 245 and name HG2%) 6.000 4.500 0.000 peak 2647 spectrum 1 weight 0.10000E+01 volume 0.48916E-03 ppm1 2.401 ppm2 1.203 CV 1 OR { 2647} (( segid " A" and resid 243 and name HB2 )) ( segid " A" and resid 246 and name HG2%) ASSI { 2648} (( segid " A" and resid 230 and name HG1 )) (( segid " A" and resid 226 and name HG1 )) 6.000 4.500 0.000 peak 2648 spectrum 1 weight 0.10000E+01 volume 0.82535E-03 ppm1 2.544 ppm2 1.203 CV 1 OR { 2648} (( segid " A" and resid 230 and name HG2 )) (( segid " A" and resid 226 and name HG1 )) ASSI { 2649} (( segid " A" and resid 128 and name HB )) (( segid " A" and resid 128 and name HG11)) 6.000 4.500 0.000 peak 2649 spectrum 1 weight 0.10000E+01 volume 0.20366E-02 ppm1 2.008 ppm2 1.202 CV 1 OR { 2649} (( segid " A" and resid 128 and name HB )) (( segid " A" and resid 128 and name HG12)) ASSI { 2650} (( segid " A" and resid 151 and name HB2 )) (( segid " A" and resid 151 and name HG2 )) 6.000 4.500 0.000 peak 2650 spectrum 1 weight 0.10000E+01 volume 0.25782E-02 ppm1 1.647 ppm2 1.214 CV 1 OR { 2650} (( segid " A" and resid 151 and name HB2 )) (( segid " A" and resid 151 and name HG1 )) ASSI { 2651} (( segid " A" and resid 151 and name HB1 )) (( segid " A" and resid 151 and name HG1 )) 6.000 4.500 0.000 peak 2651 spectrum 1 weight 0.10000E+01 volume 0.30376E-02 ppm1 1.394 ppm2 1.216 CV 1 OR { 2651} (( segid " A" and resid 151 and name HB1 )) (( segid " A" and resid 151 and name HG2 )) ASSI { 2652} (( segid " A" and resid 255 and name HG11)) (( segid " A" and resid 255 and name HB )) 6.000 4.500 0.000 peak 2652 spectrum 1 weight 0.10000E+01 volume 0.11015E-02 ppm1 1.057 ppm2 1.216 CV 1 ASSI { 2653} ( segid " A" and resid 119 and name HG2%) (( segid " A" and resid 119 and name HG11)) 6.000 4.500 0.000 peak 2653 spectrum 1 weight 0.10000E+01 volume 0.64461E-02 ppm1 0.691 ppm2 1.211 CV 1 ASSI { 2654} ( segid " A" and resid 235 and name HG2%) (( segid " A" and resid 226 and name HG1 )) 6.000 4.500 0.000 peak 2654 spectrum 1 weight 0.10000E+01 volume 0.27512E-02 ppm1 0.573 ppm2 1.199 CV 1 ASSI { 2655} ( segid " A" and resid 128 and name HG2%) (( segid " A" and resid 128 and name HG12)) 6.000 4.500 0.000 peak 2655 spectrum 1 weight 0.10000E+01 volume 0.71368E-02 ppm1 0.535 ppm2 1.201 CV 1 OR { 2655} ( segid " A" and resid 128 and name HG2%) (( segid " A" and resid 128 and name HG11)) ASSI { 2656} ( segid " A" and resid 198 and name HG2%) (( segid " A" and resid 198 and name HG11)) 6.000 4.500 0.000 peak 2656 spectrum 1 weight 0.10000E+01 volume 0.55337E-02 ppm1 0.921 ppm2 1.216 CV 1 ASSI { 2657} ( segid " A" and resid 235 and name HD1%) (( segid " A" and resid 226 and name HG1 )) 6.000 4.500 0.000 peak 2657 spectrum 1 weight 0.10000E+01 volume 0.31522E-02 ppm1 0.680 ppm2 1.208 CV 1 ASSI { 2658} ( segid " A" and resid 119 and name HD1%) (( segid " A" and resid 119 and name HG11)) 6.000 4.500 0.000 peak 2658 spectrum 1 weight 0.10000E+01 volume 0.59585E-02 ppm1 0.240 ppm2 1.214 CV 1 ASSI { 2659} ( segid " A" and resid 198 and name HD1%) (( segid " A" and resid 198 and name HG11)) 6.000 4.500 0.000 peak 2659 spectrum 1 weight 0.10000E+01 volume 0.96275E-02 ppm1 0.726 ppm2 1.223 CV 1 ASSI { 2660} ( segid " A" and resid 128 and name HD1%) (( segid " A" and resid 128 and name HG12)) 6.000 4.500 0.000 peak 2660 spectrum 1 weight 0.10000E+01 volume 0.11859E-01 ppm1 0.485 ppm2 1.210 CV 1 OR { 2660} ( segid " A" and resid 128 and name HD1%) (( segid " A" and resid 128 and name HG11)) ASSI { 2662} (( segid " A" and resid 128 and name HA )) (( segid " A" and resid 128 and name HG12)) 6.000 4.500 0.000 peak 2662 spectrum 1 weight 0.10000E+01 volume 0.16410E-02 ppm1 3.717 ppm2 1.197 CV 1 OR { 2662} (( segid " A" and resid 128 and name HA )) (( segid " A" and resid 128 and name HG11)) ASSI { 2664} (( segid " A" and resid 238 and name HA )) ( segid " A" and resid 239 and name HG2%) 6.000 4.500 0.000 peak 2664 spectrum 1 weight 0.10000E+01 volume 0.77335E-03 ppm1 4.779 ppm2 1.194 CV 1 ASSI { 2665} (( segid " A" and resid 226 and name HE1 )) (( segid " A" and resid 226 and name HG1 )) 6.000 4.500 0.000 peak 2665 spectrum 1 weight 0.10000E+01 volume 0.45467E-02 ppm1 2.840 ppm2 1.188 CV 1 OR { 2665} (( segid " A" and resid 226 and name HE2 )) (( segid " A" and resid 226 and name HG1 )) ASSI { 2669} (( segid " A" and resid 206 and name HA )) ( segid " A" and resid 205 and name HB% ) 6.000 4.500 0.000 peak 2669 spectrum 1 weight 0.10000E+01 volume 0.15599E-02 ppm1 4.196 ppm2 1.150 CV 1 ASSI { 2670} (( segid " A" and resid 238 and name HA )) ( segid " A" and resid 239 and name HG2%) 6.000 4.500 0.000 peak 2670 spectrum 1 weight 0.10000E+01 volume 0.66525E-03 ppm1 4.764 ppm2 1.149 CV 1 ASSI { 2673} (( segid " A" and resid 206 and name HD1 )) ( segid " A" and resid 205 and name HB% ) 6.000 4.500 0.000 peak 2673 spectrum 1 weight 0.10000E+01 volume 0.10631E-02 ppm1 3.265 ppm2 1.152 CV 1 OR { 2673} (( segid " A" and resid 206 and name HD2 )) ( segid " A" and resid 205 and name HB% ) OR { 2673} (( segid " A" and resid 206 and name HD2 )) ( segid " A" and resid 207 and name HB% ) ASSI { 2674} (( segid " A" and resid 222 and name HB1 )) (( segid " A" and resid 240 and name HG )) 6.000 4.500 0.000 peak 2674 spectrum 1 weight 0.10000E+01 volume 0.67401E-03 ppm1 2.634 ppm2 1.156 CV 1 ASSI { 2675} (( segid " A" and resid 222 and name HB2 )) (( segid " A" and resid 240 and name HG )) 6.000 4.500 0.000 peak 2675 spectrum 1 weight 0.10000E+01 volume 0.65444E-03 ppm1 2.582 ppm2 1.150 CV 1 ASSI { 2676} (( segid " A" and resid 206 and name HB2 )) ( segid " A" and resid 207 and name HB% ) 6.000 4.500 0.000 peak 2676 spectrum 1 weight 0.10000E+01 volume 0.14561E-02 ppm1 1.980 ppm2 1.149 CV 1 OR { 2676} (( segid " A" and resid 206 and name HB2 )) ( segid " A" and resid 205 and name HB% ) OR { 2676} (( segid " A" and resid 206 and name HB1 )) ( segid " A" and resid 207 and name HB% ) ASSI { 2677} (( segid " A" and resid 288 and name HA )) ( segid " A" and resid 205 and name HB% ) 6.000 4.500 0.000 peak 2677 spectrum 1 weight 0.10000E+01 volume 0.10769E-02 ppm1 4.343 ppm2 1.127 CV 1 ASSI { 2678} (( segid " A" and resid 286 and name HA )) ( segid " A" and resid 205 and name HB% ) 6.000 4.500 0.000 peak 2678 spectrum 1 weight 0.10000E+01 volume 0.20312E-02 ppm1 4.504 ppm2 1.138 CV 1 ASSI { 2679} (( segid " A" and resid 204 and name HA )) ( segid " A" and resid 205 and name HB% ) 6.000 4.500 0.000 peak 2679 spectrum 1 weight 0.10000E+01 volume 0.13123E-02 ppm1 4.050 ppm2 1.143 CV 1 ASSI { 2680} (( segid " A" and resid 120 and name HA )) (( segid " A" and resid 119 and name HB )) 6.000 4.500 0.000 peak 2680 spectrum 1 weight 0.10000E+01 volume 0.73887E-03 ppm1 4.451 ppm2 1.119 CV 1 ASSI { 2682} (( segid " A" and resid 202 and name HA )) ( segid " A" and resid 205 and name HB% ) 6.000 4.500 0.000 peak 2682 spectrum 1 weight 0.10000E+01 volume 0.48732E-02 ppm1 3.911 ppm2 1.141 CV 1 ASSI { 2683} (( segid " A" and resid 240 and name HB2 )) (( segid " A" and resid 240 and name HG )) 6.000 4.500 0.000 peak 2683 spectrum 1 weight 0.10000E+01 volume 0.11048E-02 ppm1 1.464 ppm2 1.119 CV 1 ASSI { 2684} (( segid " A" and resid 240 and name HB1 )) (( segid " A" and resid 240 and name HG )) 6.000 4.500 0.000 peak 2684 spectrum 1 weight 0.10000E+01 volume 0.72028E-03 ppm1 0.769 ppm2 1.126 CV 1 ASSI { 2685} ( segid " A" and resid 240 and name HD1%) (( segid " A" and resid 240 and name HG )) 6.000 4.500 0.000 peak 2685 spectrum 1 weight 0.10000E+01 volume 0.65088E-02 ppm1 -0.085 ppm2 1.127 CV 1 ASSI { 2686} ( segid " A" and resid 240 and name HD2%) (( segid " A" and resid 240 and name HG )) 6.000 4.500 0.000 peak 2686 spectrum 1 weight 0.10000E+01 volume 0.58645E-02 ppm1 0.083 ppm2 1.120 CV 1 ASSI { 2687} ( segid " A" and resid 285 and name HB% ) ( segid " A" and resid 205 and name HB% ) 6.000 4.500 0.000 peak 2687 spectrum 1 weight 0.10000E+01 volume 0.44635E-02 ppm1 1.514 ppm2 1.140 CV 1 ASSI { 2688} ( segid " A" and resid 202 and name HB% ) ( segid " A" and resid 205 and name HB% ) 6.000 4.500 0.000 peak 2688 spectrum 1 weight 0.10000E+01 volume 0.53142E-02 ppm1 1.558 ppm2 1.143 CV 1 ASSI { 2690} (( segid " A" and resid 149 and name HB )) ( segid " A" and resid 149 and name HG2%) 6.000 4.500 0.000 peak 2690 spectrum 1 weight 0.10000E+01 volume 0.10062E-01 ppm1 4.113 ppm2 1.112 CV 1 ASSI { 2691} (( segid " A" and resid 148 and name HA )) ( segid " A" and resid 149 and name HG2%) 6.000 4.500 0.000 peak 2691 spectrum 1 weight 0.10000E+01 volume 0.83227E-03 ppm1 3.881 ppm2 1.093 CV 1 ASSI { 2694} (( segid " A" and resid 288 and name HD1 )) ( segid " A" and resid 287 and name HG2%) 6.000 4.500 0.000 peak 2694 spectrum 1 weight 0.10000E+01 volume 0.11480E-02 ppm1 3.537 ppm2 1.097 CV 1 ASSI { 2695} (( segid " A" and resid 288 and name HD2 )) ( segid " A" and resid 287 and name HG2%) 6.000 4.500 0.000 peak 2695 spectrum 1 weight 0.10000E+01 volume 0.10961E-02 ppm1 3.927 ppm2 1.109 CV 1 ASSI { 2696} (( segid " A" and resid 163 and name HA )) ( segid " A" and resid 287 and name HG2%) 6.000 4.500 0.000 peak 2696 spectrum 1 weight 0.10000E+01 volume 0.61607E-03 ppm1 4.127 ppm2 1.071 CV 1 OR { 2696} (( segid " A" and resid 163 and name HA )) ( segid " A" and resid 162 and name HG1%) ASSI { 2697} (( segid " A" and resid 238 and name HA )) (( segid " A" and resid 255 and name HG11)) 6.000 4.500 0.000 peak 2697 spectrum 1 weight 0.10000E+01 volume 0.74190E-03 ppm1 4.782 ppm2 1.074 CV 1 ASSI { 2699} (( segid " A" and resid 163 and name HD2 )) ( segid " A" and resid 162 and name HG1%) 6.000 4.500 0.000 peak 2699 spectrum 1 weight 0.10000E+01 volume 0.99777E-03 ppm1 3.610 ppm2 1.064 CV 1 ASSI { 2702} (( segid " A" and resid 163 and name HB1 )) ( segid " A" and resid 287 and name HG2%) 6.000 4.500 0.000 peak 2702 spectrum 1 weight 0.10000E+01 volume 0.11794E-02 ppm1 1.698 ppm2 1.073 CV 1 ASSI { 2703} (( segid " A" and resid 148 and name HB )) ( segid " A" and resid 149 and name HG2%) 6.000 4.500 0.000 peak 2703 spectrum 1 weight 0.10000E+01 volume 0.27468E-02 ppm1 2.236 ppm2 1.081 CV 1 OR { 2703} (( segid " A" and resid 161 and name HB2 )) ( segid " A" and resid 162 and name HG1%) ASSI { 2704} (( segid " A" and resid 163 and name HG1 )) ( segid " A" and resid 287 and name HG2%) 6.000 4.500 0.000 peak 2704 spectrum 1 weight 0.10000E+01 volume 0.22788E-02 ppm1 1.995 ppm2 1.082 CV 1 ASSI { 2705} (( segid " A" and resid 163 and name HG2 )) ( segid " A" and resid 287 and name HG2%) 6.000 4.500 0.000 peak 2705 spectrum 1 weight 0.10000E+01 volume 0.25425E-02 ppm1 1.872 ppm2 1.071 CV 1 ASSI { 2706} ( segid " A" and resid 201 and name HD1%) ( segid " A" and resid 287 and name HG2%) 6.000 4.500 0.000 peak 2706 spectrum 1 weight 0.10000E+01 volume 0.42354E-02 ppm1 0.791 ppm2 1.083 CV 1 ASSI { 2708} ( segid " A" and resid 286 and name HG2%) ( segid " A" and resid 287 and name HG2%) 6.000 4.500 0.000 peak 2708 spectrum 1 weight 0.10000E+01 volume 0.96999E-02 ppm1 0.551 ppm2 1.080 CV 1 ASSI { 2710} (( segid " A" and resid 110 and name HA )) (( segid " A" and resid 110 and name HG12)) 6.000 4.500 0.000 peak 2710 spectrum 1 weight 0.10000E+01 volume 0.29166E-02 ppm1 3.673 ppm2 1.035 CV 1 ASSI { 2712} (( segid " A" and resid 254 and name HA )) (( segid " A" and resid 255 and name HG11)) 6.000 4.500 0.000 peak 2712 spectrum 1 weight 0.10000E+01 volume 0.48635E-03 ppm1 5.737 ppm2 1.036 CV 1 OR { 2712} (( segid " A" and resid 254 and name HA )) (( segid " A" and resid 211 and name HG11)) ASSI { 2714} (( segid " A" and resid 273 and name HB1 )) ( segid " A" and resid 280 and name HD1%) 6.000 4.500 0.000 peak 2714 spectrum 1 weight 0.10000E+01 volume 0.60234E-03 ppm1 3.296 ppm2 1.046 CV 1 ASSI { 2716} (( segid " A" and resid 161 and name HG2 )) ( segid " A" and resid 162 and name HG1%) 6.000 4.500 0.000 peak 2716 spectrum 1 weight 0.10000E+01 volume 0.11199E-02 ppm1 2.252 ppm2 1.053 CV 1 OR { 2716} (( segid " A" and resid 161 and name HG1 )) ( segid " A" and resid 162 and name HG1%) ASSI { 2718} (( segid " A" and resid 250 and name HD2 )) ( segid " A" and resid 162 and name HG1%) 6.000 4.500 0.000 peak 2718 spectrum 1 weight 0.10000E+01 volume 0.85486E-03 ppm1 1.816 ppm2 1.036 CV 1 OR { 2718} (( segid " A" and resid 218 and name HB2 )) ( segid " A" and resid 280 and name HD1%) OR { 2718} (( segid " A" and resid 218 and name HB2 )) ( segid " A" and resid 275 and name HD1%) ASSI { 2719} (( segid " A" and resid 255 and name HG12)) (( segid " A" and resid 255 and name HG11)) 6.000 4.500 0.000 peak 2719 spectrum 1 weight 0.10000E+01 volume 0.15426E-02 ppm1 0.569 ppm2 1.053 CV 1 ASSI { 2721} ( segid " A" and resid 165 and name HB% ) ( segid " A" and resid 162 and name HG1%) 6.000 4.500 0.000 peak 2721 spectrum 1 weight 0.10000E+01 volume 0.21231E-02 ppm1 0.647 ppm2 1.048 CV 1 ASSI { 2722} ( segid " A" and resid 162 and name HG2%) ( segid " A" and resid 162 and name HG1%) 6.000 4.500 0.000 peak 2722 spectrum 1 weight 0.10000E+01 volume 0.22226E-01 ppm1 0.778 ppm2 1.056 CV 1 ASSI { 2723} ( segid " A" and resid 255 and name HG2%) (( segid " A" and resid 255 and name HG11)) 6.000 4.500 0.000 peak 2723 spectrum 1 weight 0.10000E+01 volume 0.39684E-02 ppm1 0.219 ppm2 1.047 CV 1 ASSI { 2724} ( segid " A" and resid 255 and name HD1%) (( segid " A" and resid 255 and name HG11)) 6.000 4.500 0.000 peak 2724 spectrum 1 weight 0.10000E+01 volume 0.68817E-02 ppm1 -0.126 ppm2 1.042 CV 1 ASSI { 2726} (( segid " A" and resid 173 and name HA )) ( segid " A" and resid 176 and name HG1%) 6.000 4.500 0.000 peak 2726 spectrum 1 weight 0.10000E+01 volume 0.38689E-02 ppm1 5.042 ppm2 1.014 CV 1 ASSI { 2727} (( segid " A" and resid 275 and name HB2 )) ( segid " A" and resid 280 and name HD1%) 6.000 4.500 0.000 peak 2727 spectrum 1 weight 0.10000E+01 volume 0.23793E-02 ppm1 2.102 ppm2 1.012 CV 1 ASSI { 2728} (( segid " A" and resid 275 and name HB1 )) ( segid " A" and resid 280 and name HD1%) 6.000 4.500 0.000 peak 2728 spectrum 1 weight 0.10000E+01 volume 0.23090E-02 ppm1 1.454 ppm2 1.012 CV 1 ASSI { 2729} (( segid " A" and resid 280 and name HB2 )) ( segid " A" and resid 280 and name HD1%) 6.000 4.500 0.000 peak 2729 spectrum 1 weight 0.10000E+01 volume 0.11837E-02 ppm1 2.261 ppm2 1.025 CV 1 ASSI { 2734} (( segid " A" and resid 225 and name HG12)) (( segid " A" and resid 225 and name HG11)) 6.000 4.500 0.000 peak 2734 spectrum 1 weight 0.10000E+01 volume 0.51878E-02 ppm1 1.528 ppm2 1.017 CV 1 ASSI { 2735} (( segid " A" and resid 168 and name HG )) ( segid " A" and resid 168 and name HD2%) 6.000 4.500 0.000 peak 2735 spectrum 1 weight 0.10000E+01 volume 0.36073E-02 ppm1 1.895 ppm2 1.011 CV 1 ASSI { 2736} ( segid " A" and resid 225 and name HG2%) (( segid " A" and resid 225 and name HG11)) 6.000 4.500 0.000 peak 2736 spectrum 1 weight 0.10000E+01 volume 0.93042E-02 ppm1 0.615 ppm2 1.021 CV 1 ASSI { 2737} ( segid " A" and resid 173 and name HE% ) ( segid " A" and resid 176 and name HG1%) 6.000 4.500 0.000 peak 2737 spectrum 1 weight 0.10000E+01 volume 0.14053E-01 ppm1 1.385 ppm2 1.007 CV 1 OR { 2737} ( segid " A" and resid 173 and name HE% ) ( segid " A" and resid 185 and name HG2%) OR { 2737} ( segid " A" and resid 173 and name HE% ) ( segid " A" and resid 185 and name HG1%) ASSI { 2738} ( segid " A" and resid 270 and name HE% ) ( segid " A" and resid 228 and name HG1%) 6.000 4.500 0.000 peak 2738 spectrum 1 weight 0.10000E+01 volume 0.89821E-02 ppm1 0.184 ppm2 1.010 CV 1 OR { 2738} ( segid " A" and resid 270 and name HE% ) ( segid " A" and resid 282 and name HG1%) OR { 2738} ( segid " A" and resid 270 and name HE% ) ( segid " A" and resid 282 and name HG2%) ASSI { 2739} ( segid " A" and resid 110 and name HD1%) (( segid " A" and resid 110 and name HG12)) 6.000 4.500 0.000 peak 2739 spectrum 1 weight 0.10000E+01 volume 0.16788E-01 ppm1 0.729 ppm2 1.021 CV 1 ASSI { 2741} (( segid " A" and resid 282 and name HA )) ( segid " A" and resid 282 and name HG2%) 6.000 4.500 0.000 peak 2741 spectrum 1 weight 0.10000E+01 volume 0.73152E-02 ppm1 5.366 ppm2 0.988 CV 1 OR { 2741} (( segid " A" and resid 282 and name HA )) ( segid " A" and resid 282 and name HG1%) ASSI { 2742} (( segid " A" and resid 213 and name HA )) ( segid " A" and resid 282 and name HG2%) 6.000 4.500 0.000 peak 2742 spectrum 1 weight 0.10000E+01 volume 0.19210E-02 ppm1 4.597 ppm2 0.982 CV 1 OR { 2742} (( segid " A" and resid 213 and name HA )) ( segid " A" and resid 282 and name HG1%) ASSI { 2743} (( segid " A" and resid 170 and name HA )) ( segid " A" and resid 185 and name HG1%) 6.000 4.500 0.000 peak 2743 spectrum 1 weight 0.10000E+01 volume 0.36408E-02 ppm1 3.743 ppm2 0.983 CV 1 ASSI { 2744} (( segid " A" and resid 174 and name HA )) ( segid " A" and resid 185 and name HG2%) 6.000 4.500 0.000 peak 2744 spectrum 1 weight 0.10000E+01 volume 0.48191E-02 ppm1 4.455 ppm2 0.992 CV 1 OR { 2744} (( segid " A" and resid 174 and name HA )) ( segid " A" and resid 185 and name HG1%) ASSI { 2745} (( segid " A" and resid 169 and name HA )) ( segid " A" and resid 185 and name HG1%) 6.000 4.500 0.000 peak 2745 spectrum 1 weight 0.10000E+01 volume 0.13740E-02 ppm1 2.403 ppm2 0.981 CV 1 OR { 2745} (( segid " A" and resid 266 and name HA )) ( segid " A" and resid 267 and name HG1%) OR { 2745} (( segid " A" and resid 266 and name HA )) ( segid " A" and resid 282 and name HG2%) OR { 2745} (( segid " A" and resid 266 and name HA )) ( segid " A" and resid 282 and name HG1%) OR { 2745} (( segid " A" and resid 266 and name HA )) ( segid " A" and resid 267 and name HG2%) OR { 2745} (( segid " A" and resid 169 and name HA )) ( segid " A" and resid 185 and name HG2%) ASSI { 2746} (( segid " A" and resid 184 and name HA )) ( segid " A" and resid 185 and name HG2%) 6.000 4.500 0.000 peak 2746 spectrum 1 weight 0.10000E+01 volume 0.24561E-02 ppm1 4.950 ppm2 0.988 CV 1 OR { 2746} (( segid " A" and resid 270 and name HA )) ( segid " A" and resid 282 and name HG1%) OR { 2746} (( segid " A" and resid 270 and name HA )) ( segid " A" and resid 282 and name HG2%) ASSI { 2748} (( segid " A" and resid 174 and name HB2 )) ( segid " A" and resid 185 and name HG2%) 6.000 4.500 0.000 peak 2748 spectrum 1 weight 0.10000E+01 volume 0.18453E-02 ppm1 2.960 ppm2 0.988 CV 1 OR { 2748} (( segid " A" and resid 174 and name HB2 )) ( segid " A" and resid 185 and name HG1%) ASSI { 2749} (( segid " A" and resid 174 and name HB1 )) ( segid " A" and resid 185 and name HG2%) 6.000 4.500 0.000 peak 2749 spectrum 1 weight 0.10000E+01 volume 0.16096E-02 ppm1 2.859 ppm2 0.989 CV 1 OR { 2749} (( segid " A" and resid 174 and name HB1 )) ( segid " A" and resid 185 and name HG1%) ASSI { 2750} (( segid " A" and resid 282 and name HB )) ( segid " A" and resid 282 and name HG1%) 6.000 4.500 0.000 peak 2750 spectrum 1 weight 0.10000E+01 volume 0.69368E-02 ppm1 1.779 ppm2 0.988 CV 1 OR { 2750} (( segid " A" and resid 282 and name HB )) ( segid " A" and resid 282 and name HG2%) ASSI { 2752} (( segid " A" and resid 213 and name HB )) ( segid " A" and resid 282 and name HG2%) 6.000 4.500 0.000 peak 2752 spectrum 1 weight 0.10000E+01 volume 0.24247E-02 ppm1 1.220 ppm2 0.993 CV 1 OR { 2752} (( segid " A" and resid 213 and name HB )) ( segid " A" and resid 282 and name HG1%) ASSI { 2753} (( segid " A" and resid 270 and name HG1 )) ( segid " A" and resid 282 and name HG2%) 6.000 4.500 0.000 peak 2753 spectrum 1 weight 0.10000E+01 volume 0.69076E-03 ppm1 1.605 ppm2 0.988 CV 1 OR { 2753} (( segid " A" and resid 270 and name HG1 )) ( segid " A" and resid 282 and name HG1%) ASSI { 2754} (( segid " A" and resid 284 and name HB2 )) ( segid " A" and resid 267 and name HG2%) 6.000 4.500 0.000 peak 2754 spectrum 1 weight 0.10000E+01 volume 0.20096E-02 ppm1 1.985 ppm2 0.980 CV 1 OR { 2754} (( segid " A" and resid 284 and name HB2 )) ( segid " A" and resid 267 and name HG1%) OR { 2754} (( segid " A" and resid 284 and name HB2 )) ( segid " A" and resid 211 and name HG2%) OR { 2754} (( segid " A" and resid 226 and name HB2 )) ( segid " A" and resid 228 and name HG1%) OR { 2754} (( segid " A" and resid 284 and name HB2 )) ( segid " A" and resid 282 and name HG2%) ASSI { 2755} (( segid " A" and resid 270 and name HB1 )) ( segid " A" and resid 282 and name HG1%) 6.000 4.500 0.000 peak 2755 spectrum 1 weight 0.10000E+01 volume 0.18950E-02 ppm1 1.924 ppm2 0.993 CV 1 OR { 2755} (( segid " A" and resid 270 and name HB1 )) ( segid " A" and resid 282 and name HG2%) ASSI { 2757} ( segid " A" and resid 214 and name HB% ) ( segid " A" and resid 168 and name HD2%) 6.000 4.500 0.000 peak 2757 spectrum 1 weight 0.10000E+01 volume 0.72147E-02 ppm1 1.273 ppm2 0.997 CV 1 OR { 2757} ( segid " A" and resid 214 and name HB% ) (( segid " A" and resid 281 and name HG2 )) ASSI { 2758} ( segid " A" and resid 228 and name HG2%) ( segid " A" and resid 228 and name HG1%) 6.000 4.500 0.000 peak 2758 spectrum 1 weight 0.10000E+01 volume 0.12983E-01 ppm1 0.473 ppm2 0.983 CV 1 ASSI { 2759} ( segid " A" and resid 213 and name HG1%) ( segid " A" and resid 282 and name HG2%) 6.000 4.500 0.000 peak 2759 spectrum 1 weight 0.10000E+01 volume 0.19750E-01 ppm1 0.341 ppm2 0.993 CV 1 OR { 2759} ( segid " A" and resid 213 and name HG1%) ( segid " A" and resid 282 and name HG1%) OR { 2759} ( segid " A" and resid 213 and name HG1%) ( segid " A" and resid 168 and name HD2%) ASSI { 2760} ( segid " A" and resid 213 and name HG2%) ( segid " A" and resid 282 and name HG2%) 6.000 4.500 0.000 peak 2760 spectrum 1 weight 0.10000E+01 volume 0.17523E-01 ppm1 0.405 ppm2 0.994 CV 1 OR { 2760} ( segid " A" and resid 213 and name HG2%) ( segid " A" and resid 282 and name HG1%) ASSI { 2761} ( segid " A" and resid 211 and name HD1%) ( segid " A" and resid 211 and name HG2%) 6.000 4.500 0.000 peak 2761 spectrum 1 weight 0.10000E+01 volume 0.16453E-01 ppm1 0.731 ppm2 0.962 CV 1 ASSI { 2762} ( segid " A" and resid 225 and name HD1%) ( segid " A" and resid 275 and name HD2%) 6.000 4.500 0.000 peak 2762 spectrum 1 weight 0.10000E+01 volume 0.14248E-01 ppm1 0.633 ppm2 0.983 CV 1 ASSI { 2763} (( segid " A" and resid 127 and name HA )) ( segid " A" and resid 123 and name HD1%) 6.000 4.500 0.000 peak 2763 spectrum 1 weight 0.10000E+01 volume 0.63088E-03 ppm1 3.975 ppm2 0.955 CV 1 OR { 2763} (( segid " A" and resid 127 and name HA )) ( segid " A" and resid 123 and name HD2%) ASSI { 2766} (( segid " A" and resid 263 and name HB2 )) ( segid " A" and resid 211 and name HG2%) 6.000 4.500 0.000 peak 2766 spectrum 1 weight 0.10000E+01 volume 0.29674E-02 ppm1 3.764 ppm2 0.964 CV 1 ASSI { 2767} (( segid " A" and resid 263 and name HA )) ( segid " A" and resid 211 and name HG2%) 6.000 4.500 0.000 peak 2767 spectrum 1 weight 0.10000E+01 volume 0.24647E-02 ppm1 3.675 ppm2 0.961 CV 1 OR { 2767} (( segid " A" and resid 263 and name HA )) ( segid " A" and resid 267 and name HG1%) ASSI { 2768} (( segid " A" and resid 268 and name HA )) ( segid " A" and resid 267 and name HG2%) 6.000 4.500 0.000 peak 2768 spectrum 1 weight 0.10000E+01 volume 0.19123E-02 ppm1 4.209 ppm2 0.959 CV 1 OR { 2768} (( segid " A" and resid 268 and name HA )) ( segid " A" and resid 267 and name HG1%) OR { 2768} (( segid " A" and resid 268 and name HA )) ( segid " A" and resid 282 and name HG1%) ASSI { 2769} (( segid " A" and resid 116 and name HA )) ( segid " A" and resid 185 and name HG2%) 6.000 4.500 0.000 peak 2769 spectrum 1 weight 0.10000E+01 volume 0.23707E-02 ppm1 4.575 ppm2 0.978 CV 1 OR { 2769} (( segid " A" and resid 116 and name HA )) ( segid " A" and resid 185 and name HG1%) ASSI { 2771} (( segid " A" and resid 264 and name HA )) ( segid " A" and resid 267 and name HG1%) 6.000 4.500 0.000 peak 2771 spectrum 1 weight 0.10000E+01 volume 0.31522E-02 ppm1 3.928 ppm2 0.966 CV 1 OR { 2771} (( segid " A" and resid 264 and name HA )) ( segid " A" and resid 267 and name HG2%) ASSI { 2772} (( segid " A" and resid 284 and name HA )) ( segid " A" and resid 211 and name HG2%) 6.000 4.500 0.000 peak 2772 spectrum 1 weight 0.10000E+01 volume 0.48029E-02 ppm1 4.413 ppm2 0.972 CV 1 OR { 2772} (( segid " A" and resid 284 and name HA )) ( segid " A" and resid 267 and name HG1%) OR { 2772} (( segid " A" and resid 284 and name HA )) ( segid " A" and resid 267 and name HG2%) ASSI { 2773} (( segid " A" and resid 281 and name HA )) (( segid " A" and resid 281 and name HG2 )) 6.000 4.500 0.000 peak 2773 spectrum 1 weight 0.10000E+01 volume 0.12356E-02 ppm1 5.263 ppm2 0.971 CV 1 ASSI { 2774} (( segid " A" and resid 283 and name HA1 )) ( segid " A" and resid 282 and name HG2%) 6.000 4.500 0.000 peak 2774 spectrum 1 weight 0.10000E+01 volume 0.27004E-02 ppm1 4.569 ppm2 0.973 CV 1 OR { 2774} (( segid " A" and resid 283 and name HA1 )) ( segid " A" and resid 267 and name HG2%) OR { 2774} (( segid " A" and resid 283 and name HA1 )) ( segid " A" and resid 282 and name HG1%) ASSI { 2775} (( segid " A" and resid 283 and name HA2 )) ( segid " A" and resid 267 and name HG2%) 6.000 4.500 0.000 peak 2775 spectrum 1 weight 0.10000E+01 volume 0.23869E-02 ppm1 4.026 ppm2 0.971 CV 1 OR { 2775} (( segid " A" and resid 283 and name HA2 )) ( segid " A" and resid 282 and name HG2%) OR { 2775} (( segid " A" and resid 283 and name HA2 )) ( segid " A" and resid 267 and name HG1%) ASSI { 2776} (( segid " A" and resid 281 and name HD1 )) (( segid " A" and resid 281 and name HG2 )) 6.000 4.500 0.000 peak 2776 spectrum 1 weight 0.10000E+01 volume 0.80373E-03 ppm1 3.169 ppm2 0.969 CV 1 ASSI { 2778} (( segid " A" and resid 273 and name HB2 )) ( segid " A" and resid 275 and name HD2%) 6.000 4.500 0.000 peak 2778 spectrum 1 weight 0.10000E+01 volume 0.72482E-02 ppm1 2.985 ppm2 0.969 CV 1 OR { 2778} (( segid " A" and resid 284 and name HE2 )) ( segid " A" and resid 267 and name HG1%) OR { 2778} (( segid " A" and resid 284 and name HE1 )) ( segid " A" and resid 267 and name HG1%) OR { 2778} (( segid " A" and resid 284 and name HE1 )) ( segid " A" and resid 267 and name HG2%) OR { 2778} (( segid " A" and resid 284 and name HE2 )) ( segid " A" and resid 267 and name HG2%) OR { 2778} (( segid " A" and resid 273 and name HB2 )) ( segid " A" and resid 228 and name HG1%) OR { 2778} (( segid " A" and resid 224 and name HB1 )) ( segid " A" and resid 275 and name HD2%) ASSI { 2779} (( segid " A" and resid 211 and name HB )) ( segid " A" and resid 211 and name HG2%) 6.000 4.500 0.000 peak 2779 spectrum 1 weight 0.10000E+01 volume 0.39078E-02 ppm1 2.004 ppm2 0.960 CV 1 OR { 2779} (( segid " A" and resid 183 and name HB )) ( segid " A" and resid 183 and name HG2%) ASSI { 2780} (( segid " A" and resid 264 and name HG1 )) ( segid " A" and resid 267 and name HG1%) 6.000 4.500 0.000 peak 2780 spectrum 1 weight 0.10000E+01 volume 0.29003E-02 ppm1 2.362 ppm2 0.955 CV 1 OR { 2780} (( segid " A" and resid 264 and name HG2 )) ( segid " A" and resid 267 and name HG1%) ASSI { 2781} (( segid " A" and resid 284 and name HB1 )) ( segid " A" and resid 267 and name HG2%) 6.000 4.500 0.000 peak 2781 spectrum 1 weight 0.10000E+01 volume 0.18788E-02 ppm1 1.817 ppm2 0.972 CV 1 OR { 2781} (( segid " A" and resid 284 and name HB1 )) ( segid " A" and resid 267 and name HG1%) OR { 2781} (( segid " A" and resid 284 and name HB1 )) ( segid " A" and resid 211 and name HG2%) ASSI { 2783} (( segid " A" and resid 264 and name HB2 )) ( segid " A" and resid 267 and name HG1%) 6.000 4.500 0.000 peak 2783 spectrum 1 weight 0.10000E+01 volume 0.12929E-02 ppm1 2.067 ppm2 0.958 CV 1 OR { 2783} (( segid " A" and resid 264 and name HB1 )) ( segid " A" and resid 267 and name HG1%) OR { 2783} (( segid " A" and resid 264 and name HB2 )) ( segid " A" and resid 267 and name HG2%) OR { 2783} (( segid " A" and resid 264 and name HB1 )) ( segid " A" and resid 267 and name HG2%) ASSI { 2784} (( segid " A" and resid 284 and name HG1 )) ( segid " A" and resid 267 and name HG1%) 6.000 4.500 0.000 peak 2784 spectrum 1 weight 0.10000E+01 volume 0.69141E-02 ppm1 1.534 ppm2 0.975 CV 1 OR { 2784} (( segid " A" and resid 284 and name HG2 )) ( segid " A" and resid 267 and name HG1%) OR { 2784} (( segid " A" and resid 284 and name HG1 )) ( segid " A" and resid 267 and name HG2%) OR { 2784} (( segid " A" and resid 284 and name HG2 )) ( segid " A" and resid 267 and name HG2%) OR { 2784} (( segid " A" and resid 284 and name HG1 )) ( segid " A" and resid 211 and name HG2%) ASSI { 2785} ( segid " A" and resid 116 and name HG1%) ( segid " A" and resid 185 and name HG1%) 6.000 4.500 0.000 peak 2785 spectrum 1 weight 0.10000E+01 volume 0.74373E-02 ppm1 0.290 ppm2 0.969 CV 1 OR { 2785} ( segid " A" and resid 116 and name HG1%) ( segid " A" and resid 185 and name HG2%) ASSI { 2786} ( segid " A" and resid 266 and name HB% ) ( segid " A" and resid 211 and name HG2%) 6.000 4.500 0.000 peak 2786 spectrum 1 weight 0.10000E+01 volume 0.83486E-02 ppm1 1.248 ppm2 0.976 CV 1 OR { 2786} ( segid " A" and resid 266 and name HB% ) ( segid " A" and resid 267 and name HG1%) OR { 2786} ( segid " A" and resid 266 and name HB% ) ( segid " A" and resid 267 and name HG2%) OR { 2786} ( segid " A" and resid 266 and name HB% ) ( segid " A" and resid 282 and name HG2%) ASSI { 2787} (( segid " A" and resid 127 and name HB )) ( segid " A" and resid 123 and name HD1%) 6.000 4.500 0.000 peak 2787 spectrum 1 weight 0.10000E+01 volume 0.21090E-02 ppm1 4.165 ppm2 0.938 CV 1 OR { 2787} (( segid " A" and resid 127 and name HB )) ( segid " A" and resid 123 and name HD2%) ASSI { 2788} (( segid " A" and resid 127 and name HA )) ( segid " A" and resid 123 and name HD1%) 6.000 4.500 0.000 peak 2788 spectrum 1 weight 0.10000E+01 volume 0.65639E-03 ppm1 3.996 ppm2 0.934 CV 1 OR { 2788} (( segid " A" and resid 127 and name HA )) ( segid " A" and resid 123 and name HD2%) ASSI { 2792} (( segid " A" and resid 118 and name HB2 )) ( segid " A" and resid 183 and name HG2%) 6.000 4.500 0.000 peak 2792 spectrum 1 weight 0.10000E+01 volume 0.91021E-03 ppm1 4.344 ppm2 0.949 CV 1 ASSI { 2795} (( segid " A" and resid 178 and name HB1 )) ( segid " A" and resid 183 and name HG2%) 6.000 4.500 0.000 peak 2795 spectrum 1 weight 0.10000E+01 volume 0.43186E-02 ppm1 1.576 ppm2 0.937 CV 1 ASSI { 2796} (( segid " A" and resid 178 and name HB2 )) ( segid " A" and resid 183 and name HG2%) 6.000 4.500 0.000 peak 2796 spectrum 1 weight 0.10000E+01 volume 0.35522E-02 ppm1 1.406 ppm2 0.935 CV 1 ASSI { 2797} (( segid " A" and resid 181 and name HD2 )) ( segid " A" and resid 183 and name HG2%) 6.000 4.500 0.000 peak 2797 spectrum 1 weight 0.10000E+01 volume 0.10311E-02 ppm1 2.999 ppm2 0.937 CV 1 OR { 2797} (( segid " A" and resid 181 and name HD1 )) ( segid " A" and resid 183 and name HG2%) OR { 2797} (( segid " A" and resid 181 and name HD2 )) ( segid " A" and resid 123 and name HD2%) ASSI { 2798} (( segid " A" and resid 123 and name HB2 )) ( segid " A" and resid 123 and name HD2%) 6.000 4.500 0.000 peak 2798 spectrum 1 weight 0.10000E+01 volume 0.23869E-02 ppm1 1.931 ppm2 0.936 CV 1 ASSI { 2799} (( segid " A" and resid 123 and name HB1 )) ( segid " A" and resid 123 and name HD1%) 6.000 4.500 0.000 peak 2799 spectrum 1 weight 0.10000E+01 volume 0.28614E-02 ppm1 1.375 ppm2 0.937 CV 1 ASSI { 2800} (( segid " A" and resid 199 and name HB2 )) ( segid " A" and resid 198 and name HG2%) 6.000 4.500 0.000 peak 2800 spectrum 1 weight 0.10000E+01 volume 0.44538E-03 ppm1 2.701 ppm2 0.936 CV 1 ASSI { 2801} (( segid " A" and resid 120 and name HB2 )) ( segid " A" and resid 123 and name HD2%) 6.000 4.500 0.000 peak 2801 spectrum 1 weight 0.10000E+01 volume 0.78016E-03 ppm1 3.136 ppm2 0.941 CV 1 ASSI { 2802} (( segid " A" and resid 120 and name HB1 )) ( segid " A" and resid 123 and name HD2%) 6.000 4.500 0.000 peak 2802 spectrum 1 weight 0.10000E+01 volume 0.11729E-02 ppm1 2.749 ppm2 0.939 CV 1 ASSI { 2804} ( segid " A" and resid 127 and name HG2%) ( segid " A" and resid 123 and name HD1%) 6.000 4.500 0.000 peak 2804 spectrum 1 weight 0.10000E+01 volume 0.18539E-01 ppm1 1.317 ppm2 0.937 CV 1 ASSI { 2805} ( segid " A" and resid 119 and name HG2%) ( segid " A" and resid 123 and name HD2%) 6.000 4.500 0.000 peak 2805 spectrum 1 weight 0.10000E+01 volume 0.10140E-01 ppm1 0.691 ppm2 0.943 CV 1 OR { 2805} ( segid " A" and resid 119 and name HG2%) ( segid " A" and resid 123 and name HD1%) ASSI { 2806} ( segid " A" and resid 128 and name HD1%) ( segid " A" and resid 123 and name HD2%) 6.000 4.500 0.000 peak 2806 spectrum 1 weight 0.10000E+01 volume 0.61790E-02 ppm1 0.485 ppm2 0.930 CV 1 OR { 2806} ( segid " A" and resid 128 and name HD1%) ( segid " A" and resid 123 and name HD1%) ASSI { 2807} (( segid " A" and resid 112 and name HA )) ( segid " A" and resid 114 and name HG2%) 6.000 4.500 0.000 peak 2807 spectrum 1 weight 0.10000E+01 volume 0.16702E-02 ppm1 4.175 ppm2 0.908 CV 1 OR { 2807} (( segid " A" and resid 229 and name HA )) ( segid " A" and resid 231 and name HB% ) OR { 2807} (( segid " A" and resid 215 and name HB2 )) ( segid " A" and resid 168 and name HD1%) ASSI { 2809} (( segid " A" and resid 119 and name HA )) ( segid " A" and resid 123 and name HD2%) 6.000 4.500 0.000 peak 2809 spectrum 1 weight 0.10000E+01 volume 0.37857E-02 ppm1 3.869 ppm2 0.915 CV 1 OR { 2809} (( segid " A" and resid 119 and name HA )) ( segid " A" and resid 183 and name HG2%) OR { 2809} (( segid " A" and resid 135 and name HA )) ( segid " A" and resid 168 and name HD1%) ASSI { 2810} (( segid " A" and resid 166 and name HA )) ( segid " A" and resid 114 and name HG2%) 6.000 4.500 0.000 peak 2810 spectrum 1 weight 0.10000E+01 volume 0.21815E-02 ppm1 3.632 ppm2 0.905 CV 1 ASSI { 2812} (( segid " A" and resid 224 and name HB2 )) ( segid " A" and resid 220 and name HD2%) 6.000 4.500 0.000 peak 2812 spectrum 1 weight 0.10000E+01 volume 0.10700E-02 ppm1 2.511 ppm2 0.899 CV 1 ASSI { 2813} (( segid " A" and resid 114 and name HB )) ( segid " A" and resid 114 and name HG1%) 6.000 4.500 0.000 peak 2813 spectrum 1 weight 0.10000E+01 volume 0.73811E-02 ppm1 2.097 ppm2 0.910 CV 1 ASSI { 2814} (( segid " A" and resid 217 and name HB2 )) ( segid " A" and resid 220 and name HD2%) 6.000 4.500 0.000 peak 2814 spectrum 1 weight 0.10000E+01 volume 0.84794E-03 ppm1 3.069 ppm2 0.904 CV 1 ASSI { 2815} (( segid " A" and resid 217 and name HB1 )) ( segid " A" and resid 220 and name HD2%) 6.000 4.500 0.000 peak 2815 spectrum 1 weight 0.10000E+01 volume 0.10116E-02 ppm1 2.799 ppm2 0.908 CV 1 ASSI { 2816} (( segid " A" and resid 281 and name HB1 )) ( segid " A" and resid 168 and name HD1%) 6.000 4.500 0.000 peak 2816 spectrum 1 weight 0.10000E+01 volume 0.11394E-02 ppm1 1.751 ppm2 0.914 CV 1 OR { 2816} (( segid " A" and resid 281 and name HB2 )) ( segid " A" and resid 168 and name HD1%) ASSI { 2817} ( segid " A" and resid 220 and name HD1%) ( segid " A" and resid 220 and name HD2%) 6.000 4.500 0.000 peak 2817 spectrum 1 weight 0.10000E+01 volume 0.17804E-01 ppm1 0.693 ppm2 0.909 CV 1 ASSI { 2818} ( segid " A" and resid 169 and name HB% ) ( segid " A" and resid 114 and name HG2%) 6.000 4.500 0.000 peak 2818 spectrum 1 weight 0.10000E+01 volume 0.75368E-02 ppm1 1.345 ppm2 0.903 CV 1 OR { 2818} ( segid " A" and resid 169 and name HB% ) ( segid " A" and resid 114 and name HG1%) ASSI { 2819} ( segid " A" and resid 202 and name HB% ) ( segid " A" and resid 198 and name HG2%) 6.000 4.500 0.000 peak 2819 spectrum 1 weight 0.10000E+01 volume 0.35684E-02 ppm1 1.558 ppm2 0.910 CV 1 ASSI { 2820} (( segid " A" and resid 215 and name HB1 )) ( segid " A" and resid 280 and name HD2%) 6.000 4.500 0.000 peak 2820 spectrum 1 weight 0.10000E+01 volume 0.97550E-03 ppm1 4.446 ppm2 0.877 CV 1 ASSI { 2821} (( segid " A" and resid 216 and name HA )) ( segid " A" and resid 280 and name HD2%) 6.000 4.500 0.000 peak 2821 spectrum 1 weight 0.10000E+01 volume 0.26496E-02 ppm1 3.449 ppm2 0.877 CV 1 ASSI { 2822} (( segid " A" and resid 175 and name HA )) ( segid " A" and resid 176 and name HG2%) 6.000 4.500 0.000 peak 2822 spectrum 1 weight 0.10000E+01 volume 0.56212E-03 ppm1 4.336 ppm2 0.880 CV 1 ASSI { 2823} (( segid " A" and resid 157 and name HA )) ( segid " A" and resid 114 and name HG1%) 6.000 4.500 0.000 peak 2823 spectrum 1 weight 0.10000E+01 volume 0.56699E-03 ppm1 5.452 ppm2 0.878 CV 1 ASSI { 2824} (( segid " A" and resid 113 and name HA )) ( segid " A" and resid 114 and name HG1%) 6.000 4.500 0.000 peak 2824 spectrum 1 weight 0.10000E+01 volume 0.87962E-03 ppm1 5.362 ppm2 0.888 CV 1 OR { 2824} (( segid " A" and resid 113 and name HA )) ( segid " A" and resid 114 and name HG2%) ASSI { 2825} (( segid " A" and resid 173 and name HA )) ( segid " A" and resid 183 and name HD1%) 6.000 4.500 0.000 peak 2825 spectrum 1 weight 0.10000E+01 volume 0.22647E-02 ppm1 5.040 ppm2 0.888 CV 1 OR { 2825} (( segid " A" and resid 173 and name HA )) ( segid " A" and resid 176 and name HG2%) OR { 2825} (( segid " A" and resid 159 and name HA )) ( segid " A" and resid 114 and name HG1%) ASSI { 2827} (( segid " A" and resid 113 and name HB2 )) ( segid " A" and resid 114 and name HG1%) 6.000 4.500 0.000 peak 2827 spectrum 1 weight 0.10000E+01 volume 0.95183E-03 ppm1 1.737 ppm2 0.884 CV 1 ASSI { 2828} (( segid " A" and resid 158 and name HB )) ( segid " A" and resid 114 and name HG1%) 6.000 4.500 0.000 peak 2828 spectrum 1 weight 0.10000E+01 volume 0.18593E-02 ppm1 1.432 ppm2 0.885 CV 1 ASSI { 2833} ( segid " A" and resid 216 and name HG2%) ( segid " A" and resid 280 and name HD2%) 6.000 4.500 0.000 peak 2833 spectrum 1 weight 0.10000E+01 volume 0.82373E-02 ppm1 0.374 ppm2 0.875 CV 1 ASSI { 2834} ( segid " A" and resid 116 and name HG1%) ( segid " A" and resid 114 and name HG1%) 6.000 4.500 0.000 peak 2834 spectrum 1 weight 0.10000E+01 volume 0.77595E-02 ppm1 0.289 ppm2 0.888 CV 1 ASSI { 2835} ( segid " A" and resid 213 and name HG2%) ( segid " A" and resid 280 and name HD2%) 6.000 4.500 0.000 peak 2835 spectrum 1 weight 0.10000E+01 volume 0.10156E-01 ppm1 0.404 ppm2 0.887 CV 1 ASSI { 2836} ( segid " A" and resid 107 and name HB% ) ( segid " A" and resid 197 and name HG2%) 6.000 4.500 0.000 peak 2836 spectrum 1 weight 0.10000E+01 volume 0.22550E-01 ppm1 1.470 ppm2 0.873 CV 1 OR { 2836} ( segid " A" and resid 166 and name HB% ) ( segid " A" and resid 114 and name HG1%) ASSI { 2837} (( segid " A" and resid 149 and name HB )) ( segid " A" and resid 148 and name HG2%) 6.000 4.500 0.000 peak 2837 spectrum 1 weight 0.10000E+01 volume 0.84989E-03 ppm1 4.111 ppm2 0.862 CV 1 ASSI { 2840} (( segid " A" and resid 108 and name HA )) ( segid " A" and resid 108 and name HD1%) 6.000 4.500 0.000 peak 2840 spectrum 1 weight 0.10000E+01 volume 0.80708E-02 ppm1 4.002 ppm2 0.859 CV 1 ASSI { 2842} (( segid " A" and resid 280 and name HB2 )) ( segid " A" and resid 280 and name HD2%) 6.000 4.500 0.000 peak 2842 spectrum 1 weight 0.10000E+01 volume 0.65542E-03 ppm1 2.258 ppm2 0.870 CV 1 ASSI { 2845} (( segid " A" and resid 275 and name HG )) ( segid " A" and resid 280 and name HD2%) 6.000 4.500 0.000 peak 2845 spectrum 1 weight 0.10000E+01 volume 0.14031E-01 ppm1 1.568 ppm2 0.856 CV 1 ASSI { 2846} ( segid " A" and resid 158 and name HG2%) (( segid " A" and resid 141 and name HG11)) 6.000 4.500 0.000 peak 2846 spectrum 1 weight 0.10000E+01 volume 0.68590E-02 ppm1 0.030 ppm2 0.850 CV 1 OR { 2846} ( segid " A" and resid 158 and name HG2%) ( segid " A" and resid 156 and name HB% ) ASSI { 2847} ( segid " A" and resid 173 and name HE% ) ( segid " A" and resid 183 and name HD1%) 6.000 4.500 0.000 peak 2847 spectrum 1 weight 0.10000E+01 volume 0.19620E-01 ppm1 1.385 ppm2 0.864 CV 1 OR { 2847} ( segid " A" and resid 173 and name HE% ) ( segid " A" and resid 176 and name HG2%) ASSI { 2849} (( segid " A" and resid 109 and name HA )) ( segid " A" and resid 108 and name HD1%) 6.000 4.500 0.000 peak 2849 spectrum 1 weight 0.10000E+01 volume 0.72514E-03 ppm1 4.097 ppm2 0.839 CV 1 OR { 2849} (( segid " A" and resid 109 and name HA )) ( segid " A" and resid 108 and name HD2%) OR { 2849} (( segid " A" and resid 109 and name HA )) ( segid " A" and resid 110 and name HG2%) ASSI { 2850} (( segid " A" and resid 107 and name HA )) ( segid " A" and resid 110 and name HG2%) 6.000 4.500 0.000 peak 2850 spectrum 1 weight 0.10000E+01 volume 0.28495E-02 ppm1 3.927 ppm2 0.827 CV 1 OR { 2850} (( segid " A" and resid 202 and name HA )) ( segid " A" and resid 201 and name HD2%) OR { 2850} (( segid " A" and resid 107 and name HA )) ( segid " A" and resid 108 and name HD2%) ASSI { 2851} (( segid " A" and resid 155 and name HA )) ( segid " A" and resid 156 and name HB% ) 6.000 4.500 0.000 peak 2851 spectrum 1 weight 0.10000E+01 volume 0.46894E-03 ppm1 5.518 ppm2 0.827 CV 1 ASSI { 2852} (( segid " A" and resid 178 and name HA )) ( segid " A" and resid 178 and name HD2%) 6.000 4.500 0.000 peak 2852 spectrum 1 weight 0.10000E+01 volume 0.64612E-02 ppm1 4.630 ppm2 0.818 CV 1 OR { 2852} (( segid " A" and resid 178 and name HA )) ( segid " A" and resid 178 and name HD1%) ASSI { 2853} (( segid " A" and resid 131 and name HA )) ( segid " A" and resid 178 and name HD2%) 6.000 4.500 0.000 peak 2853 spectrum 1 weight 0.10000E+01 volume 0.12853E-02 ppm1 4.193 ppm2 0.821 CV 1 OR { 2853} (( segid " A" and resid 131 and name HA )) ( segid " A" and resid 178 and name HD1%) ASSI { 2855} (( segid " A" and resid 178 and name HB1 )) ( segid " A" and resid 178 and name HD2%) 6.000 4.500 0.000 peak 2855 spectrum 1 weight 0.10000E+01 volume 0.51726E-02 ppm1 1.576 ppm2 0.820 CV 1 OR { 2855} (( segid " A" and resid 178 and name HB1 )) ( segid " A" and resid 178 and name HD1%) ASSI { 2856} (( segid " A" and resid 178 and name HB2 )) ( segid " A" and resid 178 and name HD1%) 6.000 4.500 0.000 peak 2856 spectrum 1 weight 0.10000E+01 volume 0.52667E-02 ppm1 1.404 ppm2 0.824 CV 1 OR { 2856} (( segid " A" and resid 178 and name HB2 )) ( segid " A" and resid 178 and name HD2%) ASSI { 2858} (( segid " A" and resid 108 and name HB2 )) ( segid " A" and resid 108 and name HD1%) 6.000 4.500 0.000 peak 2858 spectrum 1 weight 0.10000E+01 volume 0.65401E-02 ppm1 1.476 ppm2 0.837 CV 1 ASSI { 2859} (( segid " A" and resid 116 and name HB )) ( segid " A" and resid 156 and name HB% ) 6.000 4.500 0.000 peak 2859 spectrum 1 weight 0.10000E+01 volume 0.12713E-02 ppm1 1.563 ppm2 0.828 CV 1 ASSI { 2860} (( segid " A" and resid 110 and name HG12)) ( segid " A" and resid 110 and name HG2%) 6.000 4.500 0.000 peak 2860 spectrum 1 weight 0.10000E+01 volume 0.33057E-02 ppm1 1.036 ppm2 0.831 CV 1 ASSI { 2861} (( segid " A" and resid 110 and name HG11)) ( segid " A" and resid 110 and name HG2%) 6.000 4.500 0.000 peak 2861 spectrum 1 weight 0.10000E+01 volume 0.63358E-02 ppm1 1.713 ppm2 0.820 CV 1 ASSI { 2863} (( segid " A" and resid 200 and name HB1 )) ( segid " A" and resid 201 and name HD2%) 6.000 4.500 0.000 peak 2863 spectrum 1 weight 0.10000E+01 volume 0.17102E-02 ppm1 2.255 ppm2 0.827 CV 1 ASSI { 2864} (( segid " A" and resid 163 and name HG1 )) ( segid " A" and resid 108 and name HD1%) 6.000 4.500 0.000 peak 2864 spectrum 1 weight 0.10000E+01 volume 0.28614E-02 ppm1 1.991 ppm2 0.823 CV 1 OR { 2864} (( segid " A" and resid 163 and name HG1 )) ( segid " A" and resid 108 and name HD2%) ASSI { 2866} ( segid " A" and resid 127 and name HG2%) ( segid " A" and resid 178 and name HD2%) 6.000 4.500 0.000 peak 2866 spectrum 1 weight 0.10000E+01 volume 0.13113E-01 ppm1 1.317 ppm2 0.819 CV 1 OR { 2866} ( segid " A" and resid 127 and name HG2%) ( segid " A" and resid 178 and name HD1%) ASSI { 2867} ( segid " A" and resid 143 and name HE% ) ( segid " A" and resid 156 and name HB% ) 6.000 4.500 0.000 peak 2867 spectrum 1 weight 0.10000E+01 volume 0.37187E-02 ppm1 1.269 ppm2 0.827 CV 1 ASSI { 2868} ( segid " A" and resid 119 and name HD1%) ( segid " A" and resid 156 and name HB% ) 6.000 4.500 0.000 peak 2868 spectrum 1 weight 0.10000E+01 volume 0.63044E-02 ppm1 0.241 ppm2 0.830 CV 1 ASSI { 2869} ( segid " A" and resid 128 and name HD1%) ( segid " A" and resid 156 and name HB% ) 6.000 4.500 0.000 peak 2869 spectrum 1 weight 0.10000E+01 volume 0.11415E-01 ppm1 0.484 ppm2 0.821 CV 1 ASSI { 2871} (( segid " A" and resid 127 and name HB )) ( segid " A" and resid 178 and name HD2%) 6.000 4.500 0.000 peak 2871 spectrum 1 weight 0.10000E+01 volume 0.10464E-02 ppm1 4.162 ppm2 0.814 CV 1 OR { 2871} (( segid " A" and resid 127 and name HB )) ( segid " A" and resid 178 and name HD1%) ASSI { 2873} (( segid " A" and resid 198 and name HA )) ( segid " A" and resid 201 and name HD1%) 6.000 4.500 0.000 peak 2873 spectrum 1 weight 0.10000E+01 volume 0.37014E-02 ppm1 3.548 ppm2 0.800 CV 1 ASSI { 2874} (( segid " A" and resid 128 and name HA )) ( segid " A" and resid 178 and name HD1%) 6.000 4.500 0.000 peak 2874 spectrum 1 weight 0.10000E+01 volume 0.16896E-02 ppm1 3.718 ppm2 0.813 CV 1 OR { 2874} (( segid " A" and resid 128 and name HA )) ( segid " A" and resid 178 and name HD2%) ASSI { 2877} (( segid " A" and resid 287 and name HA )) ( segid " A" and resid 201 and name HD1%) 6.000 4.500 0.000 peak 2877 spectrum 1 weight 0.10000E+01 volume 0.22009E-02 ppm1 4.652 ppm2 0.802 CV 1 OR { 2877} (( segid " A" and resid 287 and name HA )) ( segid " A" and resid 201 and name HD2%) ASSI { 2878} (( segid " A" and resid 288 and name HD2 )) ( segid " A" and resid 201 and name HD2%) 6.000 4.500 0.000 peak 2878 spectrum 1 weight 0.10000E+01 volume 0.12659E-02 ppm1 3.924 ppm2 0.807 CV 1 ASSI { 2880} (( segid " A" and resid 186 and name HA1 )) ( segid " A" and resid 170 and name HD2%) 6.000 4.500 0.000 peak 2880 spectrum 1 weight 0.10000E+01 volume 0.15545E-02 ppm1 4.483 ppm2 0.793 CV 1 ASSI { 2881} (( segid " A" and resid 186 and name HA2 )) ( segid " A" and resid 170 and name HD2%) 6.000 4.500 0.000 peak 2881 spectrum 1 weight 0.10000E+01 volume 0.17177E-02 ppm1 3.893 ppm2 0.794 CV 1 OR { 2881} (( segid " A" and resid 186 and name HA2 )) ( segid " A" and resid 170 and name HD1%) ASSI { 2884} (( segid " A" and resid 272 and name HB1 )) ( segid " A" and resid 272 and name HD1%) 6.000 4.500 0.000 peak 2884 spectrum 1 weight 0.10000E+01 volume 0.30106E-02 ppm1 1.555 ppm2 0.796 CV 1 ASSI { 2885} (( segid " A" and resid 171 and name HG2 )) ( segid " A" and resid 170 and name HD1%) 6.000 4.500 0.000 peak 2885 spectrum 1 weight 0.10000E+01 volume 0.10339E-02 ppm1 2.652 ppm2 0.797 CV 1 ASSI { 2886} (( segid " A" and resid 185 and name HB )) ( segid " A" and resid 170 and name HD1%) 6.000 4.500 0.000 peak 2886 spectrum 1 weight 0.10000E+01 volume 0.19123E-02 ppm1 1.884 ppm2 0.803 CV 1 OR { 2886} (( segid " A" and resid 185 and name HB )) ( segid " A" and resid 170 and name HD2%) ASSI { 2888} (( segid " A" and resid 200 and name HG1 )) ( segid " A" and resid 197 and name HD1%) 6.000 4.500 0.000 peak 2888 spectrum 1 weight 0.10000E+01 volume 0.15350E-02 ppm1 2.544 ppm2 0.806 CV 1 OR { 2888} (( segid " A" and resid 200 and name HG1 )) ( segid " A" and resid 201 and name HD2%) ASSI { 2889} (( segid " A" and resid 204 and name HB1 )) ( segid " A" and resid 201 and name HD2%) 6.000 4.500 0.000 peak 2889 spectrum 1 weight 0.10000E+01 volume 0.83130E-03 ppm1 2.073 ppm2 0.799 CV 1 OR { 2889} (( segid " A" and resid 288 and name HB1 )) ( segid " A" and resid 201 and name HD2%) ASSI { 2891} (( segid " A" and resid 137 and name HG1 )) ( segid " A" and resid 162 and name HG2%) 6.000 4.500 0.000 peak 2891 spectrum 1 weight 0.10000E+01 volume 0.17480E-02 ppm1 2.266 ppm2 0.797 CV 1 OR { 2891} (( segid " A" and resid 200 and name HB1 )) ( segid " A" and resid 197 and name HD1%) OR { 2891} (( segid " A" and resid 200 and name HB1 )) ( segid " A" and resid 201 and name HD2%) ASSI { 2894} (( segid " A" and resid 288 and name HG1 )) ( segid " A" and resid 201 and name HD2%) 6.000 4.500 0.000 peak 2894 spectrum 1 weight 0.10000E+01 volume 0.12323E-02 ppm1 2.314 ppm2 0.813 CV 1 ASSI { 2895} ( segid " A" and resid 205 and name HB% ) ( segid " A" and resid 286 and name HG1%) 6.000 4.500 0.000 peak 2895 spectrum 1 weight 0.10000E+01 volume 0.40689E-02 ppm1 1.145 ppm2 0.810 CV 1 OR { 2895} ( segid " A" and resid 205 and name HB% ) ( segid " A" and resid 201 and name HD2%) OR { 2895} ( segid " A" and resid 205 and name HB% ) ( segid " A" and resid 201 and name HD1%) ASSI { 2896} (( segid " A" and resid 138 and name HA )) ( segid " A" and resid 138 and name HD1%) 6.000 4.500 0.000 peak 2896 spectrum 1 weight 0.10000E+01 volume 0.15837E-02 ppm1 3.745 ppm2 0.761 CV 1 ASSI { 2897} (( segid " A" and resid 164 and name HA )) (( segid " A" and resid 164 and name HB2 )) 6.000 4.500 0.000 peak 2897 spectrum 1 weight 0.10000E+01 volume 0.19037E-02 ppm1 3.300 ppm2 0.766 CV 1 OR { 2897} (( segid " A" and resid 164 and name HA )) (( segid " A" and resid 164 and name HB1 )) ASSI { 2900} (( segid " A" and resid 250 and name HA )) ( segid " A" and resid 241 and name HB% ) 6.000 4.500 0.000 peak 2900 spectrum 1 weight 0.10000E+01 volume 0.12161E-02 ppm1 4.425 ppm2 0.774 CV 1 OR { 2900} (( segid " A" and resid 250 and name HA )) (( segid " A" and resid 240 and name HB1 )) ASSI { 2901} (( segid " A" and resid 133 and name HA )) ( segid " A" and resid 138 and name HD1%) 6.000 4.500 0.000 peak 2901 spectrum 1 weight 0.10000E+01 volume 0.32268E-02 ppm1 4.702 ppm2 0.761 CV 1 OR { 2901} (( segid " A" and resid 212 and name HA )) (( segid " A" and resid 164 and name HB2 )) ASSI { 2902} (( segid " A" and resid 169 and name HA )) ( segid " A" and resid 170 and name HD1%) 6.000 4.500 0.000 peak 2902 spectrum 1 weight 0.10000E+01 volume 0.63671E-03 ppm1 2.391 ppm2 0.777 CV 1 OR { 2902} (( segid " A" and resid 169 and name HA )) ( segid " A" and resid 170 and name HD2%) OR { 2902} (( segid " A" and resid 169 and name HA )) ( segid " A" and resid 138 and name HD1%) OR { 2902} (( segid " A" and resid 266 and name HA )) ( segid " A" and resid 272 and name HD1%) OR { 2902} (( segid " A" and resid 169 and name HA )) (( segid " A" and resid 164 and name HB2 )) ASSI { 2903} (( segid " A" and resid 285 and name HA )) ( segid " A" and resid 286 and name HG1%) 6.000 4.500 0.000 peak 2903 spectrum 1 weight 0.10000E+01 volume 0.15761E-02 ppm1 4.749 ppm2 0.772 CV 1 OR { 2903} (( segid " A" and resid 285 and name HA )) (( segid " A" and resid 164 and name HB2 )) ASSI { 2905} (( segid " A" and resid 194 and name HA )) ( segid " A" and resid 197 and name HD1%) 6.000 4.500 0.000 peak 2905 spectrum 1 weight 0.10000E+01 volume 0.24409E-02 ppm1 4.494 ppm2 0.783 CV 1 ASSI { 2907} (( segid " A" and resid 250 and name HE1 )) ( segid " A" and resid 241 and name HB% ) 6.000 4.500 0.000 peak 2907 spectrum 1 weight 0.10000E+01 volume 0.34960E-02 ppm1 2.989 ppm2 0.776 CV 1 OR { 2907} (( segid " A" and resid 252 and name HB2 )) ( segid " A" and resid 241 and name HB% ) OR { 2907} (( segid " A" and resid 252 and name HB2 )) ( segid " A" and resid 162 and name HG2%) OR { 2907} (( segid " A" and resid 284 and name HE1 )) ( segid " A" and resid 286 and name HG1%) OR { 2907} (( segid " A" and resid 284 and name HE2 )) ( segid " A" and resid 286 and name HG1%) OR { 2907} (( segid " A" and resid 273 and name HB2 )) ( segid " A" and resid 272 and name HD1%) OR { 2907} (( segid " A" and resid 252 and name HB2 )) (( segid " A" and resid 164 and name HB2 )) OR { 2907} (( segid " A" and resid 252 and name HB2 )) (( segid " A" and resid 240 and name HB1 )) ASSI { 2908} (( segid " A" and resid 250 and name HE2 )) ( segid " A" and resid 241 and name HB% ) 6.000 4.500 0.000 peak 2908 spectrum 1 weight 0.10000E+01 volume 0.24528E-02 ppm1 2.951 ppm2 0.777 CV 1 ASSI { 2909} (( segid " A" and resid 132 and name HB2 )) ( segid " A" and resid 138 and name HD1%) 6.000 4.500 0.000 peak 2909 spectrum 1 weight 0.10000E+01 volume 0.67898E-03 ppm1 3.529 ppm2 0.764 CV 1 ASSI { 2912} (( segid " A" and resid 125 and name HB2 )) ( segid " A" and resid 141 and name HD1%) 6.000 4.500 0.000 peak 2912 spectrum 1 weight 0.10000E+01 volume 0.11848E-02 ppm1 2.146 ppm2 0.771 CV 1 OR { 2912} (( segid " A" and resid 171 and name HB1 )) ( segid " A" and resid 170 and name HD1%) ASSI { 2913} (( segid " A" and resid 138 and name HG12)) ( segid " A" and resid 138 and name HD1%) 6.000 4.500 0.000 peak 2913 spectrum 1 weight 0.10000E+01 volume 0.23015E-02 ppm1 1.900 ppm2 0.774 CV 1 ASSI { 2914} (( segid " A" and resid 138 and name HG11)) ( segid " A" and resid 138 and name HD1%) 6.000 4.500 0.000 peak 2914 spectrum 1 weight 0.10000E+01 volume 0.13556E-02 ppm1 0.315 ppm2 0.765 CV 1 ASSI { 2915} (( segid " A" and resid 137 and name HG1 )) ( segid " A" and resid 162 and name HG2%) 6.000 4.500 0.000 peak 2915 spectrum 1 weight 0.10000E+01 volume 0.17480E-02 ppm1 2.276 ppm2 0.782 CV 1 OR { 2915} (( segid " A" and resid 200 and name HB1 )) ( segid " A" and resid 197 and name HD1%) OR { 2915} (( segid " A" and resid 200 and name HB1 )) ( segid " A" and resid 201 and name HD2%) ASSI { 2917} ( segid " A" and resid 286 and name HG2%) ( segid " A" and resid 286 and name HG1%) 6.000 4.500 0.000 peak 2917 spectrum 1 weight 0.10000E+01 volume 0.19491E-01 ppm1 0.551 ppm2 0.780 CV 1 ASSI { 2918} ( segid " A" and resid 202 and name HB% ) ( segid " A" and resid 286 and name HG1%) 6.000 4.500 0.000 peak 2918 spectrum 1 weight 0.10000E+01 volume 0.34625E-02 ppm1 1.559 ppm2 0.787 CV 1 OR { 2918} ( segid " A" and resid 202 and name HB% ) ( segid " A" and resid 201 and name HD1%) OR { 2918} ( segid " A" and resid 202 and name HB% ) ( segid " A" and resid 201 and name HD2%) ASSI { 2920} (( segid " A" and resid 137 and name HA )) ( segid " A" and resid 138 and name HD1%) 6.000 4.500 0.000 peak 2920 spectrum 1 weight 0.10000E+01 volume 0.65736E-03 ppm1 4.654 ppm2 0.760 CV 1 ASSI { 2921} (( segid " A" and resid 129 and name HA )) ( segid " A" and resid 138 and name HD1%) 6.000 4.500 0.000 peak 2921 spectrum 1 weight 0.10000E+01 volume 0.55337E-02 ppm1 3.656 ppm2 0.742 CV 1 OR { 2921} (( segid " A" and resid 129 and name HA )) ( segid " A" and resid 141 and name HD1%) ASSI { 2924} (( segid " A" and resid 284 and name HA )) ( segid " A" and resid 286 and name HG1%) 6.000 4.500 0.000 peak 2924 spectrum 1 weight 0.10000E+01 volume 0.11253E-02 ppm1 4.420 ppm2 0.757 CV 1 OR { 2924} (( segid " A" and resid 284 and name HA )) ( segid " A" and resid 211 and name HD1%) OR { 2924} (( segid " A" and resid 250 and name HA )) ( segid " A" and resid 241 and name HB% ) ASSI { 2925} (( segid " A" and resid 249 and name HA )) (( segid " A" and resid 240 and name HB1 )) 6.000 4.500 0.000 peak 2925 spectrum 1 weight 0.10000E+01 volume 0.62590E-03 ppm1 5.362 ppm2 0.755 CV 1 OR { 2925} (( segid " A" and resid 249 and name HA )) ( segid " A" and resid 241 and name HB% ) ASSI { 2926} (( segid " A" and resid 107 and name HA )) ( segid " A" and resid 110 and name HD1%) 6.000 4.500 0.000 peak 2926 spectrum 1 weight 0.10000E+01 volume 0.30971E-02 ppm1 3.929 ppm2 0.743 CV 1 ASSI { 2927} (( segid " A" and resid 129 and name HD2 )) ( segid " A" and resid 141 and name HD1%) 6.000 4.500 0.000 peak 2927 spectrum 1 weight 0.10000E+01 volume 0.13988E-02 ppm1 3.332 ppm2 0.746 CV 1 OR { 2927} (( segid " A" and resid 129 and name HD2 )) ( segid " A" and resid 138 and name HD1%) ASSI { 2928} (( segid " A" and resid 141 and name HB )) ( segid " A" and resid 141 and name HD1%) 6.000 4.500 0.000 peak 2928 spectrum 1 weight 0.10000E+01 volume 0.43575E-02 ppm1 1.620 ppm2 0.743 CV 1 ASSI { 2929} (( segid " A" and resid 132 and name HB1 )) ( segid " A" and resid 138 and name HD1%) 6.000 4.500 0.000 peak 2929 spectrum 1 weight 0.10000E+01 volume 0.73984E-03 ppm1 2.839 ppm2 0.746 CV 1 ASSI { 2930} (( segid " A" and resid 125 and name HG1 )) ( segid " A" and resid 141 and name HD1%) 6.000 4.500 0.000 peak 2930 spectrum 1 weight 0.10000E+01 volume 0.41630E-02 ppm1 2.220 ppm2 0.746 CV 1 OR { 2930} (( segid " A" and resid 125 and name HG2 )) ( segid " A" and resid 141 and name HD1%) ASSI { 2931} (( segid " A" and resid 158 and name HB )) ( segid " A" and resid 141 and name HD1%) 6.000 4.500 0.000 peak 2931 spectrum 1 weight 0.10000E+01 volume 0.73498E-03 ppm1 1.428 ppm2 0.741 CV 1 OR { 2931} (( segid " A" and resid 158 and name HB )) ( segid " A" and resid 138 and name HD1%) ASSI { 2932} (( segid " A" and resid 129 and name HB2 )) ( segid " A" and resid 141 and name HD1%) 6.000 4.500 0.000 peak 2932 spectrum 1 weight 0.10000E+01 volume 0.31674E-02 ppm1 1.951 ppm2 0.748 CV 1 OR { 2932} (( segid " A" and resid 129 and name HB2 )) ( segid " A" and resid 138 and name HD1%) ASSI { 2933} (( segid " A" and resid 129 and name HB1 )) ( segid " A" and resid 141 and name HD1%) 6.000 4.500 0.000 peak 2933 spectrum 1 weight 0.10000E+01 volume 0.31717E-02 ppm1 1.877 ppm2 0.757 CV 1 OR { 2933} (( segid " A" and resid 129 and name HB1 )) ( segid " A" and resid 138 and name HD1%) ASSI { 2934} (( segid " A" and resid 110 and name HG11)) ( segid " A" and resid 110 and name HD1%) 6.000 4.500 0.000 peak 2934 spectrum 1 weight 0.10000E+01 volume 0.75487E-02 ppm1 1.712 ppm2 0.744 CV 1 ASSI { 2935} (( segid " A" and resid 141 and name HG11)) ( segid " A" and resid 141 and name HD1%) 6.000 4.500 0.000 peak 2935 spectrum 1 weight 0.10000E+01 volume 0.26333E-02 ppm1 0.834 ppm2 0.737 CV 1 ASSI { 2936} ( segid " A" and resid 158 and name HG1%) ( segid " A" and resid 138 and name HD1%) 6.000 4.500 0.000 peak 2936 spectrum 1 weight 0.10000E+01 volume 0.82600E-02 ppm1 0.130 ppm2 0.756 CV 1 OR { 2936} ( segid " A" and resid 158 and name HG1%) ( segid " A" and resid 141 and name HD1%) ASSI { 2937} ( segid " A" and resid 158 and name HG2%) ( segid " A" and resid 141 and name HD1%) 6.000 4.500 0.000 peak 2937 spectrum 1 weight 0.10000E+01 volume 0.68309E-02 ppm1 0.030 ppm2 0.752 CV 1 ASSI { 2938} ( segid " A" and resid 194 and name HB% ) ( segid " A" and resid 110 and name HD1%) 6.000 4.500 0.000 peak 2938 spectrum 1 weight 0.10000E+01 volume 0.15631E-01 ppm1 1.431 ppm2 0.749 CV 1 OR { 2938} ( segid " A" and resid 194 and name HB% ) ( segid " A" and resid 198 and name HD1%) ASSI { 2939} ( segid " A" and resid 266 and name HB% ) ( segid " A" and resid 211 and name HD1%) 6.000 4.500 0.000 peak 2939 spectrum 1 weight 0.10000E+01 volume 0.66104E-02 ppm1 1.248 ppm2 0.737 CV 1 ASSI { 2940} ( segid " A" and resid 138 and name HG2%) ( segid " A" and resid 141 and name HD1%) 6.000 4.500 0.000 peak 2940 spectrum 1 weight 0.10000E+01 volume 0.25750E-01 ppm1 0.534 ppm2 0.753 CV 1 OR { 2940} ( segid " A" and resid 138 and name HG2%) ( segid " A" and resid 138 and name HD1%) ASSI { 2941} ( segid " A" and resid 133 and name HB% ) ( segid " A" and resid 138 and name HD1%) 6.000 4.500 0.000 peak 2941 spectrum 1 weight 0.10000E+01 volume 0.79378E-02 ppm1 1.607 ppm2 0.760 CV 1 ASSI { 2942} ( segid " A" and resid 141 and name HG2%) ( segid " A" and resid 141 and name HD1%) 6.000 4.500 0.000 peak 2942 spectrum 1 weight 0.10000E+01 volume 0.16831E-01 ppm1 0.593 ppm2 0.739 CV 1 ASSI { 2943} ( segid " A" and resid 270 and name HE% ) ( segid " A" and resid 211 and name HD1%) 6.000 4.500 0.000 peak 2943 spectrum 1 weight 0.10000E+01 volume 0.16983E-02 ppm1 0.185 ppm2 0.743 CV 1 ASSI { 2944} (( segid " A" and resid 191 and name HA )) ( segid " A" and resid 198 and name HD1%) 6.000 4.500 0.000 peak 2944 spectrum 1 weight 0.10000E+01 volume 0.29836E-02 ppm1 4.018 ppm2 0.732 CV 1 OR { 2944} (( segid " A" and resid 191 and name HA )) ( segid " A" and resid 110 and name HD1%) OR { 2944} (( segid " A" and resid 262 and name HA )) ( segid " A" and resid 211 and name HD1%) ASSI { 2945} (( segid " A" and resid 119 and name HA )) ( segid " A" and resid 119 and name HG2%) 6.000 4.500 0.000 peak 2945 spectrum 1 weight 0.10000E+01 volume 0.41186E-02 ppm1 3.862 ppm2 0.708 CV 1 ASSI { 2946} (( segid " A" and resid 185 and name HA )) ( segid " A" and resid 116 and name HG2%) 6.000 4.500 0.000 peak 2946 spectrum 1 weight 0.10000E+01 volume 0.72903E-03 ppm1 5.343 ppm2 0.729 CV 1 ASSI { 2947} (( segid " A" and resid 126 and name HA )) ( segid " A" and resid 141 and name HD1%) 6.000 4.500 0.000 peak 2947 spectrum 1 weight 0.10000E+01 volume 0.16453E-02 ppm1 4.349 ppm2 0.722 CV 1 ASSI { 2948} (( segid " A" and resid 255 and name HB )) ( segid " A" and resid 211 and name HD1%) 6.000 4.500 0.000 peak 2948 spectrum 1 weight 0.10000E+01 volume 0.67401E-03 ppm1 1.231 ppm2 0.713 CV 1 ASSI { 2949} (( segid " A" and resid 211 and name HB )) ( segid " A" and resid 211 and name HD1%) 6.000 4.500 0.000 peak 2949 spectrum 1 weight 0.10000E+01 volume 0.15502E-02 ppm1 2.008 ppm2 0.728 CV 1 ASSI { 2950} (( segid " A" and resid 110 and name HB )) ( segid " A" and resid 110 and name HD1%) 6.000 4.500 0.000 peak 2950 spectrum 1 weight 0.10000E+01 volume 0.51413E-02 ppm1 1.876 ppm2 0.732 CV 1 ASSI { 2951} (( segid " A" and resid 121 and name HB2 )) ( segid " A" and resid 119 and name HG2%) 6.000 4.500 0.000 peak 2951 spectrum 1 weight 0.10000E+01 volume 0.83519E-03 ppm1 2.812 ppm2 0.707 CV 1 ASSI { 2952} (( segid " A" and resid 116 and name HB )) ( segid " A" and resid 116 and name HG2%) 6.000 4.500 0.000 peak 2952 spectrum 1 weight 0.10000E+01 volume 0.18788E-02 ppm1 1.561 ppm2 0.717 CV 1 ASSI { 2955} (( segid " A" and resid 198 and name HG11)) ( segid " A" and resid 198 and name HD1%) 6.000 4.500 0.000 peak 2955 spectrum 1 weight 0.10000E+01 volume 0.27793E-02 ppm1 1.222 ppm2 0.711 CV 1 OR { 2955} (( segid " A" and resid 119 and name HG11)) ( segid " A" and resid 119 and name HG2%) ASSI { 2957} ( segid " A" and resid 116 and name HG1%) ( segid " A" and resid 116 and name HG2%) 6.000 4.500 0.000 peak 2957 spectrum 1 weight 0.10000E+01 volume 0.10250E-01 ppm1 0.289 ppm2 0.715 CV 1 ASSI { 2958} ( segid " A" and resid 198 and name HG2%) ( segid " A" and resid 198 and name HD1%) 6.000 4.500 0.000 peak 2958 spectrum 1 weight 0.10000E+01 volume 0.16745E-01 ppm1 0.923 ppm2 0.726 CV 1 ASSI { 2959} (( segid " A" and resid 257 and name HA )) ( segid " A" and resid 235 and name HD1%) 6.000 4.500 0.000 peak 2959 spectrum 1 weight 0.10000E+01 volume 0.74773E-03 ppm1 4.851 ppm2 0.680 CV 1 ASSI { 2961} (( segid " A" and resid 279 and name HA )) ( segid " A" and resid 272 and name HD2%) 6.000 4.500 0.000 peak 2961 spectrum 1 weight 0.10000E+01 volume 0.90329E-03 ppm1 4.808 ppm2 0.695 CV 1 OR { 2961} (( segid " A" and resid 279 and name HA )) ( segid " A" and resid 220 and name HD1%) ASSI { 2962} (( segid " A" and resid 123 and name HA )) ( segid " A" and resid 119 and name HG2%) 6.000 4.500 0.000 peak 2962 spectrum 1 weight 0.10000E+01 volume 0.98242E-03 ppm1 4.389 ppm2 0.694 CV 1 ASSI { 2964} (( segid " A" and resid 281 and name HA )) ( segid " A" and resid 272 and name HD2%) 6.000 4.500 0.000 peak 2964 spectrum 1 weight 0.10000E+01 volume 0.73595E-03 ppm1 5.262 ppm2 0.696 CV 1 ASSI { 2965} (( segid " A" and resid 123 and name HB2 )) ( segid " A" and resid 119 and name HG2%) 6.000 4.500 0.000 peak 2965 spectrum 1 weight 0.10000E+01 volume 0.11718E-02 ppm1 1.926 ppm2 0.687 CV 1 ASSI { 2966} (( segid " A" and resid 123 and name HB1 )) ( segid " A" and resid 119 and name HG2%) 6.000 4.500 0.000 peak 2966 spectrum 1 weight 0.10000E+01 volume 0.10853E-02 ppm1 1.361 ppm2 0.691 CV 1 ASSI { 2968} (( segid " A" and resid 119 and name HB )) ( segid " A" and resid 119 and name HG2%) 6.000 4.500 0.000 peak 2968 spectrum 1 weight 0.10000E+01 volume 0.14421E-02 ppm1 1.137 ppm2 0.692 CV 1 ASSI { 2970} (( segid " A" and resid 279 and name HB2 )) ( segid " A" and resid 272 and name HD2%) 6.000 4.500 0.000 peak 2970 spectrum 1 weight 0.10000E+01 volume 0.12129E-02 ppm1 2.726 ppm2 0.693 CV 1 ASSI { 2971} (( segid " A" and resid 230 and name HG1 )) ( segid " A" and resid 235 and name HD1%) 6.000 4.500 0.000 peak 2971 spectrum 1 weight 0.10000E+01 volume 0.37349E-02 ppm1 2.551 ppm2 0.679 CV 1 OR { 2971} (( segid " A" and resid 230 and name HG2 )) ( segid " A" and resid 235 and name HD1%) ASSI { 2972} (( segid " A" and resid 217 and name HB2 )) ( segid " A" and resid 220 and name HD1%) 6.000 4.500 0.000 peak 2972 spectrum 1 weight 0.10000E+01 volume 0.55931E-03 ppm1 3.053 ppm2 0.693 CV 1 ASSI { 2973} (( segid " A" and resid 217 and name HB1 )) ( segid " A" and resid 220 and name HD1%) 6.000 4.500 0.000 peak 2973 spectrum 1 weight 0.10000E+01 volume 0.55023E-03 ppm1 2.795 ppm2 0.692 CV 1 ASSI { 2974} (( segid " A" and resid 119 and name HG12)) ( segid " A" and resid 119 and name HG2%) 6.000 4.500 0.000 peak 2974 spectrum 1 weight 0.10000E+01 volume 0.99215E-03 ppm1 0.426 ppm2 0.700 CV 1 ASSI { 2975} (( segid " A" and resid 272 and name HG )) ( segid " A" and resid 272 and name HD2%) 6.000 4.500 0.000 peak 2975 spectrum 1 weight 0.10000E+01 volume 0.72147E-02 ppm1 1.511 ppm2 0.680 CV 1 ASSI { 2976} ( segid " A" and resid 123 and name HD2%) ( segid " A" and resid 119 and name HG2%) 6.000 4.500 0.000 peak 2976 spectrum 1 weight 0.10000E+01 volume 0.64850E-02 ppm1 0.952 ppm2 0.689 CV 1 ASSI { 2978} ( segid " A" and resid 143 and name HE% ) ( segid " A" and resid 119 and name HG2%) 6.000 4.500 0.000 peak 2978 spectrum 1 weight 0.10000E+01 volume 0.32701E-02 ppm1 1.268 ppm2 0.698 CV 1 ASSI { 2979} ( segid " A" and resid 119 and name HD1%) ( segid " A" and resid 119 and name HG2%) 6.000 4.500 0.000 peak 2979 spectrum 1 weight 0.10000E+01 volume 0.10140E-01 ppm1 0.240 ppm2 0.699 CV 1 ASSI { 2980} ( segid " A" and resid 128 and name HD1%) ( segid " A" and resid 116 and name HG2%) 6.000 4.500 0.000 peak 2980 spectrum 1 weight 0.10000E+01 volume 0.98102E-02 ppm1 0.485 ppm2 0.699 CV 1 OR { 2980} ( segid " A" and resid 128 and name HD1%) ( segid " A" and resid 119 and name HG2%) ASSI { 2981} (( segid " A" and resid 229 and name HA )) ( segid " A" and resid 235 and name HD1%) 6.000 4.500 0.000 peak 2981 spectrum 1 weight 0.10000E+01 volume 0.12086E-02 ppm1 4.167 ppm2 0.676 CV 1 ASSI { 2984} (( segid " A" and resid 251 and name HA2 )) ( segid " A" and resid 216 and name HG1%) 6.000 4.500 0.000 peak 2984 spectrum 1 weight 0.10000E+01 volume 0.69963E-03 ppm1 4.326 ppm2 0.669 CV 1 ASSI { 2985} (( segid " A" and resid 251 and name HA1 )) ( segid " A" and resid 216 and name HG1%) 6.000 4.500 0.000 peak 2985 spectrum 1 weight 0.10000E+01 volume 0.76449E-03 ppm1 4.124 ppm2 0.678 CV 1 ASSI { 2990} (( segid " A" and resid 235 and name HG11)) ( segid " A" and resid 235 and name HD1%) 6.000 4.500 0.000 peak 2990 spectrum 1 weight 0.10000E+01 volume 0.74092E-03 ppm1 0.037 ppm2 0.667 CV 1 ASSI { 2991} (( segid " A" and resid 230 and name HB1 )) ( segid " A" and resid 235 and name HD1%) 6.000 4.500 0.000 peak 2991 spectrum 1 weight 0.10000E+01 volume 0.16961E-02 ppm1 2.288 ppm2 0.678 CV 1 ASSI { 2994} ( segid " A" and resid 240 and name HD1%) ( segid " A" and resid 216 and name HG1%) 6.000 4.500 0.000 peak 2994 spectrum 1 weight 0.10000E+01 volume 0.73595E-02 ppm1 -0.085 ppm2 0.661 CV 1 ASSI { 2996} ( segid " A" and resid 214 and name HB% ) ( segid " A" and resid 165 and name HB% ) 6.000 4.500 0.000 peak 2996 spectrum 1 weight 0.10000E+01 volume 0.20755E-02 ppm1 1.271 ppm2 0.669 CV 1 ASSI { 2997} ( segid " A" and resid 216 and name HG2%) ( segid " A" and resid 216 and name HG1%) 6.000 4.500 0.000 peak 2997 spectrum 1 weight 0.10000E+01 volume 0.17696E-01 ppm1 0.374 ppm2 0.658 CV 1 ASSI { 2998} ( segid " A" and resid 255 and name HG2%) ( segid " A" and resid 235 and name HD1%) 6.000 4.500 0.000 peak 2998 spectrum 1 weight 0.10000E+01 volume 0.92826E-02 ppm1 0.219 ppm2 0.659 CV 1 ASSI { 3000} (( segid " A" and resid 160 and name HA )) ( segid " A" and resid 165 and name HB% ) 6.000 4.500 0.000 peak 3000 spectrum 1 weight 0.10000E+01 volume 0.78708E-03 ppm1 5.110 ppm2 0.646 CV 1 ASSI { 3001} (( segid " A" and resid 222 and name HA )) ( segid " A" and resid 225 and name HD1%) 6.000 4.500 0.000 peak 3001 spectrum 1 weight 0.10000E+01 volume 0.11729E-02 ppm1 3.701 ppm2 0.628 CV 1 OR { 3001} (( segid " A" and resid 222 and name HA )) ( segid " A" and resid 225 and name HG2%) ASSI { 3004} (( segid " A" and resid 137 and name HD2 )) ( segid " A" and resid 165 and name HB% ) 6.000 4.500 0.000 peak 3004 spectrum 1 weight 0.10000E+01 volume 0.73498E-03 ppm1 3.189 ppm2 0.646 CV 1 ASSI { 3007} (( segid " A" and resid 225 and name HG11)) ( segid " A" and resid 225 and name HD1%) 6.000 4.500 0.000 peak 3007 spectrum 1 weight 0.10000E+01 volume 0.66893E-02 ppm1 1.042 ppm2 0.635 CV 1 OR { 3007} (( segid " A" and resid 225 and name HG11)) ( segid " A" and resid 225 and name HG2%) ASSI { 3008} ( segid " A" and resid 275 and name HD2%) ( segid " A" and resid 225 and name HD1%) 6.000 4.500 0.000 peak 3008 spectrum 1 weight 0.10000E+01 volume 0.92934E-02 ppm1 0.968 ppm2 0.642 CV 1 ASSI { 3009} ( segid " A" and resid 240 and name HD2%) ( segid " A" and resid 216 and name HG1%) 6.000 4.500 0.000 peak 3009 spectrum 1 weight 0.10000E+01 volume 0.97161E-02 ppm1 0.083 ppm2 0.647 CV 1 ASSI { 3010} ( segid " A" and resid 213 and name HG2%) ( segid " A" and resid 225 and name HG2%) 6.000 4.500 0.000 peak 3010 spectrum 1 weight 0.10000E+01 volume 0.13675E-01 ppm1 0.400 ppm2 0.635 CV 1 OR { 3010} ( segid " A" and resid 216 and name HG2%) ( segid " A" and resid 225 and name HD1%) ASSI { 3011} ( segid " A" and resid 213 and name HG1%) ( segid " A" and resid 225 and name HG2%) 6.000 4.500 0.000 peak 3011 spectrum 1 weight 0.10000E+01 volume 0.11621E-01 ppm1 0.347 ppm2 0.634 CV 1 OR { 3011} ( segid " A" and resid 216 and name HG2%) ( segid " A" and resid 225 and name HD1%) ASSI { 3012} ( segid " A" and resid 162 and name HG2%) ( segid " A" and resid 165 and name HB% ) 6.000 4.500 0.000 peak 3012 spectrum 1 weight 0.10000E+01 volume 0.12205E-01 ppm1 0.777 ppm2 0.644 CV 1 ASSI { 3013} ( segid " A" and resid 169 and name HB% ) ( segid " A" and resid 165 and name HB% ) 6.000 4.500 0.000 peak 3013 spectrum 1 weight 0.10000E+01 volume 0.13242E-02 ppm1 1.347 ppm2 0.646 CV 1 ASSI { 3015} (( segid " A" and resid 228 and name HB )) ( segid " A" and resid 225 and name HG2%) 6.000 4.500 0.000 peak 3015 spectrum 1 weight 0.10000E+01 volume 0.97691E-03 ppm1 2.071 ppm2 0.613 CV 1 OR { 3015} (( segid " A" and resid 228 and name HB )) ( segid " A" and resid 225 and name HD1%) ASSI { 3016} (( segid " A" and resid 125 and name HB2 )) ( segid " A" and resid 141 and name HG2%) 6.000 4.500 0.000 peak 3016 spectrum 1 weight 0.10000E+01 volume 0.82340E-03 ppm1 2.154 ppm2 0.604 CV 1 ASSI { 3017} ( segid " A" and resid 255 and name HD1%) ( segid " A" and resid 225 and name HG2%) 6.000 4.500 0.000 peak 3017 spectrum 1 weight 0.10000E+01 volume 0.12842E-01 ppm1 -0.126 ppm2 0.611 CV 1 ASSI { 3020} (( segid " A" and resid 257 and name HA )) ( segid " A" and resid 235 and name HG2%) 6.000 4.500 0.000 peak 3020 spectrum 1 weight 0.10000E+01 volume 0.90048E-03 ppm1 4.843 ppm2 0.583 CV 1 ASSI { 3022} (( segid " A" and resid 142 and name HA )) ( segid " A" and resid 141 and name HG2%) 6.000 4.500 0.000 peak 3022 spectrum 1 weight 0.10000E+01 volume 0.63866E-03 ppm1 5.019 ppm2 0.588 CV 1 ASSI { 3024} (( segid " A" and resid 226 and name HE1 )) ( segid " A" and resid 235 and name HG2%) 6.000 4.500 0.000 peak 3024 spectrum 1 weight 0.10000E+01 volume 0.64536E-02 ppm1 2.841 ppm2 0.577 CV 1 ASSI { 3026} (( segid " A" and resid 125 and name HG1 )) ( segid " A" and resid 141 and name HG2%) 6.000 4.500 0.000 peak 3026 spectrum 1 weight 0.10000E+01 volume 0.43857E-02 ppm1 2.219 ppm2 0.585 CV 1 OR { 3026} (( segid " A" and resid 125 and name HG2 )) ( segid " A" and resid 141 and name HG2%) ASSI { 3027} (( segid " A" and resid 143 and name HG2 )) ( segid " A" and resid 141 and name HG2%) 6.000 4.500 0.000 peak 3027 spectrum 1 weight 0.10000E+01 volume 0.19869E-02 ppm1 2.231 ppm2 0.586 CV 1 ASSI { 3028} (( segid " A" and resid 235 and name HG12)) ( segid " A" and resid 235 and name HG2%) 6.000 4.500 0.000 peak 3028 spectrum 1 weight 0.10000E+01 volume 0.18539E-02 ppm1 1.940 ppm2 0.583 CV 1 ASSI { 3029} (( segid " A" and resid 235 and name HG11)) ( segid " A" and resid 235 and name HG2%) 6.000 4.500 0.000 peak 3029 spectrum 1 weight 0.10000E+01 volume 0.55996E-03 ppm1 0.031 ppm2 0.590 CV 1 ASSI { 3030} (( segid " A" and resid 226 and name HD2 )) ( segid " A" and resid 235 and name HG2%) 6.000 4.500 0.000 peak 3030 spectrum 1 weight 0.10000E+01 volume 0.28225E-02 ppm1 1.641 ppm2 0.577 CV 1 OR { 3030} (( segid " A" and resid 226 and name HD1 )) ( segid " A" and resid 235 and name HG2%) ASSI { 3031} (( segid " A" and resid 234 and name HD1 )) ( segid " A" and resid 235 and name HG2%) 6.000 4.500 0.000 peak 3031 spectrum 1 weight 0.10000E+01 volume 0.69866E-03 ppm1 1.725 ppm2 0.577 CV 1 OR { 3031} (( segid " A" and resid 284 and name HD1 )) ( segid " A" and resid 286 and name HG2%) OR { 3031} (( segid " A" and resid 284 and name HD2 )) ( segid " A" and resid 286 and name HG2%) ASSI { 3032} (( segid " A" and resid 141 and name HG11)) ( segid " A" and resid 141 and name HG2%) 6.000 4.500 0.000 peak 3032 spectrum 1 weight 0.10000E+01 volume 0.20204E-02 ppm1 0.818 ppm2 0.571 CV 1 ASSI { 3033} (( segid " A" and resid 238 and name HB2 )) ( segid " A" and resid 235 and name HG2%) 6.000 4.500 0.000 peak 3033 spectrum 1 weight 0.10000E+01 volume 0.14540E-02 ppm1 2.804 ppm2 0.581 CV 1 OR { 3033} (( segid " A" and resid 238 and name HB2 )) (( segid " A" and resid 255 and name HG12)) ASSI { 3034} (( segid " A" and resid 238 and name HB1 )) (( segid " A" and resid 255 and name HG12)) 6.000 4.500 0.000 peak 3034 spectrum 1 weight 0.10000E+01 volume 0.12778E-02 ppm1 2.321 ppm2 0.579 CV 1 OR { 3034} (( segid " A" and resid 238 and name HB1 )) ( segid " A" and resid 235 and name HG2%) ASSI { 3036} ( segid " A" and resid 255 and name HG2%) (( segid " A" and resid 255 and name HG12)) 6.000 4.500 0.000 peak 3036 spectrum 1 weight 0.10000E+01 volume 0.10644E-01 ppm1 0.218 ppm2 0.586 CV 1 ASSI { 3038} (( segid " A" and resid 163 and name HA )) ( segid " A" and resid 286 and name HG2%) 6.000 4.500 0.000 peak 3038 spectrum 1 weight 0.10000E+01 volume 0.46202E-03 ppm1 4.127 ppm2 0.558 CV 1 ASSI { 3040} (( segid " A" and resid 226 and name HA )) ( segid " A" and resid 235 and name HG2%) 6.000 4.500 0.000 peak 3040 spectrum 1 weight 0.10000E+01 volume 0.21231E-02 ppm1 3.652 ppm2 0.564 CV 1 OR { 3040} (( segid " A" and resid 129 and name HA )) ( segid " A" and resid 141 and name HG2%) OR { 3040} (( segid " A" and resid 226 and name HA )) (( segid " A" and resid 255 and name HG12)) ASSI { 3042} (( segid " A" and resid 125 and name HA )) ( segid " A" and resid 128 and name HG2%) 6.000 4.500 0.000 peak 3042 spectrum 1 weight 0.10000E+01 volume 0.21815E-02 ppm1 3.707 ppm2 0.543 CV 1 ASSI { 3043} (( segid " A" and resid 140 and name HA )) ( segid " A" and resid 138 and name HG2%) 6.000 4.500 0.000 peak 3043 spectrum 1 weight 0.10000E+01 volume 0.24182E-02 ppm1 4.480 ppm2 0.554 CV 1 ASSI { 3044} (( segid " A" and resid 139 and name HA )) ( segid " A" and resid 138 and name HG2%) 6.000 4.500 0.000 peak 3044 spectrum 1 weight 0.10000E+01 volume 0.10686E-02 ppm1 4.299 ppm2 0.552 CV 1 OR { 3044} (( segid " A" and resid 236 and name HA )) ( segid " A" and resid 235 and name HG2%) ASSI { 3045} (( segid " A" and resid 285 and name HA )) ( segid " A" and resid 286 and name HG2%) 6.000 4.500 0.000 peak 3045 spectrum 1 weight 0.10000E+01 volume 0.97961E-03 ppm1 4.747 ppm2 0.562 CV 1 ASSI { 3049} (( segid " A" and resid 141 and name HG12)) ( segid " A" and resid 141 and name HG2%) 6.000 4.500 0.000 peak 3049 spectrum 1 weight 0.10000E+01 volume 0.33371E-02 ppm1 1.500 ppm2 0.560 CV 1 ASSI { 3050} (( segid " A" and resid 163 and name HG1 )) ( segid " A" and resid 286 and name HG2%) 6.000 4.500 0.000 peak 3050 spectrum 1 weight 0.10000E+01 volume 0.15426E-02 ppm1 1.994 ppm2 0.549 CV 1 ASSI { 3051} (( segid " A" and resid 163 and name HG2 )) ( segid " A" and resid 286 and name HG2%) 6.000 4.500 0.000 peak 3051 spectrum 1 weight 0.10000E+01 volume 0.12302E-02 ppm1 1.879 ppm2 0.551 CV 1 ASSI { 3052} ( segid " A" and resid 287 and name HG2%) ( segid " A" and resid 286 and name HG2%) 6.000 4.500 0.000 peak 3052 spectrum 1 weight 0.10000E+01 volume 0.74925E-02 ppm1 1.080 ppm2 0.552 CV 1 ASSI { 3054} ( segid " A" and resid 158 and name HG2%) ( segid " A" and resid 128 and name HG2%) 6.000 4.500 0.000 peak 3054 spectrum 1 weight 0.10000E+01 volume 0.97626E-02 ppm1 0.031 ppm2 0.545 CV 1 ASSI { 3055} ( segid " A" and resid 285 and name HB% ) ( segid " A" and resid 286 and name HG2%) 6.000 4.500 0.000 peak 3055 spectrum 1 weight 0.10000E+01 volume 0.13859E-02 ppm1 1.512 ppm2 0.552 CV 1 ASSI { 3056} ( segid " A" and resid 205 and name HB% ) ( segid " A" and resid 286 and name HG2%) 6.000 4.500 0.000 peak 3056 spectrum 1 weight 0.10000E+01 volume 0.12637E-02 ppm1 1.145 ppm2 0.557 CV 1 ASSI { 3057} ( segid " A" and resid 202 and name HB% ) ( segid " A" and resid 286 and name HG2%) 6.000 4.500 0.000 peak 3057 spectrum 1 weight 0.10000E+01 volume 0.15253E-02 ppm1 1.562 ppm2 0.557 CV 1 ASSI { 3058} ( segid " A" and resid 111 and name HE% ) ( segid " A" and resid 286 and name HG2%) 6.000 4.500 0.000 peak 3058 spectrum 1 weight 0.10000E+01 volume 0.14918E-01 ppm1 1.964 ppm2 0.551 CV 1 ASSI { 3059} (( segid " A" and resid 138 and name HA )) ( segid " A" and resid 138 and name HG2%) 6.000 4.500 0.000 peak 3059 spectrum 1 weight 0.10000E+01 volume 0.25155E-02 ppm1 3.748 ppm2 0.531 CV 1 ASSI { 3061} (( segid " A" and resid 133 and name HA )) ( segid " A" and resid 138 and name HG2%) 6.000 4.500 0.000 peak 3061 spectrum 1 weight 0.10000E+01 volume 0.69466E-03 ppm1 4.698 ppm2 0.529 CV 1 OR { 3061} (( segid " A" and resid 133 and name HA )) ( segid " A" and resid 128 and name HG2%) ASSI { 3063} (( segid " A" and resid 158 and name HB )) ( segid " A" and resid 128 and name HG2%) 6.000 4.500 0.000 peak 3063 spectrum 1 weight 0.10000E+01 volume 0.65044E-03 ppm1 1.427 ppm2 0.536 CV 1 OR { 3063} (( segid " A" and resid 158 and name HB )) ( segid " A" and resid 138 and name HG2%) ASSI { 3064} (( segid " A" and resid 138 and name HG12)) ( segid " A" and resid 138 and name HG2%) 6.000 4.500 0.000 peak 3064 spectrum 1 weight 0.10000E+01 volume 0.11588E-02 ppm1 1.901 ppm2 0.533 CV 1 ASSI { 3065} (( segid " A" and resid 138 and name HG11)) ( segid " A" and resid 138 and name HG2%) 6.000 4.500 0.000 peak 3065 spectrum 1 weight 0.10000E+01 volume 0.91994E-03 ppm1 0.318 ppm2 0.531 CV 1 ASSI { 3066} ( segid " A" and resid 158 and name HG1%) ( segid " A" and resid 138 and name HG2%) 6.000 4.500 0.000 peak 3066 spectrum 1 weight 0.10000E+01 volume 0.78600E-02 ppm1 0.130 ppm2 0.538 CV 1 OR { 3066} ( segid " A" and resid 158 and name HG1%) ( segid " A" and resid 128 and name HG2%) ASSI { 3067} ( segid " A" and resid 169 and name HB% ) ( segid " A" and resid 128 and name HG2%) 6.000 4.500 0.000 peak 3067 spectrum 1 weight 0.10000E+01 volume 0.11275E-02 ppm1 1.342 ppm2 0.541 CV 1 OR { 3067} ( segid " A" and resid 169 and name HB% ) ( segid " A" and resid 138 and name HG2%) ASSI { 3068} ( segid " A" and resid 133 and name HB% ) ( segid " A" and resid 138 and name HG2%) 6.000 4.500 0.000 peak 3068 spectrum 1 weight 0.10000E+01 volume 0.16172E-02 ppm1 1.609 ppm2 0.538 CV 1 OR { 3068} ( segid " A" and resid 133 and name HB% ) ( segid " A" and resid 128 and name HG2%) ASSI { 3069} ( segid " A" and resid 173 and name HE% ) ( segid " A" and resid 128 and name HG2%) 6.000 4.500 0.000 peak 3069 spectrum 1 weight 0.10000E+01 volume 0.13167E-02 ppm1 1.384 ppm2 0.520 CV 1 ASSI { 3070} ( segid " A" and resid 183 and name HD1%) ( segid " A" and resid 128 and name HG2%) 6.000 4.500 0.000 peak 3070 spectrum 1 weight 0.10000E+01 volume 0.19069E-02 ppm1 0.860 ppm2 0.532 CV 1 ASSI { 3073} (( segid " A" and resid 128 and name HG12)) ( segid " A" and resid 128 and name HD1%) 6.000 4.500 0.000 peak 3073 spectrum 1 weight 0.10000E+01 volume 0.45305E-02 ppm1 1.204 ppm2 0.499 CV 1 OR { 3073} (( segid " A" and resid 128 and name HG11)) ( segid " A" and resid 128 and name HD1%) ASSI { 3074} ( segid " A" and resid 178 and name HD1%) ( segid " A" and resid 128 and name HD1%) 6.000 4.500 0.000 peak 3074 spectrum 1 weight 0.10000E+01 volume 0.90934E-02 ppm1 0.816 ppm2 0.495 CV 1 ASSI { 3075} ( segid " A" and resid 123 and name HD1%) ( segid " A" and resid 128 and name HD1%) 6.000 4.500 0.000 peak 3075 spectrum 1 weight 0.10000E+01 volume 0.28301E-02 ppm1 0.931 ppm2 0.487 CV 1 ASSI { 3076} ( segid " A" and resid 127 and name HG2%) ( segid " A" and resid 128 and name HD1%) 6.000 4.500 0.000 peak 3076 spectrum 1 weight 0.10000E+01 volume 0.30733E-02 ppm1 1.317 ppm2 0.489 CV 1 ASSI { 3077} ( segid " A" and resid 116 and name HG1%) ( segid " A" and resid 128 and name HG2%) 6.000 4.500 0.000 peak 3077 spectrum 1 weight 0.10000E+01 volume 0.34625E-02 ppm1 0.290 ppm2 0.505 CV 1 OR { 3077} ( segid " A" and resid 116 and name HG1%) ( segid " A" and resid 128 and name HD1%) ASSI { 3078} ( segid " A" and resid 131 and name HB% ) ( segid " A" and resid 128 and name HG2%) 6.000 4.500 0.000 peak 3078 spectrum 1 weight 0.10000E+01 volume 0.33446E-02 ppm1 1.446 ppm2 0.513 CV 1 ASSI { 3079} ( segid " A" and resid 183 and name HG2%) ( segid " A" and resid 128 and name HD1%) 6.000 4.500 0.000 peak 3079 spectrum 1 weight 0.10000E+01 volume 0.21988E-02 ppm1 0.947 ppm2 0.494 CV 1 ASSI { 3080} ( segid " A" and resid 143 and name HE% ) ( segid " A" and resid 128 and name HD1%) 6.000 4.500 0.000 peak 3080 spectrum 1 weight 0.10000E+01 volume 0.41024E-02 ppm1 1.269 ppm2 0.493 CV 1 ASSI { 3082} (( segid " A" and resid 229 and name HA )) ( segid " A" and resid 228 and name HG2%) 6.000 4.500 0.000 peak 3082 spectrum 1 weight 0.10000E+01 volume 0.89075E-03 ppm1 4.167 ppm2 0.481 CV 1 ASSI { 3083} (( segid " A" and resid 225 and name HA )) ( segid " A" and resid 228 and name HG2%) 6.000 4.500 0.000 peak 3083 spectrum 1 weight 0.10000E+01 volume 0.80568E-03 ppm1 3.825 ppm2 0.481 CV 1 ASSI { 3085} ( segid " A" and resid 275 and name HD2%) ( segid " A" and resid 228 and name HG2%) 6.000 4.500 0.000 peak 3085 spectrum 1 weight 0.10000E+01 volume 0.22398E-02 ppm1 0.966 ppm2 0.470 CV 1 ASSI { 3086} ( segid " A" and resid 123 and name HD2%) ( segid " A" and resid 128 and name HD1%) 6.000 4.500 0.000 peak 3086 spectrum 1 weight 0.10000E+01 volume 0.21869E-02 ppm1 0.952 ppm2 0.485 CV 1 ASSI { 3087} ( segid " A" and resid 275 and name HD1%) ( segid " A" and resid 228 and name HG2%) 6.000 4.500 0.000 peak 3087 spectrum 1 weight 0.10000E+01 volume 0.27393E-02 ppm1 1.043 ppm2 0.472 CV 1 ASSI { 3089} ( segid " A" and resid 116 and name HG2%) ( segid " A" and resid 128 and name HD1%) 6.000 4.500 0.000 peak 3089 spectrum 1 weight 0.10000E+01 volume 0.55575E-02 ppm1 0.711 ppm2 0.486 CV 1 ASSI { 3090} ( segid " A" and resid 270 and name HE% ) ( segid " A" and resid 228 and name HG2%) 6.000 4.500 0.000 peak 3090 spectrum 1 weight 0.10000E+01 volume 0.10235E-01 ppm1 0.183 ppm2 0.471 CV 1 ASSI { 3092} (( segid " A" and resid 119 and name HB )) (( segid " A" and resid 119 and name HG12)) 6.000 4.500 0.000 peak 3092 spectrum 1 weight 0.10000E+01 volume 0.43705E-03 ppm1 1.125 ppm2 0.440 CV 1 ASSI { 3093} (( segid " A" and resid 215 and name HA )) ( segid " A" and resid 213 and name HG2%) 6.000 4.500 0.000 peak 3093 spectrum 1 weight 0.10000E+01 volume 0.10897E-02 ppm1 3.852 ppm2 0.407 CV 1 ASSI { 3094} (( segid " A" and resid 282 and name HA )) ( segid " A" and resid 213 and name HG2%) 6.000 4.500 0.000 peak 3094 spectrum 1 weight 0.10000E+01 volume 0.85097E-03 ppm1 5.381 ppm2 0.378 CV 1 ASSI { 3095} (( segid " A" and resid 214 and name HA )) ( segid " A" and resid 216 and name HG2%) 6.000 4.500 0.000 peak 3095 spectrum 1 weight 0.10000E+01 volume 0.14507E-02 ppm1 5.104 ppm2 0.384 CV 1 OR { 3095} (( segid " A" and resid 214 and name HA )) ( segid " A" and resid 213 and name HG2%) ASSI { 3097} ( segid " A" and resid 225 and name HG2%) ( segid " A" and resid 213 and name HG2%) 6.000 4.500 0.000 peak 3097 spectrum 1 weight 0.10000E+01 volume 0.77152E-02 ppm1 0.614 ppm2 0.386 CV 1 OR { 3097} ( segid " A" and resid 225 and name HG2%) ( segid " A" and resid 216 and name HG2%) ASSI { 3098} ( segid " A" and resid 225 and name HD1%) ( segid " A" and resid 216 and name HG2%) 6.000 4.500 0.000 peak 3098 spectrum 1 weight 0.10000E+01 volume 0.73152E-02 ppm1 0.633 ppm2 0.379 CV 1 ASSI { 3101} (( segid " A" and resid 212 and name HA )) ( segid " A" and resid 213 and name HG1%) 6.000 4.500 0.000 peak 3101 spectrum 1 weight 0.10000E+01 volume 0.11275E-02 ppm1 4.710 ppm2 0.357 CV 1 ASSI { 3102} (( segid " A" and resid 252 and name HA )) ( segid " A" and resid 216 and name HG2%) 6.000 4.500 0.000 peak 3102 spectrum 1 weight 0.10000E+01 volume 0.93378E-03 ppm1 5.602 ppm2 0.377 CV 1 ASSI { 3103} (( segid " A" and resid 251 and name HA2 )) ( segid " A" and resid 216 and name HG2%) 6.000 4.500 0.000 peak 3103 spectrum 1 weight 0.10000E+01 volume 0.46137E-03 ppm1 4.312 ppm2 0.376 CV 1 ASSI { 3105} (( segid " A" and resid 225 and name HB )) ( segid " A" and resid 213 and name HG1%) 6.000 4.500 0.000 peak 3105 spectrum 1 weight 0.10000E+01 volume 0.72806E-03 ppm1 1.828 ppm2 0.371 CV 1 OR { 3105} (( segid " A" and resid 225 and name HB )) ( segid " A" and resid 216 and name HG2%) OR { 3105} (( segid " A" and resid 225 and name HB )) ( segid " A" and resid 213 and name HG2%) ASSI { 3108} (( segid " A" and resid 255 and name HG12)) ( segid " A" and resid 213 and name HG1%) 6.000 4.500 0.000 peak 3108 spectrum 1 weight 0.10000E+01 volume 0.65336E-03 ppm1 0.563 ppm2 0.359 CV 1 ASSI { 3109} (( segid " A" and resid 225 and name HG12)) ( segid " A" and resid 216 and name HG2%) 6.000 4.500 0.000 peak 3109 spectrum 1 weight 0.10000E+01 volume 0.10047E-02 ppm1 1.514 ppm2 0.371 CV 1 OR { 3109} (( segid " A" and resid 225 and name HG12)) ( segid " A" and resid 213 and name HG1%) ASSI { 3110} ( segid " A" and resid 220 and name HD2%) ( segid " A" and resid 216 and name HG2%) 6.000 4.500 0.000 peak 3110 spectrum 1 weight 0.10000E+01 volume 0.12778E-02 ppm1 0.904 ppm2 0.373 CV 1 OR { 3110} ( segid " A" and resid 220 and name HD2%) ( segid " A" and resid 213 and name HG2%) ASSI { 3111} (( segid " A" and resid 240 and name HG )) ( segid " A" and resid 216 and name HG2%) 6.000 4.500 0.000 peak 3111 spectrum 1 weight 0.10000E+01 volume 0.65542E-03 ppm1 1.135 ppm2 0.373 CV 1 OR { 3111} (( segid " A" and resid 240 and name HG )) ( segid " A" and resid 213 and name HG1%) ASSI { 3112} (( segid " A" and resid 225 and name HG11)) ( segid " A" and resid 216 and name HG2%) 6.000 4.500 0.000 peak 3112 spectrum 1 weight 0.10000E+01 volume 0.45748E-02 ppm1 1.050 ppm2 0.378 CV 1 OR { 3112} ( segid " A" and resid 280 and name HD1%) ( segid " A" and resid 216 and name HG2%) OR { 3112} (( segid " A" and resid 225 and name HG11)) ( segid " A" and resid 213 and name HG1%) ASSI { 3113} ( segid " A" and resid 240 and name HD1%) ( segid " A" and resid 216 and name HG2%) 6.000 4.500 0.000 peak 3113 spectrum 1 weight 0.10000E+01 volume 0.25306E-02 ppm1 -0.085 ppm2 0.377 CV 1 ASSI { 3114} ( segid " A" and resid 214 and name HB% ) ( segid " A" and resid 213 and name HG2%) 6.000 4.500 0.000 peak 3114 spectrum 1 weight 0.10000E+01 volume 0.28020E-02 ppm1 1.272 ppm2 0.375 CV 1 OR { 3114} ( segid " A" and resid 214 and name HB% ) ( segid " A" and resid 216 and name HG2%) OR { 3114} ( segid " A" and resid 214 and name HB% ) ( segid " A" and resid 213 and name HG1%) ASSI { 3116} ( segid " A" and resid 240 and name HD2%) ( segid " A" and resid 216 and name HG2%) 6.000 4.500 0.000 peak 3116 spectrum 1 weight 0.10000E+01 volume 0.72709E-02 ppm1 0.083 ppm2 0.375 CV 1 OR { 3116} ( segid " A" and resid 240 and name HD2%) ( segid " A" and resid 213 and name HG1%) ASSI { 3117} ( segid " A" and resid 266 and name HB% ) ( segid " A" and resid 213 and name HG1%) 6.000 4.500 0.000 peak 3117 spectrum 1 weight 0.10000E+01 volume 0.75065E-03 ppm1 1.247 ppm2 0.361 CV 1 ASSI { 3118} ( segid " A" and resid 255 and name HD1%) ( segid " A" and resid 213 and name HG1%) 6.000 4.500 0.000 peak 3118 spectrum 1 weight 0.10000E+01 volume 0.71368E-02 ppm1 -0.126 ppm2 0.359 CV 1 ASSI { 3119} ( segid " A" and resid 211 and name HD1%) ( segid " A" and resid 213 and name HG1%) 6.000 4.500 0.000 peak 3119 spectrum 1 weight 0.10000E+01 volume 0.33490E-02 ppm1 0.739 ppm2 0.349 CV 1 ASSI { 3122} (( segid " A" and resid 157 and name HA )) ( segid " A" and resid 116 and name HG1%) 6.000 4.500 0.000 peak 3122 spectrum 1 weight 0.10000E+01 volume 0.51834E-03 ppm1 5.444 ppm2 0.298 CV 1 ASSI { 3124} (( segid " A" and resid 114 and name HB )) ( segid " A" and resid 116 and name HG1%) 6.000 4.500 0.000 peak 3124 spectrum 1 weight 0.10000E+01 volume 0.73692E-03 ppm1 2.088 ppm2 0.300 CV 1 ASSI { 3126} ( segid " A" and resid 185 and name HG1%) ( segid " A" and resid 116 and name HG1%) 6.000 4.500 0.000 peak 3126 spectrum 1 weight 0.10000E+01 volume 0.10738E-01 ppm1 0.987 ppm2 0.313 CV 1 OR { 3126} ( segid " A" and resid 185 and name HG2%) ( segid " A" and resid 116 and name HG1%) ASSI { 3127} ( segid " A" and resid 169 and name HB% ) ( segid " A" and resid 116 and name HG1%) 6.000 4.500 0.000 peak 3127 spectrum 1 weight 0.10000E+01 volume 0.76546E-03 ppm1 1.349 ppm2 0.296 CV 1 ASSI { 3129} ( segid " A" and resid 133 and name HB% ) (( segid " A" and resid 134 and name HB1 )) 6.000 4.500 0.000 peak 3129 spectrum 1 weight 0.10000E+01 volume 0.13210E-02 ppm1 1.607 ppm2 0.306 CV 1 OR { 3129} ( segid " A" and resid 133 and name HB% ) (( segid " A" and resid 138 and name HG11)) ASSI { 3133} (( segid " A" and resid 134 and name HD1 )) (( segid " A" and resid 134 and name HB1 )) 6.000 4.500 0.000 peak 3133 spectrum 1 weight 0.10000E+01 volume 0.63282E-03 ppm1 3.686 ppm2 0.286 CV 1 ASSI { 3135} (( segid " A" and resid 158 and name HB )) ( segid " A" and resid 116 and name HG1%) 6.000 4.500 0.000 peak 3135 spectrum 1 weight 0.10000E+01 volume 0.69563E-03 ppm1 1.434 ppm2 0.273 CV 1 ASSI { 3140} ( segid " A" and resid 114 and name HG2%) ( segid " A" and resid 116 and name HG1%) 6.000 4.500 0.000 peak 3140 spectrum 1 weight 0.10000E+01 volume 0.44138E-02 ppm1 0.921 ppm2 0.285 CV 1 ASSI { 3142} ( segid " A" and resid 114 and name HG1%) ( segid " A" and resid 116 and name HG1%) 6.000 4.500 0.000 peak 3142 spectrum 1 weight 0.10000E+01 volume 0.50386E-02 ppm1 0.886 ppm2 0.287 CV 1 ASSI { 3143} ( segid " A" and resid 158 and name HG2%) ( segid " A" and resid 116 and name HG1%) 6.000 4.500 0.000 peak 3143 spectrum 1 weight 0.10000E+01 volume 0.70147E-02 ppm1 0.030 ppm2 0.283 CV 1 ASSI { 3144} ( segid " A" and resid 131 and name HB% ) ( segid " A" and resid 116 and name HG1%) 6.000 4.500 0.000 peak 3144 spectrum 1 weight 0.10000E+01 volume 0.76935E-03 ppm1 1.447 ppm2 0.289 CV 1 OR { 3144} ( segid " A" and resid 131 and name HB% ) (( segid " A" and resid 138 and name HG11)) OR { 3144} ( segid " A" and resid 166 and name HB% ) ( segid " A" and resid 116 and name HG1%) ASSI { 3145} ( segid " A" and resid 173 and name HE% ) ( segid " A" and resid 116 and name HG1%) 6.000 4.500 0.000 peak 3145 spectrum 1 weight 0.10000E+01 volume 0.12032E-02 ppm1 1.385 ppm2 0.282 CV 1 OR { 3145} ( segid " A" and resid 173 and name HE% ) (( segid " A" and resid 134 and name HB1 )) ASSI { 3146} ( segid " A" and resid 183 and name HD1%) ( segid " A" and resid 116 and name HG1%) 6.000 4.500 0.000 peak 3146 spectrum 1 weight 0.10000E+01 volume 0.25977E-02 ppm1 0.869 ppm2 0.280 CV 1 ASSI { 3149} (( segid " A" and resid 119 and name HB )) ( segid " A" and resid 119 and name HD1%) 6.000 4.500 0.000 peak 3149 spectrum 1 weight 0.10000E+01 volume 0.10603E-02 ppm1 1.122 ppm2 0.246 CV 1 ASSI { 3151} (( segid " A" and resid 119 and name HG12)) ( segid " A" and resid 119 and name HD1%) 6.000 4.500 0.000 peak 3151 spectrum 1 weight 0.10000E+01 volume 0.10158E-02 ppm1 0.433 ppm2 0.251 CV 1 ASSI { 3152} ( segid " A" and resid 123 and name HD2%) ( segid " A" and resid 119 and name HD1%) 6.000 4.500 0.000 peak 3152 spectrum 1 weight 0.10000E+01 volume 0.86437E-03 ppm1 0.949 ppm2 0.252 CV 1 ASSI { 3153} ( segid " A" and resid 178 and name HD1%) ( segid " A" and resid 116 and name HG1%) 6.000 4.500 0.000 peak 3153 spectrum 1 weight 0.10000E+01 volume 0.19620E-02 ppm1 0.815 ppm2 0.262 CV 1 OR { 3153} ( segid " A" and resid 178 and name HD1%) ( segid " A" and resid 119 and name HD1%) OR { 3153} ( segid " A" and resid 170 and name HD1%) ( segid " A" and resid 116 and name HG1%) ASSI { 3155} ( segid " A" and resid 183 and name HG2%) ( segid " A" and resid 119 and name HD1%) 6.000 4.500 0.000 peak 3155 spectrum 1 weight 0.10000E+01 volume 0.23934E-02 ppm1 0.948 ppm2 0.253 CV 1 ASSI { 3157} ( segid " A" and resid 143 and name HE% ) ( segid " A" and resid 119 and name HD1%) 6.000 4.500 0.000 peak 3157 spectrum 1 weight 0.10000E+01 volume 0.26020E-02 ppm1 1.268 ppm2 0.242 CV 1 ASSI { 3158} ( segid " A" and resid 128 and name HD1%) ( segid " A" and resid 119 and name HD1%) 6.000 4.500 0.000 peak 3158 spectrum 1 weight 0.10000E+01 volume 0.53694E-02 ppm1 0.484 ppm2 0.251 CV 1 ASSI { 3159} (( segid " A" and resid 255 and name HA )) ( segid " A" and resid 255 and name HG2%) 6.000 4.500 0.000 peak 3159 spectrum 1 weight 0.10000E+01 volume 0.19145E-02 ppm1 4.558 ppm2 0.234 CV 1 ASSI { 3160} (( segid " A" and resid 230 and name HA )) ( segid " A" and resid 255 and name HG2%) 6.000 4.500 0.000 peak 3160 spectrum 1 weight 0.10000E+01 volume 0.67704E-03 ppm1 5.047 ppm2 0.220 CV 1 ASSI { 3161} (( segid " A" and resid 226 and name HE1 )) ( segid " A" and resid 255 and name HG2%) 6.000 4.500 0.000 peak 3161 spectrum 1 weight 0.10000E+01 volume 0.91161E-03 ppm1 2.842 ppm2 0.217 CV 1 OR { 3161} (( segid " A" and resid 226 and name HE2 )) ( segid " A" and resid 255 and name HG2%) ASSI { 3163} (( segid " A" and resid 230 and name HG1 )) ( segid " A" and resid 255 and name HG2%) 6.000 4.500 0.000 peak 3163 spectrum 1 weight 0.10000E+01 volume 0.50926E-03 ppm1 2.569 ppm2 0.219 CV 1 OR { 3163} (( segid " A" and resid 230 and name HG2 )) ( segid " A" and resid 255 and name HG2%) ASSI { 3165} (( segid " A" and resid 235 and name HG12)) ( segid " A" and resid 255 and name HG2%) 6.000 4.500 0.000 peak 3165 spectrum 1 weight 0.10000E+01 volume 0.61315E-03 ppm1 1.925 ppm2 0.227 CV 1 ASSI { 3166} (( segid " A" and resid 226 and name HD2 )) ( segid " A" and resid 255 and name HG2%) 6.000 4.500 0.000 peak 3166 spectrum 1 weight 0.10000E+01 volume 0.54050E-03 ppm1 1.651 ppm2 0.225 CV 1 OR { 3166} (( segid " A" and resid 226 and name HD1 )) ( segid " A" and resid 255 and name HG2%) ASSI { 3169} (( segid " A" and resid 238 and name HB2 )) ( segid " A" and resid 255 and name HG2%) 6.000 4.500 0.000 peak 3169 spectrum 1 weight 0.10000E+01 volume 0.57045E-03 ppm1 2.810 ppm2 0.226 CV 1 ASSI { 3170} (( segid " A" and resid 238 and name HB1 )) ( segid " A" and resid 255 and name HG2%) 6.000 4.500 0.000 peak 3170 spectrum 1 weight 0.10000E+01 volume 0.49467E-03 ppm1 2.321 ppm2 0.218 CV 1 ASSI { 3171} (( segid " A" and resid 226 and name HG2 )) ( segid " A" and resid 255 and name HG2%) 6.000 4.500 0.000 peak 3171 spectrum 1 weight 0.10000E+01 volume 0.55510E-03 ppm1 1.344 ppm2 0.223 CV 1 OR { 3171} (( segid " A" and resid 236 and name HG2 )) ( segid " A" and resid 255 and name HG2%) OR { 3171} (( segid " A" and resid 236 and name HG1 )) ( segid " A" and resid 255 and name HG2%) ASSI { 3172} ( segid " A" and resid 235 and name HG2%) ( segid " A" and resid 255 and name HG2%) 6.000 4.500 0.000 peak 3172 spectrum 1 weight 0.10000E+01 volume 0.59034E-02 ppm1 0.572 ppm2 0.217 CV 1 ASSI { 3173} ( segid " A" and resid 211 and name HD1%) ( segid " A" and resid 255 and name HG2%) 6.000 4.500 0.000 peak 3173 spectrum 1 weight 0.10000E+01 volume 0.24993E-02 ppm1 0.737 ppm2 0.215 CV 1 ASSI { 3175} ( segid " A" and resid 255 and name HD1%) ( segid " A" and resid 255 and name HG2%) 6.000 4.500 0.000 peak 3175 spectrum 1 weight 0.10000E+01 volume 0.87043E-02 ppm1 -0.126 ppm2 0.217 CV 1 ASSI { 3176} (( segid " A" and resid 229 and name HA )) ( segid " A" and resid 270 and name HE% ) 6.000 4.500 0.000 peak 3176 spectrum 1 weight 0.10000E+01 volume 0.73595E-03 ppm1 4.163 ppm2 0.189 CV 1 ASSI { 3177} (( segid " A" and resid 257 and name HA )) ( segid " A" and resid 255 and name HG2%) 6.000 4.500 0.000 peak 3177 spectrum 1 weight 0.10000E+01 volume 0.60450E-03 ppm1 4.858 ppm2 0.204 CV 1 ASSI { 3182} ( segid " A" and resid 228 and name HG1%) ( segid " A" and resid 270 and name HE% ) 6.000 4.500 0.000 peak 3182 spectrum 1 weight 0.10000E+01 volume 0.46083E-02 ppm1 0.983 ppm2 0.200 CV 1 ASSI { 3183} ( segid " A" and resid 266 and name HB% ) ( segid " A" and resid 270 and name HE% ) 6.000 4.500 0.000 peak 3183 spectrum 1 weight 0.10000E+01 volume 0.11642E-02 ppm1 1.249 ppm2 0.195 CV 1 ASSI { 3185} (( segid " A" and resid 270 and name HG2 )) ( segid " A" and resid 270 and name HE% ) 6.000 4.500 0.000 peak 3185 spectrum 1 weight 0.10000E+01 volume 0.61315E-03 ppm1 1.962 ppm2 0.173 CV 1 ASSI { 3186} (( segid " A" and resid 270 and name HB2 )) ( segid " A" and resid 270 and name HE% ) 6.000 4.500 0.000 peak 3186 spectrum 1 weight 0.10000E+01 volume 0.55369E-03 ppm1 2.067 ppm2 0.176 CV 1 ASSI { 3187} (( segid " A" and resid 270 and name HB1 )) ( segid " A" and resid 270 and name HE% ) 6.000 4.500 0.000 peak 3187 spectrum 1 weight 0.10000E+01 volume 0.69174E-03 ppm1 1.937 ppm2 0.182 CV 1 ASSI { 3188} ( segid " A" and resid 275 and name HD2%) ( segid " A" and resid 270 and name HE% ) 6.000 4.500 0.000 peak 3188 spectrum 1 weight 0.10000E+01 volume 0.95745E-03 ppm1 0.968 ppm2 0.181 CV 1 ASSI { 3189} ( segid " A" and resid 280 and name HD1%) ( segid " A" and resid 270 and name HE% ) 6.000 4.500 0.000 peak 3189 spectrum 1 weight 0.10000E+01 volume 0.34517E-02 ppm1 1.052 ppm2 0.181 CV 1 ASSI { 3190} ( segid " A" and resid 275 and name HD1%) ( segid " A" and resid 270 and name HE% ) 6.000 4.500 0.000 peak 3190 spectrum 1 weight 0.10000E+01 volume 0.92545E-03 ppm1 1.044 ppm2 0.182 CV 1 ASSI { 3195} (( segid " A" and resid 141 and name HA )) ( segid " A" and resid 158 and name HG1%) 6.000 4.500 0.000 peak 3195 spectrum 1 weight 0.10000E+01 volume 0.10886E-02 ppm1 4.581 ppm2 0.130 CV 1 ASSI { 3196} (( segid " A" and resid 160 and name HA )) ( segid " A" and resid 158 and name HG1%) 6.000 4.500 0.000 peak 3196 spectrum 1 weight 0.10000E+01 volume 0.44538E-03 ppm1 5.116 ppm2 0.118 CV 1 ASSI { 3197} (( segid " A" and resid 138 and name HB )) ( segid " A" and resid 158 and name HG1%) 6.000 4.500 0.000 peak 3197 spectrum 1 weight 0.10000E+01 volume 0.51553E-03 ppm1 1.636 ppm2 0.126 CV 1 ASSI { 3201} (( segid " A" and resid 138 and name HG11)) ( segid " A" and resid 158 and name HG1%) 6.000 4.500 0.000 peak 3201 spectrum 1 weight 0.10000E+01 volume 0.46689E-03 ppm1 0.306 ppm2 0.117 CV 1 ASSI { 3202} (( segid " A" and resid 141 and name HG12)) ( segid " A" and resid 158 and name HG1%) 6.000 4.500 0.000 peak 3202 spectrum 1 weight 0.10000E+01 volume 0.97831E-03 ppm1 1.498 ppm2 0.110 CV 1 ASSI { 3203} (( segid " A" and resid 141 and name HG11)) ( segid " A" and resid 158 and name HG1%) 6.000 4.500 0.000 peak 3203 spectrum 1 weight 0.10000E+01 volume 0.94631E-03 ppm1 0.831 ppm2 0.109 CV 1 ASSI { 3204} ( segid " A" and resid 114 and name HG1%) ( segid " A" and resid 158 and name HG1%) 6.000 4.500 0.000 peak 3204 spectrum 1 weight 0.10000E+01 volume 0.43240E-02 ppm1 0.886 ppm2 0.119 CV 1 ASSI { 3205} ( segid " A" and resid 169 and name HB% ) ( segid " A" and resid 158 and name HG1%) 6.000 4.500 0.000 peak 3205 spectrum 1 weight 0.10000E+01 volume 0.81649E-03 ppm1 1.339 ppm2 0.129 CV 1 ASSI { 3206} ( segid " A" and resid 138 and name HG2%) ( segid " A" and resid 158 and name HG1%) 6.000 4.500 0.000 peak 3206 spectrum 1 weight 0.10000E+01 volume 0.78265E-02 ppm1 0.534 ppm2 0.116 CV 1 OR { 3206} ( segid " A" and resid 128 and name HG2%) ( segid " A" and resid 158 and name HG1%) ASSI { 3207} ( segid " A" and resid 138 and name HD1%) ( segid " A" and resid 158 and name HG1%) 6.000 4.500 0.000 peak 3207 spectrum 1 weight 0.10000E+01 volume 0.58645E-02 ppm1 0.757 ppm2 0.123 CV 1 ASSI { 3211} (( segid " A" and resid 253 and name HA1 )) ( segid " A" and resid 240 and name HD2%) 6.000 4.500 0.000 peak 3211 spectrum 1 weight 0.10000E+01 volume 0.96858E-03 ppm1 4.034 ppm2 0.085 CV 1 ASSI { 3212} (( segid " A" and resid 240 and name HB1 )) ( segid " A" and resid 240 and name HD2%) 6.000 4.500 0.000 peak 3212 spectrum 1 weight 0.10000E+01 volume 0.62882E-03 ppm1 0.780 ppm2 0.090 CV 1 ASSI { 3216} (( segid " A" and resid 225 and name HG12)) ( segid " A" and resid 240 and name HD2%) 6.000 4.500 0.000 peak 3216 spectrum 1 weight 0.10000E+01 volume 0.10603E-02 ppm1 1.524 ppm2 0.085 CV 1 ASSI { 3218} ( segid " A" and resid 240 and name HD1%) ( segid " A" and resid 240 and name HD2%) 6.000 4.500 0.000 peak 3218 spectrum 1 weight 0.10000E+01 volume 0.11459E-01 ppm1 -0.085 ppm2 0.077 CV 1 ASSI { 3220} ( segid " A" and resid 216 and name HG2%) ( segid " A" and resid 240 and name HD2%) 6.000 4.500 0.000 peak 3220 spectrum 1 weight 0.10000E+01 volume 0.58796E-02 ppm1 0.374 ppm2 0.084 CV 1 ASSI { 3221} ( segid " A" and resid 225 and name HG2%) ( segid " A" and resid 240 and name HD2%) 6.000 4.500 0.000 peak 3221 spectrum 1 weight 0.10000E+01 volume 0.41295E-02 ppm1 0.615 ppm2 0.081 CV 1 ASSI { 3222} ( segid " A" and resid 225 and name HD1%) ( segid " A" and resid 240 and name HD2%) 6.000 4.500 0.000 peak 3222 spectrum 1 weight 0.10000E+01 volume 0.23512E-02 ppm1 0.633 ppm2 0.083 CV 1 ASSI { 3224} (( segid " A" and resid 141 and name HA )) ( segid " A" and resid 158 and name HG2%) 6.000 4.500 0.000 peak 3224 spectrum 1 weight 0.10000E+01 volume 0.12302E-02 ppm1 4.581 ppm2 0.043 CV 1 ASSI { 3225} (( segid " A" and resid 257 and name HA )) (( segid " A" and resid 235 and name HG11)) 6.000 4.500 0.000 peak 3225 spectrum 1 weight 0.10000E+01 volume 0.75757E-03 ppm1 4.859 ppm2 0.048 CV 1 ASSI { 3226} (( segid " A" and resid 230 and name HA )) (( segid " A" and resid 235 and name HG11)) 6.000 4.500 0.000 peak 3226 spectrum 1 weight 0.10000E+01 volume 0.51899E-03 ppm1 5.042 ppm2 0.032 CV 1 ASSI { 3228} (( segid " A" and resid 226 and name HE1 )) (( segid " A" and resid 235 and name HG11)) 6.000 4.500 0.000 peak 3228 spectrum 1 weight 0.10000E+01 volume 0.57596E-03 ppm1 2.842 ppm2 0.026 CV 1 OR { 3228} (( segid " A" and resid 226 and name HE2 )) (( segid " A" and resid 235 and name HG11)) ASSI { 3229} (( segid " A" and resid 235 and name HB )) (( segid " A" and resid 235 and name HG11)) 6.000 4.500 0.000 peak 3229 spectrum 1 weight 0.10000E+01 volume 0.10353E-02 ppm1 1.615 ppm2 0.034 CV 1 ASSI { 3230} (( segid " A" and resid 230 and name HG1 )) (( segid " A" and resid 235 and name HG11)) 6.000 4.500 0.000 peak 3230 spectrum 1 weight 0.10000E+01 volume 0.57185E-03 ppm1 2.568 ppm2 0.042 CV 1 OR { 3230} (( segid " A" and resid 230 and name HG2 )) (( segid " A" and resid 235 and name HG11)) ASSI { 3233} (( segid " A" and resid 235 and name HG12)) (( segid " A" and resid 235 and name HG11)) 6.000 4.500 0.000 peak 3233 spectrum 1 weight 0.10000E+01 volume 0.81649E-03 ppm1 1.926 ppm2 0.031 CV 1 ASSI { 3234} (( segid " A" and resid 141 and name HG11)) ( segid " A" and resid 158 and name HG2%) 6.000 4.500 0.000 peak 3234 spectrum 1 weight 0.10000E+01 volume 0.95604E-03 ppm1 0.833 ppm2 0.046 CV 1 ASSI { 3235} ( segid " A" and resid 156 and name HB% ) ( segid " A" and resid 158 and name HG2%) 6.000 4.500 0.000 peak 3235 spectrum 1 weight 0.10000E+01 volume 0.18399E-02 ppm1 0.839 ppm2 0.037 CV 1 ASSI { 3236} ( segid " A" and resid 114 and name HG2%) ( segid " A" and resid 158 and name HG2%) 6.000 4.500 0.000 peak 3236 spectrum 1 weight 0.10000E+01 volume 0.12183E-02 ppm1 0.919 ppm2 0.040 CV 1 ASSI { 3237} ( segid " A" and resid 185 and name HG1%) ( segid " A" and resid 158 and name HG2%) 6.000 4.500 0.000 peak 3237 spectrum 1 weight 0.10000E+01 volume 0.99637E-03 ppm1 0.994 ppm2 0.033 CV 1 ASSI { 3238} ( segid " A" and resid 116 and name HG2%) ( segid " A" and resid 158 and name HG2%) 6.000 4.500 0.000 peak 3238 spectrum 1 weight 0.10000E+01 volume 0.13934E-02 ppm1 0.713 ppm2 0.048 CV 1 ASSI { 3240} ( segid " A" and resid 114 and name HG1%) ( segid " A" and resid 158 and name HG2%) 6.000 4.500 0.000 peak 3240 spectrum 1 weight 0.10000E+01 volume 0.42192E-02 ppm1 0.886 ppm2 0.042 CV 1 ASSI { 3242} ( segid " A" and resid 141 and name HG2%) ( segid " A" and resid 158 and name HG2%) 6.000 4.500 0.000 peak 3242 spectrum 1 weight 0.10000E+01 volume 0.47802E-02 ppm1 0.593 ppm2 0.034 CV 1 ASSI { 3244} ( segid " A" and resid 141 and name HD1%) ( segid " A" and resid 158 and name HG2%) 6.000 4.500 0.000 peak 3244 spectrum 1 weight 0.10000E+01 volume 0.46689E-02 ppm1 0.742 ppm2 0.041 CV 1 ASSI { 3245} ( segid " A" and resid 128 and name HD1%) ( segid " A" and resid 158 and name HG2%) 6.000 4.500 0.000 peak 3245 spectrum 1 weight 0.10000E+01 volume 0.11891E-02 ppm1 0.483 ppm2 0.032 CV 1 ASSI { 3253} (( segid " A" and resid 221 and name HB1 )) ( segid " A" and resid 240 and name HD1%) 6.000 4.500 0.000 peak 3253 spectrum 1 weight 0.10000E+01 volume 0.67401E-03 ppm1 3.947 ppm2 -0.091 CV 1 ASSI { 3255} (( segid " A" and resid 240 and name HB1 )) ( segid " A" and resid 240 and name HD1%) 6.000 4.500 0.000 peak 3255 spectrum 1 weight 0.10000E+01 volume 0.99496E-03 ppm1 0.760 ppm2 -0.087 CV 1 ASSI { 3258} (( segid " A" and resid 225 and name HG12)) ( segid " A" and resid 240 and name HD1%) 6.000 4.500 0.000 peak 3258 spectrum 1 weight 0.10000E+01 volume 0.96296E-03 ppm1 1.515 ppm2 -0.094 CV 1 ASSI { 3259} (( segid " A" and resid 225 and name HG11)) ( segid " A" and resid 240 and name HD1%) 6.000 4.500 0.000 peak 3259 spectrum 1 weight 0.10000E+01 volume 0.15523E-02 ppm1 1.044 ppm2 -0.102 CV 1 ASSI { 3260} ( segid " A" and resid 225 and name HD1%) ( segid " A" and resid 240 and name HD1%) 6.000 4.500 0.000 peak 3260 spectrum 1 weight 0.10000E+01 volume 0.24442E-02 ppm1 0.633 ppm2 -0.100 CV 1 ASSI { 3265} (( segid " A" and resid 213 and name HB )) ( segid " A" and resid 255 and name HD1%) 6.000 4.500 0.000 peak 3265 spectrum 1 weight 0.10000E+01 volume 0.10325E-02 ppm1 1.221 ppm2 -0.129 CV 1 ASSI { 3266} (( segid " A" and resid 255 and name HG12)) ( segid " A" and resid 255 and name HD1%) 6.000 4.500 0.000 peak 3266 spectrum 1 weight 0.10000E+01 volume 0.14756E-02 ppm1 0.564 ppm2 -0.125 CV 1 ASSI { 3268} ( segid " A" and resid 282 and name HG2%) ( segid " A" and resid 255 and name HD1%) 6.000 4.500 0.000 peak 3268 spectrum 1 weight 0.10000E+01 volume 0.11740E-02 ppm1 0.994 ppm2 -0.123 CV 1 OR { 3268} ( segid " A" and resid 282 and name HG1%) ( segid " A" and resid 255 and name HD1%) ASSI { 3270} ( segid " A" and resid 213 and name HG2%) ( segid " A" and resid 255 and name HD1%) 6.000 4.500 0.000 peak 3270 spectrum 1 weight 0.10000E+01 volume 0.59974E-02 ppm1 0.405 ppm2 -0.126 CV 1 ASSI { 3271} ( segid " A" and resid 266 and name HB% ) ( segid " A" and resid 255 and name HD1%) 6.000 4.500 0.000 peak 3271 spectrum 1 weight 0.10000E+01 volume 0.74968E-03 ppm1 1.250 ppm2 -0.118 CV 1 ASSI { 3272} ( segid " A" and resid 211 and name HG2%) ( segid " A" and resid 255 and name HD1%) 6.000 4.500 0.000 peak 3272 spectrum 1 weight 0.10000E+01 volume 0.75065E-03 ppm1 0.958 ppm2 -0.128 CV 1 ASSI { 3275} ( segid " A" and resid 211 and name HD1%) ( segid " A" and resid 255 and name HD1%) 6.000 4.500 0.000 peak 3275 spectrum 1 weight 0.10000E+01 volume 0.35403E-02 ppm1 0.736 ppm2 -0.126 CV 1 ASSI { 3276} ( segid " A" and resid 235 and name HD1%) ( segid " A" and resid 255 and name HD1%) 6.000 4.500 0.000 peak 3276 spectrum 1 weight 0.10000E+01 volume 0.29674E-02 ppm1 0.677 ppm2 -0.126 CV 1 ASSI { 3279} (( segid " A" and resid 223 and name HB1 )) (( segid " A" and resid 223 and name HA )) 6.000 4.500 0.000 peak 3279 spectrum 1 weight 0.10000E+01 volume 0.39349E-02 ppm1 2.597 ppm2 4.360 CV 1 ASSI { 3280} (( segid " A" and resid 226 and name HG2 )) (( segid " A" and resid 226 and name HE2 )) 6.000 4.500 0.000 peak 3280 spectrum 1 weight 0.10000E+01 volume 0.17058E-02 ppm1 1.332 ppm2 2.837 CV 1 OR { 3280} (( segid " A" and resid 226 and name HG2 )) (( segid " A" and resid 226 and name HE1 )) ASSI { 3287} (( segid " A" and resid 273 and name HA )) (( segid " A" and resid 273 and name HB2 )) 6.000 4.500 0.000 peak 3287 spectrum 1 weight 0.10000E+01 volume 0.20042E-02 ppm1 4.289 ppm2 2.964 CV 1 ASSI { 3292} (( segid " A" and resid 218 and name HG2 )) (( segid " A" and resid 218 and name HB1 )) 6.000 4.500 0.000 peak 3292 spectrum 1 weight 0.10000E+01 volume 0.92156E-02 ppm1 2.107 ppm2 1.849 CV 1 ASSI { 3293} (( segid " A" and resid 218 and name HG1 )) (( segid " A" and resid 218 and name HB1 )) 6.000 4.500 0.000 peak 3293 spectrum 1 weight 0.10000E+01 volume 0.81595E-02 ppm1 2.205 ppm2 1.849 CV 1 ASSI { 3294} ( segid " A" and resid 211 and name HD1%) (( segid " A" and resid 211 and name HG11)) 6.000 4.500 0.000 peak 3294 spectrum 1 weight 0.10000E+01 volume 0.13177E-01 ppm1 0.734 ppm2 1.009 CV 1 ASSI { 3304} (( segid " A" and resid 201 and name HB2 )) ( segid " A" and resid 201 and name HD2%) 6.000 4.500 0.000 peak 3304 spectrum 1 weight 0.10000E+01 volume 0.22182E-02 ppm1 2.133 ppm2 0.799 CV 1 ASSI { 3305} (( segid " A" and resid 206 and name HD2 )) (( segid " A" and resid 206 and name HG1 )) 6.000 4.500 0.000 peak 3305 spectrum 1 weight 0.10000E+01 volume 0.29263E-01 ppm1 3.265 ppm2 1.988 CV 1 OR { 3305} (( segid " A" and resid 206 and name HD1 )) (( segid " A" and resid 206 and name HG1 )) ASSI { 3307} (( segid " A" and resid 108 and name HB1 )) ( segid " A" and resid 108 and name HD2%) 6.000 4.500 0.000 peak 3307 spectrum 1 weight 0.10000E+01 volume 0.67055E-02 ppm1 1.794 ppm2 0.827 CV 1 ASSI { 3308} (( segid " A" and resid 108 and name HB2 )) ( segid " A" and resid 108 and name HD2%) 6.000 4.500 0.000 peak 3308 spectrum 1 weight 0.10000E+01 volume 0.65401E-02 ppm1 1.476 ppm2 0.837 CV 1 ASSI { 3311} (( segid " A" and resid 123 and name HB1 )) ( segid " A" and resid 123 and name HD2%) 6.000 4.500 0.000 peak 3311 spectrum 1 weight 0.10000E+01 volume 0.28614E-02 ppm1 1.375 ppm2 0.937 CV 1 ASSI { 3312} (( segid " A" and resid 123 and name HB2 )) ( segid " A" and resid 123 and name HD1%) 6.000 4.500 0.000 peak 3312 spectrum 1 weight 0.10000E+01 volume 0.23869E-02 ppm1 1.931 ppm2 0.936 CV 1 ASSI { 3316} (( segid " A" and resid 128 and name HG12)) ( segid " A" and resid 128 and name HG2%) 6.000 4.500 0.000 peak 3316 spectrum 1 weight 0.10000E+01 volume 0.45305E-02 ppm1 1.204 ppm2 0.499 CV 1 OR { 3316} (( segid " A" and resid 128 and name HG11)) ( segid " A" and resid 128 and name HG2%) ASSI { 3317} (( segid " A" and resid 129 and name HA )) (( segid " A" and resid 129 and name HB2 )) 6.000 4.500 0.000 peak 3317 spectrum 1 weight 0.10000E+01 volume 0.31133E-02 ppm1 3.654 ppm2 1.923 CV 1 ASSI { 3319} (( segid " A" and resid 130 and name HB1 )) (( segid " A" and resid 130 and name HA )) 6.000 4.500 0.000 peak 3319 spectrum 1 weight 0.10000E+01 volume 0.13361E-01 ppm1 2.166 ppm2 4.051 CV 1 OR { 3319} (( segid " A" and resid 130 and name HB2 )) (( segid " A" and resid 130 and name HA )) ASSI { 3320} ( segid " A" and resid 131 and name HB% ) (( segid " A" and resid 131 and name HA )) 6.000 4.500 0.000 peak 3320 spectrum 1 weight 0.10000E+01 volume 0.20442E-01 ppm1 1.448 ppm2 4.189 CV 1 ASSI { 3322} (( segid " A" and resid 139 and name HB2 )) (( segid " A" and resid 139 and name HA )) 6.000 4.500 0.000 peak 3322 spectrum 1 weight 0.10000E+01 volume 0.28539E-02 ppm1 1.524 ppm2 4.311 CV 1 ASSI { 3326} (( segid " A" and resid 161 and name HA )) (( segid " A" and resid 161 and name HG1 )) 6.000 4.500 0.000 peak 3326 spectrum 1 weight 0.10000E+01 volume 0.62331E-02 ppm1 4.197 ppm2 2.235 CV 1 OR { 3326} (( segid " A" and resid 161 and name HA )) (( segid " A" and resid 161 and name HG2 )) ASSI { 3328} (( segid " A" and resid 172 and name HB2 )) (( segid " A" and resid 172 and name HG1 )) 6.000 4.500 0.000 peak 3328 spectrum 1 weight 0.10000E+01 volume 0.48970E-02 ppm1 1.739 ppm2 2.378 CV 1 ASSI { 3336} (( segid " A" and resid 166 and name HA )) (( segid " A" and resid 166 and name HN )) 6.000 4.500 0.000 peak 3336 spectrum 1 weight 0.10000E+01 volume 0.14204E-02 ppm1 3.633 ppm2 5.922 CV 1 ASSI { 3337} (( segid " A" and resid 177 and name HA )) (( segid " A" and resid 177 and name HG1 )) 6.000 4.500 0.000 peak 3337 spectrum 1 weight 0.10000E+01 volume 0.24874E-02 ppm1 4.578 ppm2 2.281 CV 1 ASSI { 3339} (( segid " A" and resid 201 and name HG )) ( segid " A" and resid 201 and name HD2%) 6.000 4.500 0.000 peak 3339 spectrum 1 weight 0.10000E+01 volume 0.88491E-02 ppm1 1.867 ppm2 0.810 CV 1 ASSI { 3340} ( segid " A" and resid 211 and name HG2%) (( segid " A" and resid 211 and name HB )) 6.000 4.500 0.000 peak 3340 spectrum 1 weight 0.10000E+01 volume 0.12399E-01 ppm1 0.950 ppm2 2.007 CV 1 ASSI { 3342} (( segid " A" and resid 224 and name HB2 )) (( segid " A" and resid 224 and name HA )) 6.000 4.500 0.000 peak 3342 spectrum 1 weight 0.10000E+01 volume 0.97410E-03 ppm1 2.511 ppm2 4.370 CV 1 ASSI { 3344} (( segid " A" and resid 233 and name HA2 )) (( segid " A" and resid 233 and name HA1 )) 6.000 4.500 0.000 peak 3344 spectrum 1 weight 0.10000E+01 volume 0.46473E-02 ppm1 3.884 ppm2 4.515 CV 1 ASSI { 3347} (( segid " A" and resid 265 and name HA )) (( segid " A" and resid 268 and name HB2 )) 6.000 4.500 0.000 peak 3347 spectrum 1 weight 0.10000E+01 volume 0.37911E-02 ppm1 4.243 ppm2 3.937 CV 1 ASSI { 3349} (( segid " A" and resid 269 and name HA )) (( segid " A" and resid 269 and name HB1 )) 6.000 4.500 0.000 peak 3349 spectrum 1 weight 0.10000E+01 volume 0.35911E-02 ppm1 4.559 ppm2 3.692 CV 1 ASSI { 3350} (( segid " A" and resid 272 and name HG )) (( segid " A" and resid 272 and name HA )) 6.000 4.500 0.000 peak 3350 spectrum 1 weight 0.10000E+01 volume 0.17847E-02 ppm1 1.513 ppm2 3.861 CV 1 ASSI { 3352} (( segid " A" and resid 280 and name HA )) (( segid " A" and resid 280 and name HG )) 6.000 4.500 0.000 peak 3352 spectrum 1 weight 0.10000E+01 volume 0.11340E-02 ppm1 4.479 ppm2 2.259 CV 1 ASSI { 3353} (( segid " A" and resid 213 and name HB )) ( segid " A" and resid 225 and name HG2%) 6.000 4.500 0.000 peak 3353 spectrum 1 weight 0.10000E+01 volume 0.10574E-02 ppm1 1.215 ppm2 0.615 CV 1 ASSI { 3355} (( segid " A" and resid 251 and name HA1 )) (( segid " A" and resid 249 and name HE1 )) 6.000 4.500 0.000 peak 3355 spectrum 1 weight 0.10000E+01 volume 0.78308E-03 ppm1 4.126 ppm2 7.413 CV 1 ASSI { 3356} (( segid " A" and resid 251 and name HA2 )) (( segid " A" and resid 249 and name HE1 )) 6.000 4.500 0.000 peak 3356 spectrum 1 weight 0.10000E+01 volume 0.75465E-03 ppm1 4.326 ppm2 7.413 CV 1 ASSI { 3358} (( segid " A" and resid 170 and name HA )) ( segid " A" and resid 170 and name HD2%) 6.000 4.500 0.000 peak 3358 spectrum 1 weight 0.10000E+01 volume 0.43575E-02 ppm1 3.734 ppm2 0.791 CV 1 ASSI { 3367} (( segid " A" and resid 118 and name HA )) (( segid " A" and resid 118 and name HB2 )) 6.000 4.500 0.000 peak 3367 spectrum 1 weight 0.10000E+01 volume 0.13675E-02 ppm1 3.988 ppm2 4.332 CV 1 ASSI { 3370} (( segid " A" and resid 112 and name HB2 )) (( segid " A" and resid 159 and name HG2 )) 6.000 4.500 0.000 peak 3370 spectrum 1 weight 0.10000E+01 volume 0.81551E-03 ppm1 3.061 ppm2 2.035 CV 1 OR { 3370} (( segid " A" and resid 112 and name HB2 )) (( segid " A" and resid 159 and name HG1 )) ASSI { 3372} ( segid " A" and resid 128 and name HG2%) (( segid " A" and resid 132 and name HA )) 6.000 4.500 0.000 peak 3372 spectrum 1 weight 0.10000E+01 volume 0.13329E-02 ppm1 0.539 ppm2 4.754 CV 1 OR { 3372} ( segid " A" and resid 128 and name HG2%) (( segid " A" and resid 156 and name HA )) ASSI { 3373} (( segid " A" and resid 258 and name HA )) (( segid " A" and resid 236 and name HE1 )) 6.000 4.500 0.000 peak 3373 spectrum 1 weight 0.10000E+01 volume 0.13794E-02 ppm1 4.080 ppm2 2.962 CV 1 OR { 3373} (( segid " A" and resid 258 and name HA )) (( segid " A" and resid 236 and name HE2 )) ASSI { 3374} (( segid " A" and resid 258 and name HG1 )) (( segid " A" and resid 236 and name HE1 )) 6.000 4.500 0.000 peak 3374 spectrum 1 weight 0.10000E+01 volume 0.19512E-02 ppm1 2.210 ppm2 2.970 CV 1 OR { 3374} (( segid " A" and resid 258 and name HG1 )) (( segid " A" and resid 236 and name HE2 )) OR { 3374} (( segid " A" and resid 171 and name HG1 )) (( segid " A" and resid 174 and name HB2 )) OR { 3374} (( segid " A" and resid 256 and name HG1 )) (( segid " A" and resid 236 and name HE1 )) ASSI { 3375} (( segid " A" and resid 258 and name HG2 )) (( segid " A" and resid 236 and name HE1 )) 6.000 4.500 0.000 peak 3375 spectrum 1 weight 0.10000E+01 volume 0.14345E-02 ppm1 2.116 ppm2 2.970 CV 1 OR { 3375} (( segid " A" and resid 258 and name HG2 )) (( segid " A" and resid 236 and name HE2 )) ASSI { 3376} (( segid " A" and resid 156 and name HA )) (( segid " A" and resid 143 and name HG2 )) 6.000 4.500 0.000 peak 3376 spectrum 1 weight 0.10000E+01 volume 0.54818E-03 ppm1 4.762 ppm2 2.232 CV 1 ASSI { 3377} (( segid " A" and resid 197 and name HA )) (( segid " A" and resid 200 and name HB1 )) 6.000 4.500 0.000 peak 3377 spectrum 1 weight 0.10000E+01 volume 0.26096E-02 ppm1 3.880 ppm2 2.259 CV 1 ASSI { 3379} (( segid " A" and resid 287 and name HA )) (( segid " A" and resid 288 and name HB2 )) 6.000 4.500 0.000 peak 3379 spectrum 1 weight 0.10000E+01 volume 0.93659E-03 ppm1 4.651 ppm2 1.875 CV 1 ASSI { 3380} ( segid " A" and resid 285 and name HB% ) ( segid " A" and resid 254 and name HE% ) 6.000 4.500 0.000 peak 3380 spectrum 1 weight 0.10000E+01 volume 0.37857E-02 ppm1 1.510 ppm2 7.333 CV 1 ASSI { 2} ( segid " A" and resid 157 and name HD% ) (( segid " A" and resid 158 and name HN )) 6.000 4.500 0.000 peak 2 spectrum 1 weight 0.10000E+01 volume 0.61778E-03 ppm1 7.222 ppm2 8.929 CV 1 OR { 2} ( segid " A" and resid 157 and name HD% ) (( segid " A" and resid 142 and name HN )) ASSI { 3} ( segid " A" and resid 252 and name HD% ) (( segid " A" and resid 253 and name HN )) 6.000 4.500 0.000 peak 3 spectrum 1 weight 0.10000E+01 volume 0.72142E-03 ppm1 6.842 ppm2 8.813 CV 1 ASSI { 4} ( segid " A" and resid 254 and name HD% ) (( segid " A" and resid 255 and name HN )) 6.000 4.500 0.000 peak 4 spectrum 1 weight 0.10000E+01 volume 0.73048E-03 ppm1 7.288 ppm2 8.813 CV 1 OR { 4} ( segid " A" and resid 254 and name HD% ) (( segid " A" and resid 253 and name HN )) ASSI { 5} ( segid " A" and resid 229 and name HD% ) (( segid " A" and resid 229 and name HN )) 6.000 4.500 0.000 peak 5 spectrum 1 weight 0.10000E+01 volume 0.21801E-02 ppm1 7.708 ppm2 8.364 CV 1 ASSI { 6} ( segid " A" and resid 132 and name HE% ) ( segid " A" and resid 132 and name HD% ) 6.000 4.500 0.000 peak 6 spectrum 1 weight 0.10000E+01 volume 0.22317E-02 ppm1 6.901 ppm2 7.990 CV 1 ASSI { 7} ( segid " A" and resid 229 and name HE% ) ( segid " A" and resid 229 and name HD% ) 6.000 4.500 0.000 peak 7 spectrum 1 weight 0.10000E+01 volume 0.37230E-02 ppm1 6.795 ppm2 7.709 CV 1 ASSI { 8} ( segid " A" and resid 254 and name HD% ) (( segid " A" and resid 213 and name HN )) 6.000 4.500 0.000 peak 8 spectrum 1 weight 0.10000E+01 volume 0.56800E-03 ppm1 7.294 ppm2 7.649 CV 1 ASSI { 9} (( segid " A" and resid 145 and name HH2 )) (( segid " A" and resid 145 and name HZ2 )) 6.000 4.500 0.000 peak 9 spectrum 1 weight 0.10000E+01 volume 0.56347E-02 ppm1 7.220 ppm2 7.473 CV 1 ASSI { 10} (( segid " A" and resid 249 and name HD2 )) (( segid " A" and resid 249 and name HE1 )) 6.000 4.500 0.000 peak 10 spectrum 1 weight 0.10000E+01 volume 0.74586E-03 ppm1 7.096 ppm2 7.456 CV 1 ASSI { 11} ( segid " A" and resid 115 and name HD% ) ( segid " A" and resid 157 and name HE% ) 6.000 4.500 0.000 peak 11 spectrum 1 weight 0.10000E+01 volume 0.18714E-02 ppm1 6.414 ppm2 7.388 CV 1 ASSI { 12} ( segid " A" and resid 155 and name HD% ) ( segid " A" and resid 155 and name HE% ) 6.000 4.500 0.000 peak 12 spectrum 1 weight 0.10000E+01 volume 0.66123E-02 ppm1 6.839 ppm2 7.394 CV 1 ASSI { 13} ( segid " A" and resid 157 and name HD% ) ( segid " A" and resid 157 and name HE% ) 6.000 4.500 0.000 peak 13 spectrum 1 weight 0.10000E+01 volume 0.80651E-02 ppm1 7.222 ppm2 7.404 CV 1 ASSI { 14} ( segid " A" and resid 232 and name HE% ) ( segid " A" and resid 232 and name HD% ) 6.000 4.500 0.000 peak 14 spectrum 1 weight 0.10000E+01 volume 0.19746E-02 ppm1 7.078 ppm2 7.382 CV 1 ASSI { 15} (( segid " A" and resid 135 and name HZ )) ( segid " A" and resid 135 and name HE% ) 6.000 4.500 0.000 peak 15 spectrum 1 weight 0.10000E+01 volume 0.29961E-02 ppm1 7.145 ppm2 7.381 CV 1 ASSI { 16} ( segid " A" and resid 115 and name HE% ) ( segid " A" and resid 157 and name HE% ) 6.000 4.500 0.000 peak 16 spectrum 1 weight 0.10000E+01 volume 0.17017E-02 ppm1 6.256 ppm2 7.393 CV 1 ASSI { 17} (( segid " A" and resid 145 and name HZ3 )) (( segid " A" and resid 145 and name HE3 )) 6.000 4.500 0.000 peak 17 spectrum 1 weight 0.10000E+01 volume 0.28798E-02 ppm1 7.110 ppm2 7.368 CV 1 ASSI { 18} ( segid " A" and resid 252 and name HE% ) ( segid " A" and resid 254 and name HE% ) 6.000 4.500 0.000 peak 18 spectrum 1 weight 0.10000E+01 volume 0.14342E-02 ppm1 6.834 ppm2 7.366 CV 1 ASSI { 20} ( segid " A" and resid 132 and name HD% ) ( segid " A" and resid 135 and name HD% ) 6.000 4.500 0.000 peak 20 spectrum 1 weight 0.10000E+01 volume 0.59334E-03 ppm1 7.993 ppm2 7.334 CV 1 ASSI { 21} ( segid " A" and resid 115 and name HD% ) ( segid " A" and resid 157 and name HD% ) 6.000 4.500 0.000 peak 21 spectrum 1 weight 0.10000E+01 volume 0.71056E-03 ppm1 6.414 ppm2 7.227 CV 1 ASSI { 23} (( segid " A" and resid 145 and name HZ3 )) (( segid " A" and resid 145 and name HH2 )) 6.000 4.500 0.000 peak 23 spectrum 1 weight 0.10000E+01 volume 0.40520E-02 ppm1 7.111 ppm2 7.212 CV 1 ASSI { 25} ( segid " A" and resid 273 and name HE% ) ( segid " A" and resid 273 and name HD% ) 6.000 4.500 0.000 peak 25 spectrum 1 weight 0.10000E+01 volume 0.46254E-02 ppm1 6.955 ppm2 7.201 CV 1 ASSI { 26} ( segid " A" and resid 252 and name HD% ) (( segid " A" and resid 252 and name HN )) 6.000 4.500 0.000 peak 26 spectrum 1 weight 0.10000E+01 volume 0.92916E-03 ppm1 6.838 ppm2 7.142 CV 1 ASSI { 28} ( segid " A" and resid 120 and name HE% ) ( segid " A" and resid 120 and name HD% ) 6.000 4.500 0.000 peak 28 spectrum 1 weight 0.10000E+01 volume 0.18411E-01 ppm1 6.880 ppm2 7.115 CV 1 ASSI { 29} ( segid " A" and resid 121 and name HD% ) ( segid " A" and resid 120 and name HD% ) 6.000 4.500 0.000 peak 29 spectrum 1 weight 0.10000E+01 volume 0.26544E-02 ppm1 6.819 ppm2 7.108 CV 1 ASSI { 31} ( segid " A" and resid 279 and name HE% ) ( segid " A" and resid 279 and name HD% ) 6.000 4.500 0.000 peak 31 spectrum 1 weight 0.10000E+01 volume 0.67707E-01 ppm1 6.787 ppm2 7.013 CV 1 ASSI { 32} ( segid " A" and resid 257 and name HE% ) ( segid " A" and resid 257 and name HD% ) 6.000 4.500 0.000 peak 32 spectrum 1 weight 0.10000E+01 volume 0.11577E-02 ppm1 6.686 ppm2 6.990 CV 1 ASSI { 35} (( segid " A" and resid 145 and name HH2 )) (( segid " A" and resid 152 and name HD2 )) 6.000 4.500 0.000 peak 35 spectrum 1 weight 0.10000E+01 volume 0.49287E-03 ppm1 7.211 ppm2 6.898 CV 1 ASSI { 37} (( segid " A" and resid 145 and name HZ3 )) (( segid " A" and resid 152 and name HD2 )) 6.000 4.500 0.000 peak 37 spectrum 1 weight 0.10000E+01 volume 0.64675E-03 ppm1 7.117 ppm2 6.889 CV 1 ASSI { 38} ( segid " A" and resid 212 and name HE% ) ( segid " A" and resid 252 and name HD% ) 6.000 4.500 0.000 peak 38 spectrum 1 weight 0.10000E+01 volume 0.67798E-03 ppm1 6.593 ppm2 6.847 CV 1 ASSI { 39} ( segid " A" and resid 115 and name HD% ) ( segid " A" and resid 155 and name HD% ) 6.000 4.500 0.000 peak 39 spectrum 1 weight 0.10000E+01 volume 0.10591E-02 ppm1 6.411 ppm2 6.835 CV 1 ASSI { 40} ( segid " A" and resid 254 and name HD% ) ( segid " A" and resid 252 and name HD% ) 6.000 4.500 0.000 peak 40 spectrum 1 weight 0.10000E+01 volume 0.67707E-03 ppm1 7.281 ppm2 6.838 CV 1 ASSI { 42} (( segid " A" and resid 165 and name HN )) ( segid " A" and resid 160 and name HD% ) 6.000 4.500 0.000 peak 42 spectrum 1 weight 0.10000E+01 volume 0.95632E-03 ppm1 6.335 ppm2 6.835 CV 1 OR { 42} (( segid " A" and resid 165 and name HN )) ( segid " A" and resid 252 and name HD% ) OR { 42} (( segid " A" and resid 165 and name HN )) ( segid " A" and resid 252 and name HE% ) ASSI { 43} ( segid " A" and resid 115 and name HE% ) ( segid " A" and resid 155 and name HD% ) 6.000 4.500 0.000 peak 43 spectrum 1 weight 0.10000E+01 volume 0.22942E-02 ppm1 6.256 ppm2 6.832 CV 1 ASSI { 48} (( segid " A" and resid 165 and name HN )) ( segid " A" and resid 212 and name HE% ) 6.000 4.500 0.000 peak 48 spectrum 1 weight 0.10000E+01 volume 0.10477E-02 ppm1 6.340 ppm2 6.594 CV 1 ASSI { 49} ( segid " A" and resid 135 and name HD% ) (( segid " A" and resid 135 and name HN )) 6.000 4.500 0.000 peak 49 spectrum 1 weight 0.10000E+01 volume 0.81873E-03 ppm1 7.304 ppm2 6.570 CV 1 ASSI { 50} (( segid " A" and resid 165 and name HN )) ( segid " A" and resid 212 and name HD% ) 6.000 4.500 0.000 peak 50 spectrum 1 weight 0.10000E+01 volume 0.69608E-03 ppm1 6.337 ppm2 6.489 CV 1 ASSI { 51} ( segid " A" and resid 115 and name HE% ) ( segid " A" and resid 115 and name HD% ) 6.000 4.500 0.000 peak 51 spectrum 1 weight 0.10000E+01 volume 0.16415E-01 ppm1 6.256 ppm2 6.415 CV 1 ASSI { 52} ( segid " A" and resid 160 and name HD% ) ( segid " A" and resid 160 and name HE% ) 6.000 4.500 0.000 peak 52 spectrum 1 weight 0.10000E+01 volume 0.73862E-03 ppm1 6.829 ppm2 6.377 CV 1 ASSI { 53} ( segid " A" and resid 252 and name HD% ) (( segid " A" and resid 165 and name HN )) 6.000 4.500 0.000 peak 53 spectrum 1 weight 0.10000E+01 volume 0.15741E-02 ppm1 6.840 ppm2 6.345 CV 1 ASSI { 54} ( segid " A" and resid 252 and name HE% ) (( segid " A" and resid 165 and name HN )) 6.000 4.500 0.000 peak 54 spectrum 1 weight 0.10000E+01 volume 0.46526E-03 ppm1 6.836 ppm2 6.345 CV 1 ASSI { 57} ( segid " A" and resid 155 and name HD% ) ( segid " A" and resid 115 and name HE% ) 6.000 4.500 0.000 peak 57 spectrum 1 weight 0.10000E+01 volume 0.12215E-02 ppm1 6.836 ppm2 6.260 CV 1 ASSI { 59} ( segid " A" and resid 254 and name HD% ) (( segid " A" and resid 254 and name HA )) 6.000 4.500 0.000 peak 59 spectrum 1 weight 0.10000E+01 volume 0.13596E-02 ppm1 7.289 ppm2 5.767 CV 1 ASSI { 60} ( segid " A" and resid 252 and name HD% ) (( segid " A" and resid 252 and name HA )) 6.000 4.500 0.000 peak 60 spectrum 1 weight 0.10000E+01 volume 0.74496E-03 ppm1 6.845 ppm2 5.656 CV 1 ASSI { 62} ( segid " A" and resid 155 and name HD% ) (( segid " A" and resid 155 and name HA )) 6.000 4.500 0.000 peak 62 spectrum 1 weight 0.10000E+01 volume 0.10346E-02 ppm1 6.840 ppm2 5.573 CV 1 ASSI { 63} ( segid " A" and resid 115 and name HD% ) (( segid " A" and resid 157 and name HA )) 6.000 4.500 0.000 peak 63 spectrum 1 weight 0.10000E+01 volume 0.46073E-03 ppm1 6.419 ppm2 5.494 CV 1 ASSI { 64} ( segid " A" and resid 157 and name HD% ) (( segid " A" and resid 157 and name HA )) 6.000 4.500 0.000 peak 64 spectrum 1 weight 0.10000E+01 volume 0.69336E-03 ppm1 7.217 ppm2 5.482 CV 1 ASSI { 65} (( segid " A" and resid 249 and name HD2 )) (( segid " A" and resid 249 and name HA )) 6.000 4.500 0.000 peak 65 spectrum 1 weight 0.10000E+01 volume 0.81104E-03 ppm1 7.100 ppm2 5.410 CV 1 ASSI { 66} ( segid " A" and resid 115 and name HD% ) (( segid " A" and resid 185 and name HA )) 6.000 4.500 0.000 peak 66 spectrum 1 weight 0.10000E+01 volume 0.47522E-03 ppm1 6.414 ppm2 5.389 CV 1 ASSI { 67} ( segid " A" and resid 252 and name HD% ) (( segid " A" and resid 214 and name HA )) 6.000 4.500 0.000 peak 67 spectrum 1 weight 0.10000E+01 volume 0.12559E-02 ppm1 6.829 ppm2 5.145 CV 1 ASSI { 68} ( segid " A" and resid 160 and name HD% ) (( segid " A" and resid 160 and name HA )) 6.000 4.500 0.000 peak 68 spectrum 1 weight 0.10000E+01 volume 0.91513E-03 ppm1 6.826 ppm2 5.145 CV 1 ASSI { 69} (( segid " A" and resid 145 and name HE3 )) (( segid " A" and resid 152 and name HA )) 6.000 4.500 0.000 peak 69 spectrum 1 weight 0.10000E+01 volume 0.65218E-03 ppm1 7.363 ppm2 5.045 CV 1 ASSI { 70} (( segid " A" and resid 152 and name HD2 )) (( segid " A" and resid 152 and name HA )) 6.000 4.500 0.000 peak 70 spectrum 1 weight 0.10000E+01 volume 0.64403E-03 ppm1 6.893 ppm2 5.040 CV 1 ASSI { 71} ( segid " A" and resid 273 and name HD% ) (( segid " A" and resid 270 and name HA )) 6.000 4.500 0.000 peak 71 spectrum 1 weight 0.10000E+01 volume 0.73048E-03 ppm1 7.207 ppm2 4.975 CV 1 ASSI { 72} ( segid " A" and resid 257 and name HD% ) (( segid " A" and resid 257 and name HA )) 6.000 4.500 0.000 peak 72 spectrum 1 weight 0.10000E+01 volume 0.94093E-03 ppm1 6.990 ppm2 4.891 CV 1 ASSI { 73} ( segid " A" and resid 279 and name HD% ) (( segid " A" and resid 279 and name HA )) 6.000 4.500 0.000 peak 73 spectrum 1 weight 0.10000E+01 volume 0.42267E-02 ppm1 7.013 ppm2 4.847 CV 1 ASSI { 74} ( segid " A" and resid 279 and name HE% ) (( segid " A" and resid 279 and name HA )) 6.000 4.500 0.000 peak 74 spectrum 1 weight 0.10000E+01 volume 0.21674E-02 ppm1 6.787 ppm2 4.843 CV 1 ASSI { 76} ( segid " A" and resid 115 and name HD% ) (( segid " A" and resid 117 and name HA1 )) 6.000 4.500 0.000 peak 76 spectrum 1 weight 0.10000E+01 volume 0.52229E-03 ppm1 6.416 ppm2 4.801 CV 1 ASSI { 77} ( segid " A" and resid 155 and name HD% ) (( segid " A" and resid 117 and name HA1 )) 6.000 4.500 0.000 peak 77 spectrum 1 weight 0.10000E+01 volume 0.10758E-02 ppm1 6.841 ppm2 4.807 CV 1 OR { 77} ( segid " A" and resid 155 and name HD% ) (( segid " A" and resid 156 and name HA )) ASSI { 78} (( segid " A" and resid 249 and name HD2 )) (( segid " A" and resid 221 and name HA )) 6.000 4.500 0.000 peak 78 spectrum 1 weight 0.10000E+01 volume 0.14813E-02 ppm1 7.098 ppm2 4.792 CV 1 ASSI { 79} ( segid " A" and resid 115 and name HE% ) (( segid " A" and resid 117 and name HA1 )) 6.000 4.500 0.000 peak 79 spectrum 1 weight 0.10000E+01 volume 0.94455E-03 ppm1 6.258 ppm2 4.813 CV 1 ASSI { 80} (( segid " A" and resid 217 and name HE1 )) (( segid " A" and resid 219 and name HA )) 6.000 4.500 0.000 peak 80 spectrum 1 weight 0.10000E+01 volume 0.63045E-03 ppm1 7.809 ppm2 4.779 CV 1 ASSI { 81} ( segid " A" and resid 132 and name HD% ) (( segid " A" and resid 132 and name HA )) 6.000 4.500 0.000 peak 81 spectrum 1 weight 0.10000E+01 volume 0.11378E-02 ppm1 7.985 ppm2 4.777 CV 1 ASSI { 82} ( segid " A" and resid 135 and name HE% ) (( segid " A" and resid 132 and name HA )) 6.000 4.500 0.000 peak 82 spectrum 1 weight 0.10000E+01 volume 0.10219E-02 ppm1 7.386 ppm2 4.778 CV 1 OR { 82} ( segid " A" and resid 254 and name HE% ) (( segid " A" and resid 285 and name HA )) ASSI { 83} ( segid " A" and resid 135 and name HD% ) (( segid " A" and resid 132 and name HA )) 6.000 4.500 0.000 peak 83 spectrum 1 weight 0.10000E+01 volume 0.88933E-03 ppm1 7.300 ppm2 4.775 CV 1 ASSI { 84} ( segid " A" and resid 254 and name HD% ) (( segid " A" and resid 212 and name HA )) 6.000 4.500 0.000 peak 84 spectrum 1 weight 0.10000E+01 volume 0.73500E-03 ppm1 7.283 ppm2 4.747 CV 1 ASSI { 85} (( segid " A" and resid 145 and name HD1 )) (( segid " A" and resid 145 and name HA )) 6.000 4.500 0.000 peak 85 spectrum 1 weight 0.10000E+01 volume 0.11541E-02 ppm1 7.148 ppm2 4.627 CV 1 ASSI { 86} (( segid " A" and resid 145 and name HZ3 )) (( segid " A" and resid 151 and name HA )) 6.000 4.500 0.000 peak 86 spectrum 1 weight 0.10000E+01 volume 0.12052E-02 ppm1 7.110 ppm2 4.623 CV 1 ASSI { 87} (( segid " A" and resid 145 and name HE3 )) (( segid " A" and resid 145 and name HA )) 6.000 4.500 0.000 peak 87 spectrum 1 weight 0.10000E+01 volume 0.22186E-02 ppm1 7.373 ppm2 4.628 CV 1 OR { 87} (( segid " A" and resid 145 and name HE3 )) (( segid " A" and resid 151 and name HA )) ASSI { 89} (( segid " A" and resid 145 and name HH2 )) (( segid " A" and resid 124 and name HA2 )) 6.000 4.500 0.000 peak 89 spectrum 1 weight 0.10000E+01 volume 0.74767E-03 ppm1 7.215 ppm2 4.551 CV 1 ASSI { 90} (( segid " A" and resid 145 and name HZ2 )) (( segid " A" and resid 124 and name HA2 )) 6.000 4.500 0.000 peak 90 spectrum 1 weight 0.10000E+01 volume 0.49604E-03 ppm1 7.475 ppm2 4.558 CV 1 ASSI { 91} ( segid " A" and resid 115 and name HD% ) (( segid " A" and resid 115 and name HA )) 6.000 4.500 0.000 peak 91 spectrum 1 weight 0.10000E+01 volume 0.21054E-02 ppm1 6.416 ppm2 4.513 CV 1 ASSI { 93} ( segid " A" and resid 208 and name HD% ) (( segid " A" and resid 208 and name HA )) 6.000 4.500 0.000 peak 93 spectrum 1 weight 0.10000E+01 volume 0.14795E-02 ppm1 7.426 ppm2 4.512 CV 1 ASSI { 94} ( segid " A" and resid 208 and name HE% ) (( segid " A" and resid 208 and name HA )) 6.000 4.500 0.000 peak 94 spectrum 1 weight 0.10000E+01 volume 0.15379E-02 ppm1 7.399 ppm2 4.517 CV 1 ASSI { 95} (( segid " A" and resid 145 and name HD1 )) (( segid " A" and resid 144 and name HA )) 6.000 4.500 0.000 peak 95 spectrum 1 weight 0.10000E+01 volume 0.52636E-03 ppm1 7.152 ppm2 4.503 CV 1 ASSI { 96} ( segid " A" and resid 115 and name HE% ) (( segid " A" and resid 115 and name HA )) 6.000 4.500 0.000 peak 96 spectrum 1 weight 0.10000E+01 volume 0.76532E-03 ppm1 6.256 ppm2 4.516 CV 1 ASSI { 97} ( segid " A" and resid 157 and name HD% ) (( segid " A" and resid 115 and name HA )) 6.000 4.500 0.000 peak 97 spectrum 1 weight 0.10000E+01 volume 0.87032E-03 ppm1 7.225 ppm2 4.489 CV 1 ASSI { 98} (( segid " A" and resid 135 and name HZ )) (( segid " A" and resid 215 and name HB1 )) 6.000 4.500 0.000 peak 98 spectrum 1 weight 0.10000E+01 volume 0.50192E-03 ppm1 7.144 ppm2 4.489 CV 1 OR { 98} (( segid " A" and resid 135 and name HZ )) (( segid " A" and resid 172 and name HA )) OR { 98} (( segid " A" and resid 135 and name HZ )) (( segid " A" and resid 280 and name HA )) ASSI { 99} ( segid " A" and resid 120 and name HD% ) (( segid " A" and resid 120 and name HA )) 6.000 4.500 0.000 peak 99 spectrum 1 weight 0.10000E+01 volume 0.30871E-02 ppm1 7.115 ppm2 4.458 CV 1 ASSI { 100} ( segid " A" and resid 120 and name HE% ) (( segid " A" and resid 120 and name HA )) 6.000 4.500 0.000 peak 100 spectrum 1 weight 0.10000E+01 volume 0.18149E-02 ppm1 6.880 ppm2 4.455 CV 1 ASSI { 101} ( segid " A" and resid 121 and name HD% ) (( segid " A" and resid 120 and name HA )) 6.000 4.500 0.000 peak 101 spectrum 1 weight 0.10000E+01 volume 0.12016E-02 ppm1 6.815 ppm2 4.431 CV 1 OR { 101} ( segid " A" and resid 155 and name HD% ) (( segid " A" and resid 143 and name HA )) ASSI { 104} (( segid " A" and resid 249 and name HE1 )) (( segid " A" and resid 251 and name HA2 )) 6.000 4.500 0.000 peak 104 spectrum 1 weight 0.10000E+01 volume 0.21597E-02 ppm1 7.458 ppm2 4.341 CV 1 ASSI { 105} ( segid " A" and resid 279 and name HD% ) (( segid " A" and resid 274 and name HA )) 6.000 4.500 0.000 peak 105 spectrum 1 weight 0.10000E+01 volume 0.51052E-02 ppm1 7.013 ppm2 4.344 CV 1 ASSI { 106} ( segid " A" and resid 279 and name HE% ) (( segid " A" and resid 274 and name HA )) 6.000 4.500 0.000 peak 106 spectrum 1 weight 0.10000E+01 volume 0.40982E-02 ppm1 6.787 ppm2 4.344 CV 1 ASSI { 107} ( segid " A" and resid 273 and name HD% ) (( segid " A" and resid 273 and name HA )) 6.000 4.500 0.000 peak 107 spectrum 1 weight 0.10000E+01 volume 0.15777E-02 ppm1 7.202 ppm2 4.325 CV 1 ASSI { 108} ( segid " A" and resid 232 and name HE% ) (( segid " A" and resid 232 and name HA )) 6.000 4.500 0.000 peak 108 spectrum 1 weight 0.10000E+01 volume 0.66078E-03 ppm1 7.088 ppm2 4.280 CV 1 ASSI { 109} ( segid " A" and resid 232 and name HD% ) (( segid " A" and resid 232 and name HA )) 6.000 4.500 0.000 peak 109 spectrum 1 weight 0.10000E+01 volume 0.17171E-02 ppm1 7.384 ppm2 4.268 CV 1 ASSI { 111} ( segid " A" and resid 229 and name HD% ) (( segid " A" and resid 229 and name HA )) 6.000 4.500 0.000 peak 111 spectrum 1 weight 0.10000E+01 volume 0.12668E-02 ppm1 7.706 ppm2 4.211 CV 1 ASSI { 112} (( segid " A" and resid 249 and name HE1 )) (( segid " A" and resid 251 and name HA1 )) 6.000 4.500 0.000 peak 112 spectrum 1 weight 0.10000E+01 volume 0.25635E-02 ppm1 7.459 ppm2 4.165 CV 1 ASSI { 113} ( segid " A" and resid 121 and name HD% ) (( segid " A" and resid 122 and name HA )) 6.000 4.500 0.000 peak 113 spectrum 1 weight 0.10000E+01 volume 0.16786E-02 ppm1 6.823 ppm2 4.168 CV 1 ASSI { 114} ( segid " A" and resid 120 and name HE% ) (( segid " A" and resid 122 and name HA )) 6.000 4.500 0.000 peak 114 spectrum 1 weight 0.10000E+01 volume 0.85856E-03 ppm1 6.873 ppm2 4.159 CV 1 ASSI { 115} ( segid " A" and resid 121 and name HE% ) (( segid " A" and resid 122 and name HA )) 6.000 4.500 0.000 peak 115 spectrum 1 weight 0.10000E+01 volume 0.12668E-02 ppm1 6.805 ppm2 4.158 CV 1 ASSI { 116} ( segid " A" and resid 252 and name HE% ) (( segid " A" and resid 136 and name HA2 )) 6.000 4.500 0.000 peak 116 spectrum 1 weight 0.10000E+01 volume 0.59696E-03 ppm1 6.837 ppm2 4.129 CV 1 ASSI { 117} ( segid " A" and resid 257 and name HD% ) (( segid " A" and resid 235 and name HA )) 6.000 4.500 0.000 peak 117 spectrum 1 weight 0.10000E+01 volume 0.75673E-03 ppm1 6.996 ppm2 4.072 CV 1 ASSI { 119} ( segid " A" and resid 135 and name HE% ) (( segid " A" and resid 134 and name HA )) 6.000 4.500 0.000 peak 119 spectrum 1 weight 0.10000E+01 volume 0.12252E-02 ppm1 7.386 ppm2 4.050 CV 1 ASSI { 120} ( segid " A" and resid 252 and name HE% ) (( segid " A" and resid 253 and name HA1 )) 6.000 4.500 0.000 peak 120 spectrum 1 weight 0.10000E+01 volume 0.66983E-03 ppm1 6.838 ppm2 4.047 CV 1 OR { 120} ( segid " A" and resid 252 and name HE% ) (( segid " A" and resid 134 and name HA )) ASSI { 121} (( segid " A" and resid 249 and name HD2 )) (( segid " A" and resid 221 and name HB1 )) 6.000 4.500 0.000 peak 121 spectrum 1 weight 0.10000E+01 volume 0.45938E-03 ppm1 7.095 ppm2 3.974 CV 1 ASSI { 122} ( segid " A" and resid 252 and name HD% ) (( segid " A" and resid 136 and name HA1 )) 6.000 4.500 0.000 peak 122 spectrum 1 weight 0.10000E+01 volume 0.74134E-03 ppm1 6.833 ppm2 3.950 CV 1 ASSI { 123} ( segid " A" and resid 279 and name HD% ) (( segid " A" and resid 272 and name HA )) 6.000 4.500 0.000 peak 123 spectrum 1 weight 0.10000E+01 volume 0.19258E-02 ppm1 7.010 ppm2 3.916 CV 1 ASSI { 124} (( segid " A" and resid 145 and name HH2 )) (( segid " A" and resid 150 and name HA )) 6.000 4.500 0.000 peak 124 spectrum 1 weight 0.10000E+01 volume 0.92282E-03 ppm1 7.219 ppm2 3.931 CV 1 OR { 124} (( segid " A" and resid 145 and name HH2 )) (( segid " A" and resid 124 and name HA1 )) ASSI { 125} ( segid " A" and resid 279 and name HE% ) (( segid " A" and resid 272 and name HA )) 6.000 4.500 0.000 peak 125 spectrum 1 weight 0.10000E+01 volume 0.12324E-02 ppm1 6.788 ppm2 3.921 CV 1 ASSI { 126} (( segid " A" and resid 145 and name HZ2 )) (( segid " A" and resid 124 and name HA1 )) 6.000 4.500 0.000 peak 126 spectrum 1 weight 0.10000E+01 volume 0.14415E-02 ppm1 7.476 ppm2 3.923 CV 1 OR { 126} (( segid " A" and resid 145 and name HZ2 )) (( segid " A" and resid 150 and name HA )) ASSI { 127} ( segid " A" and resid 208 and name HD% ) (( segid " A" and resid 205 and name HA )) 6.000 4.500 0.000 peak 127 spectrum 1 weight 0.10000E+01 volume 0.17379E-02 ppm1 7.424 ppm2 3.896 CV 1 ASSI { 129} ( segid " A" and resid 135 and name HD% ) (( segid " A" and resid 135 and name HA )) 6.000 4.500 0.000 peak 129 spectrum 1 weight 0.10000E+01 volume 0.95632E-03 ppm1 7.310 ppm2 3.898 CV 1 ASSI { 130} (( segid " A" and resid 217 and name HD2 )) (( segid " A" and resid 217 and name HA )) 6.000 4.500 0.000 peak 130 spectrum 1 weight 0.10000E+01 volume 0.15863E-02 ppm1 7.068 ppm2 3.911 CV 1 ASSI { 131} ( segid " A" and resid 229 and name HD% ) (( segid " A" and resid 225 and name HA )) 6.000 4.500 0.000 peak 131 spectrum 1 weight 0.10000E+01 volume 0.68431E-03 ppm1 7.701 ppm2 3.865 CV 1 ASSI { 133} ( segid " A" and resid 257 and name HD% ) (( segid " A" and resid 263 and name HB1 )) 6.000 4.500 0.000 peak 133 spectrum 1 weight 0.10000E+01 volume 0.12976E-02 ppm1 6.984 ppm2 3.801 CV 1 OR { 133} ( segid " A" and resid 257 and name HD% ) (( segid " A" and resid 263 and name HB2 )) ASSI { 134} ( segid " A" and resid 132 and name HD% ) (( segid " A" and resid 128 and name HA )) 6.000 4.500 0.000 peak 134 spectrum 1 weight 0.10000E+01 volume 0.15650E-02 ppm1 7.991 ppm2 3.747 CV 1 OR { 134} ( segid " A" and resid 132 and name HD% ) (( segid " A" and resid 134 and name HD1 )) ASSI { 135} ( segid " A" and resid 229 and name HD% ) (( segid " A" and resid 226 and name HA )) 6.000 4.500 0.000 peak 135 spectrum 1 weight 0.10000E+01 volume 0.53451E-03 ppm1 7.691 ppm2 3.698 CV 1 ASSI { 136} ( segid " A" and resid 135 and name HE% ) (( segid " A" and resid 134 and name HD1 )) 6.000 4.500 0.000 peak 136 spectrum 1 weight 0.10000E+01 volume 0.90608E-03 ppm1 7.392 ppm2 3.714 CV 1 ASSI { 137} ( segid " A" and resid 257 and name HE% ) (( segid " A" and resid 263 and name HA )) 6.000 4.500 0.000 peak 137 spectrum 1 weight 0.10000E+01 volume 0.61688E-03 ppm1 6.679 ppm2 3.714 CV 1 ASSI { 138} ( segid " A" and resid 135 and name HE% ) (( segid " A" and resid 165 and name HA )) 6.000 4.500 0.000 peak 138 spectrum 1 weight 0.10000E+01 volume 0.70875E-03 ppm1 7.380 ppm2 3.680 CV 1 OR { 138} ( segid " A" and resid 232 and name HD% ) (( segid " A" and resid 263 and name HA )) OR { 138} ( segid " A" and resid 135 and name HE% ) (( segid " A" and resid 166 and name HA )) OR { 138} ( segid " A" and resid 254 and name HE% ) (( segid " A" and resid 165 and name HA )) ASSI { 139} (( segid " A" and resid 217 and name HD2 )) (( segid " A" and resid 276 and name HA2 )) 6.000 4.500 0.000 peak 139 spectrum 1 weight 0.10000E+01 volume 0.11360E-02 ppm1 7.066 ppm2 3.636 CV 1 ASSI { 140} (( segid " A" and resid 249 and name HE1 )) (( segid " A" and resid 218 and name HA )) 6.000 4.500 0.000 peak 140 spectrum 1 weight 0.10000E+01 volume 0.24942E-02 ppm1 7.458 ppm2 3.662 CV 1 ASSI { 141} ( segid " A" and resid 121 and name HD% ) (( segid " A" and resid 121 and name HA )) 6.000 4.500 0.000 peak 141 spectrum 1 weight 0.10000E+01 volume 0.29527E-02 ppm1 6.819 ppm2 3.663 CV 1 ASSI { 142} (( segid " A" and resid 249 and name HD2 )) (( segid " A" and resid 218 and name HA )) 6.000 4.500 0.000 peak 142 spectrum 1 weight 0.10000E+01 volume 0.53315E-03 ppm1 7.103 ppm2 3.659 CV 1 ASSI { 143} ( segid " A" and resid 121 and name HE% ) (( segid " A" and resid 121 and name HA )) 6.000 4.500 0.000 peak 143 spectrum 1 weight 0.10000E+01 volume 0.90246E-03 ppm1 6.810 ppm2 3.665 CV 1 ASSI { 146} ( segid " A" and resid 257 and name HD% ) (( segid " A" and resid 257 and name HB2 )) 6.000 4.500 0.000 peak 146 spectrum 1 weight 0.10000E+01 volume 0.14175E-02 ppm1 6.987 ppm2 3.598 CV 1 ASSI { 147} ( segid " A" and resid 115 and name HD% ) (( segid " A" and resid 117 and name HA2 )) 6.000 4.500 0.000 peak 147 spectrum 1 weight 0.10000E+01 volume 0.49739E-03 ppm1 6.417 ppm2 3.557 CV 1 ASSI { 148} ( segid " A" and resid 132 and name HD% ) (( segid " A" and resid 132 and name HB2 )) 6.000 4.500 0.000 peak 148 spectrum 1 weight 0.10000E+01 volume 0.19588E-02 ppm1 7.989 ppm2 3.562 CV 1 ASSI { 149} ( segid " A" and resid 232 and name HE% ) (( segid " A" and resid 269 and name HB2 )) 6.000 4.500 0.000 peak 149 spectrum 1 weight 0.10000E+01 volume 0.56619E-03 ppm1 7.088 ppm2 3.551 CV 1 ASSI { 150} ( segid " A" and resid 115 and name HE% ) (( segid " A" and resid 117 and name HA2 )) 6.000 4.500 0.000 peak 150 spectrum 1 weight 0.10000E+01 volume 0.12559E-02 ppm1 6.255 ppm2 3.556 CV 1 ASSI { 151} ( segid " A" and resid 155 and name HD% ) (( segid " A" and resid 117 and name HA2 )) 6.000 4.500 0.000 peak 151 spectrum 1 weight 0.10000E+01 volume 0.99976E-03 ppm1 6.830 ppm2 3.547 CV 1 OR { 151} ( segid " A" and resid 160 and name HD% ) (( segid " A" and resid 132 and name HB2 )) ASSI { 152} ( segid " A" and resid 132 and name HE% ) (( segid " A" and resid 132 and name HB2 )) 6.000 4.500 0.000 peak 152 spectrum 1 weight 0.10000E+01 volume 0.50237E-03 ppm1 6.910 ppm2 3.547 CV 1 ASSI { 153} ( segid " A" and resid 252 and name HD% ) (( segid " A" and resid 137 and name HD1 )) 6.000 4.500 0.000 peak 153 spectrum 1 weight 0.10000E+01 volume 0.95089E-03 ppm1 6.852 ppm2 3.519 CV 1 ASSI { 154} ( segid " A" and resid 229 and name HD% ) (( segid " A" and resid 229 and name HB1 )) 6.000 4.500 0.000 peak 154 spectrum 1 weight 0.10000E+01 volume 0.18846E-02 ppm1 7.708 ppm2 3.509 CV 1 ASSI { 155} ( segid " A" and resid 229 and name HE% ) (( segid " A" and resid 229 and name HB1 )) 6.000 4.500 0.000 peak 155 spectrum 1 weight 0.10000E+01 volume 0.65535E-03 ppm1 6.798 ppm2 3.506 CV 1 OR { 155} ( segid " A" and resid 229 and name HE% ) (( segid " A" and resid 267 and name HA )) ASSI { 156} ( segid " A" and resid 232 and name HD% ) (( segid " A" and resid 232 and name HB1 )) 6.000 4.500 0.000 peak 156 spectrum 1 weight 0.10000E+01 volume 0.16710E-02 ppm1 7.379 ppm2 3.484 CV 1 ASSI { 157} ( segid " A" and resid 135 and name HD% ) (( segid " A" and resid 135 and name HB1 )) 6.000 4.500 0.000 peak 157 spectrum 1 weight 0.10000E+01 volume 0.88164E-03 ppm1 7.309 ppm2 3.478 CV 1 ASSI { 159} ( segid " A" and resid 273 and name HD% ) (( segid " A" and resid 273 and name HB1 )) 6.000 4.500 0.000 peak 159 spectrum 1 weight 0.10000E+01 volume 0.15795E-02 ppm1 7.198 ppm2 3.346 CV 1 ASSI { 160} (( segid " A" and resid 249 and name HD2 )) (( segid " A" and resid 249 and name HB1 )) 6.000 4.500 0.000 peak 160 spectrum 1 weight 0.10000E+01 volume 0.13125E-02 ppm1 7.095 ppm2 3.306 CV 1 ASSI { 161} ( segid " A" and resid 252 and name HE% ) (( segid " A" and resid 137 and name HD2 )) 6.000 4.500 0.000 peak 161 spectrum 1 weight 0.10000E+01 volume 0.66892E-03 ppm1 6.830 ppm2 3.224 CV 1 ASSI { 162} ( segid " A" and resid 160 and name HD% ) (( segid " A" and resid 160 and name HB1 )) 6.000 4.500 0.000 peak 162 spectrum 1 weight 0.10000E+01 volume 0.13234E-02 ppm1 6.834 ppm2 3.166 CV 1 ASSI { 163} ( segid " A" and resid 120 and name HD% ) (( segid " A" and resid 120 and name HB2 )) 6.000 4.500 0.000 peak 163 spectrum 1 weight 0.10000E+01 volume 0.19049E-02 ppm1 7.112 ppm2 3.172 CV 1 ASSI { 164} ( segid " A" and resid 120 and name HE% ) (( segid " A" and resid 120 and name HB2 )) 6.000 4.500 0.000 peak 164 spectrum 1 weight 0.10000E+01 volume 0.12360E-02 ppm1 6.879 ppm2 3.169 CV 1 ASSI { 165} ( segid " A" and resid 135 and name HE% ) (( segid " A" and resid 134 and name HD2 )) 6.000 4.500 0.000 peak 165 spectrum 1 weight 0.10000E+01 volume 0.11288E-02 ppm1 7.381 ppm2 3.140 CV 1 OR { 165} ( segid " A" and resid 135 and name HE% ) (( segid " A" and resid 281 and name HD2 )) ASSI { 166} ( segid " A" and resid 135 and name HD% ) (( segid " A" and resid 134 and name HD2 )) 6.000 4.500 0.000 peak 166 spectrum 1 weight 0.10000E+01 volume 0.47657E-03 ppm1 7.320 ppm2 3.126 CV 1 ASSI { 167} (( segid " A" and resid 217 and name HD2 )) (( segid " A" and resid 217 and name HB2 )) 6.000 4.500 0.000 peak 167 spectrum 1 weight 0.10000E+01 volume 0.22652E-02 ppm1 7.066 ppm2 3.100 CV 1 ASSI { 168} ( segid " A" and resid 252 and name HD% ) (( segid " A" and resid 252 and name HB2 )) 6.000 4.500 0.000 peak 168 spectrum 1 weight 0.10000E+01 volume 0.13867E-02 ppm1 6.848 ppm2 3.055 CV 1 ASSI { 169} ( segid " A" and resid 208 and name HD% ) (( segid " A" and resid 208 and name HB1 )) 6.000 4.500 0.000 peak 169 spectrum 1 weight 0.10000E+01 volume 0.17121E-02 ppm1 7.422 ppm2 3.042 CV 1 ASSI { 170} ( segid " A" and resid 120 and name HD% ) (( segid " A" and resid 181 and name HD2 )) 6.000 4.500 0.000 peak 170 spectrum 1 weight 0.10000E+01 volume 0.11613E-02 ppm1 7.115 ppm2 3.044 CV 1 OR { 170} ( segid " A" and resid 120 and name HD% ) (( segid " A" and resid 181 and name HD1 )) ASSI { 171} (( segid " A" and resid 145 and name HD1 )) (( segid " A" and resid 145 and name HB1 )) 6.000 4.500 0.000 peak 171 spectrum 1 weight 0.10000E+01 volume 0.36252E-02 ppm1 7.149 ppm2 3.057 CV 1 ASSI { 172} (( segid " A" and resid 145 and name HE3 )) (( segid " A" and resid 145 and name HB2 )) 6.000 4.500 0.000 peak 172 spectrum 1 weight 0.10000E+01 volume 0.17483E-02 ppm1 7.371 ppm2 3.050 CV 1 OR { 172} (( segid " A" and resid 145 and name HE3 )) (( segid " A" and resid 145 and name HB1 )) ASSI { 173} ( segid " A" and resid 252 and name HE% ) (( segid " A" and resid 252 and name HB2 )) 6.000 4.500 0.000 peak 173 spectrum 1 weight 0.10000E+01 volume 0.85584E-03 ppm1 6.830 ppm2 3.044 CV 1 OR { 173} ( segid " A" and resid 252 and name HE% ) (( segid " A" and resid 250 and name HE1 )) ASSI { 175} ( segid " A" and resid 273 and name HD% ) (( segid " A" and resid 273 and name HB2 )) 6.000 4.500 0.000 peak 175 spectrum 1 weight 0.10000E+01 volume 0.16429E-02 ppm1 7.202 ppm2 2.997 CV 1 ASSI { 176} ( segid " A" and resid 115 and name HE% ) (( segid " A" and resid 155 and name HB1 )) 6.000 4.500 0.000 peak 176 spectrum 1 weight 0.10000E+01 volume 0.17352E-02 ppm1 6.254 ppm2 2.989 CV 1 ASSI { 177} ( segid " A" and resid 115 and name HD% ) (( segid " A" and resid 155 and name HB1 )) 6.000 4.500 0.000 peak 177 spectrum 1 weight 0.10000E+01 volume 0.73319E-03 ppm1 6.414 ppm2 2.963 CV 1 ASSI { 178} ( segid " A" and resid 155 and name HD% ) (( segid " A" and resid 155 and name HB1 )) 6.000 4.500 0.000 peak 178 spectrum 1 weight 0.10000E+01 volume 0.27563E-02 ppm1 6.837 ppm2 2.981 CV 1 ASSI { 180} ( segid " A" and resid 208 and name HD% ) (( segid " A" and resid 208 and name HB2 )) 6.000 4.500 0.000 peak 180 spectrum 1 weight 0.10000E+01 volume 0.20154E-02 ppm1 7.421 ppm2 2.959 CV 1 ASSI { 181} ( segid " A" and resid 157 and name HD% ) (( segid " A" and resid 157 and name HB1 )) 6.000 4.500 0.000 peak 181 spectrum 1 weight 0.10000E+01 volume 0.14469E-02 ppm1 7.225 ppm2 2.947 CV 1 ASSI { 182} ( segid " A" and resid 157 and name HE% ) (( segid " A" and resid 157 and name HB1 )) 6.000 4.500 0.000 peak 182 spectrum 1 weight 0.10000E+01 volume 0.18226E-02 ppm1 7.406 ppm2 2.948 CV 1 OR { 182} ( segid " A" and resid 208 and name HE% ) (( segid " A" and resid 208 and name HB2 )) ASSI { 183} (( segid " A" and resid 217 and name HE1 )) (( segid " A" and resid 219 and name HB2 )) 6.000 4.500 0.000 peak 183 spectrum 1 weight 0.10000E+01 volume 0.17610E-02 ppm1 7.810 ppm2 2.916 CV 1 ASSI { 184} ( segid " A" and resid 257 and name HD% ) (( segid " A" and resid 262 and name HB2 )) 6.000 4.500 0.000 peak 184 spectrum 1 weight 0.10000E+01 volume 0.89431E-03 ppm1 6.979 ppm2 2.867 CV 1 ASSI { 185} ( segid " A" and resid 132 and name HD% ) (( segid " A" and resid 132 and name HB1 )) 6.000 4.500 0.000 peak 185 spectrum 1 weight 0.10000E+01 volume 0.16605E-02 ppm1 7.990 ppm2 2.883 CV 1 ASSI { 186} ( segid " A" and resid 229 and name HE% ) (( segid " A" and resid 229 and name HB2 )) 6.000 4.500 0.000 peak 186 spectrum 1 weight 0.10000E+01 volume 0.55442E-03 ppm1 6.799 ppm2 2.850 CV 1 ASSI { 187} ( segid " A" and resid 121 and name HE% ) (( segid " A" and resid 121 and name HB2 )) 6.000 4.500 0.000 peak 187 spectrum 1 weight 0.10000E+01 volume 0.16352E-02 ppm1 6.805 ppm2 2.842 CV 1 ASSI { 188} ( segid " A" and resid 121 and name HD% ) (( segid " A" and resid 121 and name HB2 )) 6.000 4.500 0.000 peak 188 spectrum 1 weight 0.10000E+01 volume 0.52726E-02 ppm1 6.823 ppm2 2.823 CV 1 ASSI { 189} ( segid " A" and resid 229 and name HD% ) (( segid " A" and resid 229 and name HB2 )) 6.000 4.500 0.000 peak 189 spectrum 1 weight 0.10000E+01 volume 0.16583E-02 ppm1 7.708 ppm2 2.839 CV 1 ASSI { 190} (( segid " A" and resid 217 and name HD2 )) (( segid " A" and resid 217 and name HB1 )) 6.000 4.500 0.000 peak 190 spectrum 1 weight 0.10000E+01 volume 0.16506E-02 ppm1 7.068 ppm2 2.823 CV 1 ASSI { 191} ( segid " A" and resid 115 and name HD% ) (( segid " A" and resid 155 and name HB2 )) 6.000 4.500 0.000 peak 191 spectrum 1 weight 0.10000E+01 volume 0.72957E-03 ppm1 6.416 ppm2 2.782 CV 1 OR { 191} ( segid " A" and resid 115 and name HD% ) (( segid " A" and resid 157 and name HB2 )) ASSI { 192} ( segid " A" and resid 254 and name HD% ) (( segid " A" and resid 254 and name HB2 )) 6.000 4.500 0.000 peak 192 spectrum 1 weight 0.10000E+01 volume 0.32138E-02 ppm1 7.287 ppm2 2.772 CV 1 ASSI { 193} ( segid " A" and resid 120 and name HD% ) (( segid " A" and resid 120 and name HB1 )) 6.000 4.500 0.000 peak 193 spectrum 1 weight 0.10000E+01 volume 0.25562E-02 ppm1 7.115 ppm2 2.781 CV 1 ASSI { 194} ( segid " A" and resid 157 and name HD% ) (( segid " A" and resid 157 and name HB2 )) 6.000 4.500 0.000 peak 194 spectrum 1 weight 0.10000E+01 volume 0.15284E-02 ppm1 7.221 ppm2 2.768 CV 1 ASSI { 195} ( segid " A" and resid 120 and name HE% ) (( segid " A" and resid 120 and name HB1 )) 6.000 4.500 0.000 peak 195 spectrum 1 weight 0.10000E+01 volume 0.14976E-02 ppm1 6.881 ppm2 2.781 CV 1 ASSI { 196} ( segid " A" and resid 115 and name HE% ) (( segid " A" and resid 155 and name HB2 )) 6.000 4.500 0.000 peak 196 spectrum 1 weight 0.10000E+01 volume 0.15248E-02 ppm1 6.257 ppm2 2.782 CV 1 ASSI { 197} (( segid " A" and resid 217 and name HE1 )) (( segid " A" and resid 219 and name HB1 )) 6.000 4.500 0.000 peak 197 spectrum 1 weight 0.10000E+01 volume 0.25159E-02 ppm1 7.807 ppm2 2.745 CV 1 ASSI { 198} ( segid " A" and resid 279 and name HD% ) (( segid " A" and resid 279 and name HB2 )) 6.000 4.500 0.000 peak 198 spectrum 1 weight 0.10000E+01 volume 0.34605E-02 ppm1 7.012 ppm2 2.762 CV 1 ASSI { 199} ( segid " A" and resid 232 and name HD% ) (( segid " A" and resid 232 and name HB2 )) 6.000 4.500 0.000 peak 199 spectrum 1 weight 0.10000E+01 volume 0.28214E-02 ppm1 7.382 ppm2 2.756 CV 1 ASSI { 200} ( segid " A" and resid 232 and name HE% ) (( segid " A" and resid 232 and name HB2 )) 6.000 4.500 0.000 peak 200 spectrum 1 weight 0.10000E+01 volume 0.69608E-03 ppm1 7.085 ppm2 2.754 CV 1 ASSI { 201} ( segid " A" and resid 279 and name HE% ) (( segid " A" and resid 279 and name HB2 )) 6.000 4.500 0.000 peak 201 spectrum 1 weight 0.10000E+01 volume 0.22213E-02 ppm1 6.789 ppm2 2.761 CV 1 OR { 201} ( segid " A" and resid 121 and name HE% ) (( segid " A" and resid 151 and name HE2 )) OR { 201} ( segid " A" and resid 121 and name HE% ) (( segid " A" and resid 151 and name HE1 )) ASSI { 202} ( segid " A" and resid 121 and name HD% ) (( segid " A" and resid 121 and name HB1 )) 6.000 4.500 0.000 peak 202 spectrum 1 weight 0.10000E+01 volume 0.46481E-02 ppm1 6.820 ppm2 2.657 CV 1 ASSI { 204} ( segid " A" and resid 135 and name HD% ) (( segid " A" and resid 135 and name HB2 )) 6.000 4.500 0.000 peak 204 spectrum 1 weight 0.10000E+01 volume 0.86761E-03 ppm1 7.294 ppm2 2.653 CV 1 ASSI { 206} ( segid " A" and resid 121 and name HE% ) (( segid " A" and resid 121 and name HB1 )) 6.000 4.500 0.000 peak 206 spectrum 1 weight 0.10000E+01 volume 0.17406E-02 ppm1 6.802 ppm2 2.661 CV 1 ASSI { 207} (( segid " A" and resid 249 and name HD2 )) (( segid " A" and resid 249 and name HB2 )) 6.000 4.500 0.000 peak 207 spectrum 1 weight 0.10000E+01 volume 0.17072E-02 ppm1 7.096 ppm2 2.614 CV 1 ASSI { 208} ( segid " A" and resid 279 and name HD% ) (( segid " A" and resid 279 and name HB1 )) 6.000 4.500 0.000 peak 208 spectrum 1 weight 0.10000E+01 volume 0.35786E-02 ppm1 7.013 ppm2 2.547 CV 1 ASSI { 209} ( segid " A" and resid 252 and name HD% ) (( segid " A" and resid 250 and name HB2 )) 6.000 4.500 0.000 peak 209 spectrum 1 weight 0.10000E+01 volume 0.84181E-03 ppm1 6.845 ppm2 2.479 CV 1 ASSI { 210} ( segid " A" and resid 279 and name HE% ) (( segid " A" and resid 274 and name HB2 )) 6.000 4.500 0.000 peak 210 spectrum 1 weight 0.10000E+01 volume 0.38307E-02 ppm1 6.787 ppm2 2.495 CV 1 ASSI { 211} ( segid " A" and resid 252 and name HE% ) (( segid " A" and resid 250 and name HB2 )) 6.000 4.500 0.000 peak 211 spectrum 1 weight 0.10000E+01 volume 0.10269E-02 ppm1 6.831 ppm2 2.485 CV 1 ASSI { 212} ( segid " A" and resid 115 and name HE% ) (( segid " A" and resid 115 and name HB1 )) 6.000 4.500 0.000 peak 212 spectrum 1 weight 0.10000E+01 volume 0.12867E-02 ppm1 6.257 ppm2 2.485 CV 1 ASSI { 213} ( segid " A" and resid 115 and name HD% ) (( segid " A" and resid 115 and name HB1 )) 6.000 4.500 0.000 peak 213 spectrum 1 weight 0.10000E+01 volume 0.29305E-02 ppm1 6.421 ppm2 2.497 CV 1 ASSI { 214} ( segid " A" and resid 157 and name HD% ) (( segid " A" and resid 115 and name HB1 )) 6.000 4.500 0.000 peak 214 spectrum 1 weight 0.10000E+01 volume 0.75401E-03 ppm1 7.223 ppm2 2.480 CV 1 ASSI { 215} ( segid " A" and resid 232 and name HD% ) (( segid " A" and resid 266 and name HA )) 6.000 4.500 0.000 peak 215 spectrum 1 weight 0.10000E+01 volume 0.19538E-02 ppm1 7.394 ppm2 2.412 CV 1 OR { 215} ( segid " A" and resid 135 and name HE% ) (( segid " A" and resid 169 and name HA )) ASSI { 216} ( segid " A" and resid 135 and name HD% ) (( segid " A" and resid 169 and name HA )) 6.000 4.500 0.000 peak 216 spectrum 1 weight 0.10000E+01 volume 0.58610E-03 ppm1 7.307 ppm2 2.415 CV 1 ASSI { 217} (( segid " A" and resid 135 and name HZ )) (( segid " A" and resid 172 and name HB1 )) 6.000 4.500 0.000 peak 217 spectrum 1 weight 0.10000E+01 volume 0.96899E-03 ppm1 7.145 ppm2 2.405 CV 1 OR { 217} (( segid " A" and resid 135 and name HZ )) (( segid " A" and resid 169 and name HA )) ASSI { 218} (( segid " A" and resid 145 and name HZ2 )) (( segid " A" and resid 150 and name HB2 )) 6.000 4.500 0.000 peak 218 spectrum 1 weight 0.10000E+01 volume 0.93821E-03 ppm1 7.472 ppm2 2.393 CV 1 ASSI { 220} (( segid " A" and resid 217 and name HD2 )) (( segid " A" and resid 278 and name HG2 )) 6.000 4.500 0.000 peak 220 spectrum 1 weight 0.10000E+01 volume 0.12813E-02 ppm1 7.067 ppm2 2.356 CV 1 ASSI { 222} ( segid " A" and resid 160 and name HD% ) (( segid " A" and resid 137 and name HG1 )) 6.000 4.500 0.000 peak 222 spectrum 1 weight 0.10000E+01 volume 0.84453E-03 ppm1 6.840 ppm2 2.334 CV 1 OR { 222} ( segid " A" and resid 155 and name HD% ) (( segid " A" and resid 143 and name HG1 )) OR { 222} ( segid " A" and resid 160 and name HD% ) (( segid " A" and resid 111 and name HB1 )) ASSI { 224} ( segid " A" and resid 208 and name HE% ) (( segid " A" and resid 204 and name HG1 )) 6.000 4.500 0.000 peak 224 spectrum 1 weight 0.10000E+01 volume 0.17972E-02 ppm1 7.391 ppm2 2.320 CV 1 ASSI { 225} ( segid " A" and resid 252 and name HE% ) (( segid " A" and resid 137 and name HG1 )) 6.000 4.500 0.000 peak 225 spectrum 1 weight 0.10000E+01 volume 0.17198E-02 ppm1 6.836 ppm2 2.325 CV 1 ASSI { 226} ( segid " A" and resid 273 and name HD% ) (( segid " A" and resid 280 and name HB2 )) 6.000 4.500 0.000 peak 226 spectrum 1 weight 0.10000E+01 volume 0.10477E-02 ppm1 7.204 ppm2 2.285 CV 1 OR { 226} ( segid " A" and resid 273 and name HD% ) (( segid " A" and resid 280 and name HG )) ASSI { 228} ( segid " A" and resid 160 and name HD% ) (( segid " A" and resid 161 and name HB2 )) 6.000 4.500 0.000 peak 228 spectrum 1 weight 0.10000E+01 volume 0.95767E-03 ppm1 6.837 ppm2 2.256 CV 1 OR { 228} ( segid " A" and resid 160 and name HD% ) (( segid " A" and resid 137 and name HG2 )) OR { 228} ( segid " A" and resid 160 and name HD% ) (( segid " A" and resid 162 and name HB )) OR { 228} ( segid " A" and resid 160 and name HD% ) (( segid " A" and resid 161 and name HG1 )) OR { 228} ( segid " A" and resid 160 and name HD% ) (( segid " A" and resid 161 and name HG2 )) ASSI { 229} (( segid " A" and resid 145 and name HE3 )) (( segid " A" and resid 150 and name HB1 )) 6.000 4.500 0.000 peak 229 spectrum 1 weight 0.10000E+01 volume 0.67345E-03 ppm1 7.365 ppm2 2.257 CV 1 ASSI { 230} (( segid " A" and resid 217 and name HD2 )) (( segid " A" and resid 278 and name HG1 )) 6.000 4.500 0.000 peak 230 spectrum 1 weight 0.10000E+01 volume 0.19923E-02 ppm1 7.066 ppm2 2.263 CV 1 ASSI { 231} (( segid " A" and resid 217 and name HE1 )) (( segid " A" and resid 218 and name HG1 )) 6.000 4.500 0.000 peak 231 spectrum 1 weight 0.10000E+01 volume 0.80696E-03 ppm1 7.807 ppm2 2.246 CV 1 ASSI { 232} ( segid " A" and resid 279 and name HD% ) (( segid " A" and resid 274 and name HB1 )) 6.000 4.500 0.000 peak 232 spectrum 1 weight 0.10000E+01 volume 0.30034E-02 ppm1 7.013 ppm2 2.240 CV 1 ASSI { 233} ( segid " A" and resid 279 and name HE% ) (( segid " A" and resid 274 and name HB1 )) 6.000 4.500 0.000 peak 233 spectrum 1 weight 0.10000E+01 volume 0.49649E-02 ppm1 6.787 ppm2 2.239 CV 1 ASSI { 234} ( segid " A" and resid 252 and name HE% ) (( segid " A" and resid 137 and name HG2 )) 6.000 4.500 0.000 peak 234 spectrum 1 weight 0.10000E+01 volume 0.17456E-02 ppm1 6.836 ppm2 2.249 CV 1 ASSI { 236} (( segid " A" and resid 145 and name HH2 )) (( segid " A" and resid 150 and name HB1 )) 6.000 4.500 0.000 peak 236 spectrum 1 weight 0.10000E+01 volume 0.76895E-03 ppm1 7.221 ppm2 2.221 CV 1 ASSI { 237} (( segid " A" and resid 145 and name HZ2 )) (( segid " A" and resid 125 and name HB1 )) 6.000 4.500 0.000 peak 237 spectrum 1 weight 0.10000E+01 volume 0.15379E-02 ppm1 7.471 ppm2 2.228 CV 1 OR { 237} (( segid " A" and resid 145 and name HZ2 )) (( segid " A" and resid 125 and name HG2 )) OR { 237} (( segid " A" and resid 145 and name HZ2 )) (( segid " A" and resid 150 and name HB1 )) ASSI { 238} ( segid " A" and resid 208 and name HD% ) (( segid " A" and resid 204 and name HB2 )) 6.000 4.500 0.000 peak 238 spectrum 1 weight 0.10000E+01 volume 0.12414E-02 ppm1 7.420 ppm2 2.193 CV 1 OR { 238} ( segid " A" and resid 208 and name HD% ) (( segid " A" and resid 256 and name HG2 )) OR { 238} ( segid " A" and resid 208 and name HD% ) (( segid " A" and resid 256 and name HB1 )) ASSI { 239} ( segid " A" and resid 120 and name HE% ) (( segid " A" and resid 122 and name HB2 )) 6.000 4.500 0.000 peak 239 spectrum 1 weight 0.10000E+01 volume 0.21131E-02 ppm1 6.879 ppm2 2.184 CV 1 ASSI { 241} ( segid " A" and resid 120 and name HD% ) (( segid " A" and resid 122 and name HB2 )) 6.000 4.500 0.000 peak 241 spectrum 1 weight 0.10000E+01 volume 0.91242E-03 ppm1 7.112 ppm2 2.175 CV 1 ASSI { 242} (( segid " A" and resid 217 and name HD2 )) (( segid " A" and resid 278 and name HB2 )) 6.000 4.500 0.000 peak 242 spectrum 1 weight 0.10000E+01 volume 0.10758E-02 ppm1 7.063 ppm2 2.162 CV 1 ASSI { 243} (( segid " A" and resid 217 and name HE1 )) (( segid " A" and resid 218 and name HG2 )) 6.000 4.500 0.000 peak 243 spectrum 1 weight 0.10000E+01 volume 0.11758E-02 ppm1 7.806 ppm2 2.136 CV 1 ASSI { 244} ( segid " A" and resid 132 and name HE% ) (( segid " A" and resid 173 and name HB2 )) 6.000 4.500 0.000 peak 244 spectrum 1 weight 0.10000E+01 volume 0.58067E-03 ppm1 6.906 ppm2 2.139 CV 1 ASSI { 245} ( segid " A" and resid 273 and name HD% ) (( segid " A" and resid 228 and name HB )) 6.000 4.500 0.000 peak 245 spectrum 1 weight 0.10000E+01 volume 0.82914E-03 ppm1 7.209 ppm2 2.114 CV 1 OR { 245} ( segid " A" and resid 273 and name HD% ) (( segid " A" and resid 270 and name HB2 )) ASSI { 246} ( segid " A" and resid 229 and name HD% ) (( segid " A" and resid 228 and name HB )) 6.000 4.500 0.000 peak 246 spectrum 1 weight 0.10000E+01 volume 0.14723E-02 ppm1 7.705 ppm2 2.108 CV 1 OR { 246} ( segid " A" and resid 229 and name HD% ) (( segid " A" and resid 270 and name HB2 )) ASSI { 247} ( segid " A" and resid 115 and name HD% ) (( segid " A" and resid 114 and name HB )) 6.000 4.500 0.000 peak 247 spectrum 1 weight 0.10000E+01 volume 0.63679E-03 ppm1 6.414 ppm2 2.093 CV 1 ASSI { 250} ( segid " A" and resid 208 and name HE% ) (( segid " A" and resid 288 and name HB1 )) 6.000 4.500 0.000 peak 250 spectrum 1 weight 0.10000E+01 volume 0.11740E-02 ppm1 7.398 ppm2 2.062 CV 1 OR { 250} ( segid " A" and resid 135 and name HE% ) (( segid " A" and resid 134 and name HB2 )) ASSI { 251} (( segid " A" and resid 145 and name HZ2 )) ( segid " A" and resid 150 and name HE% ) 6.000 4.500 0.000 peak 251 spectrum 1 weight 0.10000E+01 volume 0.68612E-03 ppm1 7.477 ppm2 2.023 CV 1 ASSI { 253} ( segid " A" and resid 229 and name HE% ) (( segid " A" and resid 270 and name HG2 )) 6.000 4.500 0.000 peak 253 spectrum 1 weight 0.10000E+01 volume 0.13704E-02 ppm1 6.795 ppm2 1.977 CV 1 ASSI { 254} (( segid " A" and resid 217 and name HD2 )) (( segid " A" and resid 278 and name HB1 )) 6.000 4.500 0.000 peak 254 spectrum 1 weight 0.10000E+01 volume 0.97035E-03 ppm1 7.065 ppm2 1.971 CV 1 ASSI { 255} ( segid " A" and resid 132 and name HD% ) (( segid " A" and resid 173 and name HB1 )) 6.000 4.500 0.000 peak 255 spectrum 1 weight 0.10000E+01 volume 0.72052E-03 ppm1 7.980 ppm2 1.941 CV 1 OR { 255} ( segid " A" and resid 132 and name HD% ) (( segid " A" and resid 138 and name HG12)) OR { 255} ( segid " A" and resid 132 and name HD% ) (( segid " A" and resid 129 and name HB2 )) ASSI { 256} (( segid " A" and resid 229 and name HZ )) (( segid " A" and resid 270 and name HB1 )) 6.000 4.500 0.000 peak 256 spectrum 1 weight 0.10000E+01 volume 0.60058E-03 ppm1 6.891 ppm2 1.953 CV 1 ASSI { 257} ( segid " A" and resid 132 and name HD% ) (( segid " A" and resid 173 and name HB1 )) 6.000 4.500 0.000 peak 257 spectrum 1 weight 0.10000E+01 volume 0.62050E-03 ppm1 7.999 ppm2 1.916 CV 1 OR { 257} ( segid " A" and resid 132 and name HD% ) (( segid " A" and resid 138 and name HG12)) OR { 257} ( segid " A" and resid 132 and name HD% ) (( segid " A" and resid 129 and name HB1 )) ASSI { 258} ( segid " A" and resid 208 and name HE% ) (( segid " A" and resid 288 and name HB2 )) 6.000 4.500 0.000 peak 258 spectrum 1 weight 0.10000E+01 volume 0.26033E-02 ppm1 7.395 ppm2 1.916 CV 1 OR { 258} ( segid " A" and resid 135 and name HE% ) (( segid " A" and resid 173 and name HB1 )) ASSI { 259} ( segid " A" and resid 135 and name HD% ) (( segid " A" and resid 168 and name HG )) 6.000 4.500 0.000 peak 259 spectrum 1 weight 0.10000E+01 volume 0.11251E-02 ppm1 7.300 ppm2 1.924 CV 1 OR { 259} ( segid " A" and resid 135 and name HD% ) (( segid " A" and resid 173 and name HB1 )) ASSI { 260} ( segid " A" and resid 132 and name HE% ) (( segid " A" and resid 173 and name HB1 )) 6.000 4.500 0.000 peak 260 spectrum 1 weight 0.10000E+01 volume 0.97532E-03 ppm1 6.904 ppm2 1.929 CV 1 ASSI { 261} (( segid " A" and resid 135 and name HZ )) (( segid " A" and resid 173 and name HB1 )) 6.000 4.500 0.000 peak 261 spectrum 1 weight 0.10000E+01 volume 0.96129E-03 ppm1 7.144 ppm2 1.935 CV 1 OR { 261} (( segid " A" and resid 135 and name HZ )) (( segid " A" and resid 168 and name HG )) ASSI { 262} (( segid " A" and resid 217 and name HE1 )) (( segid " A" and resid 218 and name HB1 )) 6.000 4.500 0.000 peak 262 spectrum 1 weight 0.10000E+01 volume 0.77981E-03 ppm1 7.811 ppm2 1.891 CV 1 ASSI { 264} (( segid " A" and resid 249 and name HE1 )) (( segid " A" and resid 218 and name HB2 )) 6.000 4.500 0.000 peak 264 spectrum 1 weight 0.10000E+01 volume 0.77619E-03 ppm1 7.463 ppm2 1.842 CV 1 ASSI { 265} ( segid " A" and resid 121 and name HD% ) (( segid " A" and resid 122 and name HG1 )) 6.000 4.500 0.000 peak 265 spectrum 1 weight 0.10000E+01 volume 0.15266E-02 ppm1 6.817 ppm2 1.844 CV 1 ASSI { 266} ( segid " A" and resid 120 and name HD% ) (( segid " A" and resid 123 and name HG )) 6.000 4.500 0.000 peak 266 spectrum 1 weight 0.10000E+01 volume 0.18742E-02 ppm1 7.116 ppm2 1.853 CV 1 OR { 266} ( segid " A" and resid 120 and name HD% ) (( segid " A" and resid 122 and name HG1 )) ASSI { 267} ( segid " A" and resid 120 and name HE% ) (( segid " A" and resid 122 and name HG1 )) 6.000 4.500 0.000 peak 267 spectrum 1 weight 0.10000E+01 volume 0.24471E-02 ppm1 6.880 ppm2 1.841 CV 1 ASSI { 268} ( segid " A" and resid 121 and name HE% ) (( segid " A" and resid 122 and name HG1 )) 6.000 4.500 0.000 peak 268 spectrum 1 weight 0.10000E+01 volume 0.15940E-02 ppm1 6.802 ppm2 1.839 CV 1 ASSI { 269} ( segid " A" and resid 252 and name HE% ) (( segid " A" and resid 250 and name HD2 )) 6.000 4.500 0.000 peak 269 spectrum 1 weight 0.10000E+01 volume 0.10849E-02 ppm1 6.834 ppm2 1.846 CV 1 ASSI { 270} ( segid " A" and resid 135 and name HD% ) (( segid " A" and resid 134 and name HG2 )) 6.000 4.500 0.000 peak 270 spectrum 1 weight 0.10000E+01 volume 0.11794E-02 ppm1 7.306 ppm2 1.797 CV 1 OR { 270} ( segid " A" and resid 135 and name HD% ) (( segid " A" and resid 281 and name HB2 )) OR { 270} ( segid " A" and resid 135 and name HD% ) (( segid " A" and resid 281 and name HB1 )) ASSI { 272} ( segid " A" and resid 115 and name HD% ) (( segid " A" and resid 184 and name HB2 )) 6.000 4.500 0.000 peak 272 spectrum 1 weight 0.10000E+01 volume 0.90246E-03 ppm1 6.416 ppm2 1.769 CV 1 ASSI { 273} ( segid " A" and resid 135 and name HE% ) (( segid " A" and resid 172 and name HB2 )) 6.000 4.500 0.000 peak 273 spectrum 1 weight 0.10000E+01 volume 0.25381E-02 ppm1 7.392 ppm2 1.789 CV 1 OR { 273} ( segid " A" and resid 208 and name HE% ) (( segid " A" and resid 288 and name HG2 )) OR { 273} ( segid " A" and resid 135 and name HE% ) (( segid " A" and resid 134 and name HG2 )) ASSI { 274} (( segid " A" and resid 135 and name HZ )) (( segid " A" and resid 172 and name HB2 )) 6.000 4.500 0.000 peak 274 spectrum 1 weight 0.10000E+01 volume 0.13324E-02 ppm1 7.142 ppm2 1.787 CV 1 OR { 274} (( segid " A" and resid 135 and name HZ )) (( segid " A" and resid 281 and name HB2 )) ASSI { 275} ( segid " A" and resid 252 and name HE% ) (( segid " A" and resid 250 and name HD1 )) 6.000 4.500 0.000 peak 275 spectrum 1 weight 0.10000E+01 volume 0.92690E-03 ppm1 6.835 ppm2 1.783 CV 1 ASSI { 276} ( segid " A" and resid 120 and name HE% ) (( segid " A" and resid 122 and name HG2 )) 6.000 4.500 0.000 peak 276 spectrum 1 weight 0.10000E+01 volume 0.21697E-02 ppm1 6.883 ppm2 1.764 CV 1 ASSI { 277} ( segid " A" and resid 115 and name HE% ) (( segid " A" and resid 184 and name HB2 )) 6.000 4.500 0.000 peak 277 spectrum 1 weight 0.10000E+01 volume 0.18072E-02 ppm1 6.254 ppm2 1.760 CV 1 ASSI { 278} ( segid " A" and resid 121 and name HD% ) (( segid " A" and resid 122 and name HG2 )) 6.000 4.500 0.000 peak 278 spectrum 1 weight 0.10000E+01 volume 0.14867E-02 ppm1 6.818 ppm2 1.725 CV 1 ASSI { 279} (( segid " A" and resid 145 and name HD1 )) (( segid " A" and resid 143 and name HB2 )) 6.000 4.500 0.000 peak 279 spectrum 1 weight 0.10000E+01 volume 0.67164E-03 ppm1 7.152 ppm2 1.670 CV 1 OR { 279} (( segid " A" and resid 145 and name HD1 )) (( segid " A" and resid 143 and name HB1 )) ASSI { 280} ( segid " A" and resid 229 and name HE% ) (( segid " A" and resid 270 and name HG1 )) 6.000 4.500 0.000 peak 280 spectrum 1 weight 0.10000E+01 volume 0.62321E-03 ppm1 6.790 ppm2 1.656 CV 1 ASSI { 281} (( segid " A" and resid 217 and name HD2 )) (( segid " A" and resid 275 and name HG )) 6.000 4.500 0.000 peak 281 spectrum 1 weight 0.10000E+01 volume 0.55125E-03 ppm1 7.066 ppm2 1.622 CV 1 ASSI { 282} ( segid " A" and resid 115 and name HE% ) (( segid " A" and resid 184 and name HB1 )) 6.000 4.500 0.000 peak 282 spectrum 1 weight 0.10000E+01 volume 0.87395E-03 ppm1 6.256 ppm2 1.624 CV 1 ASSI { 283} ( segid " A" and resid 115 and name HD% ) (( segid " A" and resid 184 and name HB1 )) 6.000 4.500 0.000 peak 283 spectrum 1 weight 0.10000E+01 volume 0.55261E-03 ppm1 6.419 ppm2 1.614 CV 1 ASSI { 284} ( segid " A" and resid 273 and name HD% ) (( segid " A" and resid 275 and name HG )) 6.000 4.500 0.000 peak 284 spectrum 1 weight 0.10000E+01 volume 0.68431E-03 ppm1 7.194 ppm2 1.599 CV 1 ASSI { 285} ( segid " A" and resid 120 and name HD% ) (( segid " A" and resid 122 and name HB1 )) 6.000 4.500 0.000 peak 285 spectrum 1 weight 0.10000E+01 volume 0.17918E-02 ppm1 7.116 ppm2 1.574 CV 1 OR { 285} ( segid " A" and resid 120 and name HD% ) (( segid " A" and resid 181 and name HG2 )) ASSI { 286} ( segid " A" and resid 120 and name HE% ) (( segid " A" and resid 122 and name HB1 )) 6.000 4.500 0.000 peak 286 spectrum 1 weight 0.10000E+01 volume 0.37126E-02 ppm1 6.880 ppm2 1.576 CV 1 ASSI { 287} ( segid " A" and resid 279 and name HD% ) (( segid " A" and resid 272 and name HB1 )) 6.000 4.500 0.000 peak 287 spectrum 1 weight 0.10000E+01 volume 0.15669E-02 ppm1 7.012 ppm2 1.561 CV 1 ASSI { 288} ( segid " A" and resid 135 and name HD% ) (( segid " A" and resid 168 and name HB1 )) 6.000 4.500 0.000 peak 288 spectrum 1 weight 0.10000E+01 volume 0.11360E-02 ppm1 7.310 ppm2 1.556 CV 1 ASSI { 289} ( segid " A" and resid 121 and name HE% ) (( segid " A" and resid 122 and name HB1 )) 6.000 4.500 0.000 peak 289 spectrum 1 weight 0.10000E+01 volume 0.12939E-02 ppm1 6.790 ppm2 1.570 CV 1 OR { 289} ( segid " A" and resid 279 and name HE% ) (( segid " A" and resid 272 and name HB1 )) ASSI { 290} ( segid " A" and resid 254 and name HD% ) ( segid " A" and resid 285 and name HB% ) 6.000 4.500 0.000 peak 290 spectrum 1 weight 0.10000E+01 volume 0.17149E-02 ppm1 7.287 ppm2 1.535 CV 1 ASSI { 291} ( segid " A" and resid 254 and name HE% ) ( segid " A" and resid 285 and name HB% ) 6.000 4.500 0.000 peak 291 spectrum 1 weight 0.10000E+01 volume 0.14723E-02 ppm1 7.370 ppm2 1.538 CV 1 ASSI { 294} ( segid " A" and resid 273 and name HD% ) (( segid " A" and resid 275 and name HB1 )) 6.000 4.500 0.000 peak 294 spectrum 1 weight 0.10000E+01 volume 0.17995E-02 ppm1 7.203 ppm2 1.482 CV 1 ASSI { 295} ( segid " A" and resid 160 and name HD% ) ( segid " A" and resid 166 and name HB% ) 6.000 4.500 0.000 peak 295 spectrum 1 weight 0.10000E+01 volume 0.19823E-02 ppm1 6.834 ppm2 1.487 CV 1 ASSI { 296} ( segid " A" and resid 273 and name HE% ) (( segid " A" and resid 275 and name HB1 )) 6.000 4.500 0.000 peak 296 spectrum 1 weight 0.10000E+01 volume 0.27051E-02 ppm1 6.954 ppm2 1.488 CV 1 ASSI { 297} (( segid " A" and resid 249 and name HD2 )) (( segid " A" and resid 240 and name HB2 )) 6.000 4.500 0.000 peak 297 spectrum 1 weight 0.10000E+01 volume 0.50192E-03 ppm1 7.105 ppm2 1.484 CV 1 ASSI { 298} ( segid " A" and resid 115 and name HE% ) (( segid " A" and resid 184 and name HG1 )) 6.000 4.500 0.000 peak 298 spectrum 1 weight 0.10000E+01 volume 0.85358E-03 ppm1 6.256 ppm2 1.474 CV 1 ASSI { 299} ( segid " A" and resid 115 and name HD% ) (( segid " A" and resid 184 and name HG1 )) 6.000 4.500 0.000 peak 299 spectrum 1 weight 0.10000E+01 volume 0.47476E-03 ppm1 6.425 ppm2 1.468 CV 1 ASSI { 300} ( segid " A" and resid 132 and name HD% ) ( segid " A" and resid 131 and name HB% ) 6.000 4.500 0.000 peak 300 spectrum 1 weight 0.10000E+01 volume 0.31450E-02 ppm1 7.991 ppm2 1.467 CV 1 ASSI { 301} ( segid " A" and resid 121 and name HD% ) (( segid " A" and resid 151 and name HB1 )) 6.000 4.500 0.000 peak 301 spectrum 1 weight 0.10000E+01 volume 0.19488E-02 ppm1 6.821 ppm2 1.417 CV 1 OR { 301} ( segid " A" and resid 121 and name HD% ) (( segid " A" and resid 151 and name HD1 )) OR { 301} ( segid " A" and resid 160 and name HD% ) (( segid " A" and resid 139 and name HB1 )) OR { 301} ( segid " A" and resid 160 and name HD% ) (( segid " A" and resid 113 and name HG1 )) ASSI { 302} ( segid " A" and resid 135 and name HE% ) ( segid " A" and resid 173 and name HE% ) 6.000 4.500 0.000 peak 302 spectrum 1 weight 0.10000E+01 volume 0.20362E-02 ppm1 7.390 ppm2 1.417 CV 1 ASSI { 303} (( segid " A" and resid 135 and name HZ )) ( segid " A" and resid 173 and name HE% ) 6.000 4.500 0.000 peak 303 spectrum 1 weight 0.10000E+01 volume 0.79701E-03 ppm1 7.143 ppm2 1.424 CV 1 ASSI { 304} ( segid " A" and resid 132 and name HD% ) ( segid " A" and resid 169 and name HB% ) 6.000 4.500 0.000 peak 304 spectrum 1 weight 0.10000E+01 volume 0.30943E-02 ppm1 7.989 ppm2 1.390 CV 1 OR { 304} ( segid " A" and resid 132 and name HD% ) ( segid " A" and resid 173 and name HE% ) ASSI { 305} ( segid " A" and resid 135 and name HD% ) ( segid " A" and resid 169 and name HB% ) 6.000 4.500 0.000 peak 305 spectrum 1 weight 0.10000E+01 volume 0.94093E-03 ppm1 7.306 ppm2 1.390 CV 1 ASSI { 306} ( segid " A" and resid 132 and name HE% ) ( segid " A" and resid 173 and name HE% ) 6.000 4.500 0.000 peak 306 spectrum 1 weight 0.10000E+01 volume 0.18380E-02 ppm1 6.896 ppm2 1.391 CV 1 ASSI { 307} ( segid " A" and resid 252 and name HE% ) (( segid " A" and resid 250 and name HB1 )) 6.000 4.500 0.000 peak 307 spectrum 1 weight 0.10000E+01 volume 0.12867E-02 ppm1 6.837 ppm2 1.394 CV 1 ASSI { 308} ( segid " A" and resid 115 and name HE% ) (( segid " A" and resid 184 and name HG2 )) 6.000 4.500 0.000 peak 308 spectrum 1 weight 0.10000E+01 volume 0.87123E-03 ppm1 6.255 ppm2 1.395 CV 1 ASSI { 309} ( segid " A" and resid 252 and name HD% ) (( segid " A" and resid 250 and name HB1 )) 6.000 4.500 0.000 peak 309 spectrum 1 weight 0.10000E+01 volume 0.13614E-02 ppm1 6.843 ppm2 1.361 CV 1 ASSI { 311} (( segid " A" and resid 249 and name HD2 )) (( segid " A" and resid 242 and name HG2 )) 6.000 4.500 0.000 peak 311 spectrum 1 weight 0.10000E+01 volume 0.58338E-03 ppm1 7.098 ppm2 1.366 CV 1 OR { 311} (( segid " A" and resid 249 and name HD2 )) (( segid " A" and resid 242 and name HB2 )) OR { 311} (( segid " A" and resid 249 and name HD2 )) (( segid " A" and resid 248 and name HG2 )) OR { 311} (( segid " A" and resid 249 and name HD2 )) (( segid " A" and resid 248 and name HG1 )) ASSI { 312} (( segid " A" and resid 249 and name HE1 )) (( segid " A" and resid 216 and name HB )) 6.000 4.500 0.000 peak 312 spectrum 1 weight 0.10000E+01 volume 0.19769E-02 ppm1 7.455 ppm2 1.310 CV 1 ASSI { 313} (( segid " A" and resid 145 and name HH2 )) ( segid " A" and resid 143 and name HE% ) 6.000 4.500 0.000 peak 313 spectrum 1 weight 0.10000E+01 volume 0.46073E-03 ppm1 7.228 ppm2 1.304 CV 1 ASSI { 314} ( segid " A" and resid 212 and name HE% ) ( segid " A" and resid 214 and name HB% ) 6.000 4.500 0.000 peak 314 spectrum 1 weight 0.10000E+01 volume 0.63498E-03 ppm1 6.593 ppm2 1.318 CV 1 ASSI { 315} (( segid " A" and resid 145 and name HZ2 )) ( segid " A" and resid 143 and name HE% ) 6.000 4.500 0.000 peak 315 spectrum 1 weight 0.10000E+01 volume 0.82914E-03 ppm1 7.481 ppm2 1.302 CV 1 ASSI { 317} ( segid " A" and resid 257 and name HD% ) ( segid " A" and resid 266 and name HB% ) 6.000 4.500 0.000 peak 317 spectrum 1 weight 0.10000E+01 volume 0.78071E-03 ppm1 6.982 ppm2 1.285 CV 1 ASSI { 318} ( segid " A" and resid 229 and name HE% ) (( segid " A" and resid 255 and name HB )) 6.000 4.500 0.000 peak 318 spectrum 1 weight 0.10000E+01 volume 0.16814E-02 ppm1 6.792 ppm2 1.280 CV 1 OR { 318} ( segid " A" and resid 229 and name HE% ) ( segid " A" and resid 266 and name HB% ) ASSI { 319} (( segid " A" and resid 152 and name HD2 )) ( segid " A" and resid 143 and name HE% ) 6.000 4.500 0.000 peak 319 spectrum 1 weight 0.10000E+01 volume 0.13523E-02 ppm1 6.892 ppm2 1.296 CV 1 ASSI { 321} ( segid " A" and resid 257 and name HE% ) ( segid " A" and resid 266 and name HB% ) 6.000 4.500 0.000 peak 321 spectrum 1 weight 0.10000E+01 volume 0.98573E-03 ppm1 6.684 ppm2 1.281 CV 1 ASSI { 322} (( segid " A" and resid 152 and name HE1 )) (( segid " A" and resid 119 and name HG11)) 6.000 4.500 0.000 peak 322 spectrum 1 weight 0.10000E+01 volume 0.60692E-03 ppm1 7.310 ppm2 1.258 CV 1 OR { 322} (( segid " A" and resid 152 and name HE1 )) (( segid " A" and resid 128 and name HG11)) ASSI { 324} ( segid " A" and resid 229 and name HD% ) ( segid " A" and resid 266 and name HB% ) 6.000 4.500 0.000 peak 324 spectrum 1 weight 0.10000E+01 volume 0.21312E-02 ppm1 7.706 ppm2 1.276 CV 1 ASSI { 325} ( segid " A" and resid 254 and name HD% ) (( segid " A" and resid 211 and name HG12)) 6.000 4.500 0.000 peak 325 spectrum 1 weight 0.10000E+01 volume 0.50192E-03 ppm1 7.276 ppm2 1.257 CV 1 OR { 325} ( segid " A" and resid 254 and name HD% ) (( segid " A" and resid 255 and name HB )) OR { 325} ( segid " A" and resid 254 and name HD% ) (( segid " A" and resid 213 and name HB )) ASSI { 326} ( segid " A" and resid 257 and name HE% ) ( segid " A" and resid 266 and name HB% ) 6.000 4.500 0.000 peak 326 spectrum 1 weight 0.10000E+01 volume 0.84045E-03 ppm1 6.695 ppm2 1.274 CV 1 OR { 326} ( segid " A" and resid 257 and name HE% ) (( segid " A" and resid 255 and name HB )) ASSI { 327} ( segid " A" and resid 254 and name HD% ) ( segid " A" and resid 239 and name HG2%) 6.000 4.500 0.000 peak 327 spectrum 1 weight 0.10000E+01 volume 0.61235E-03 ppm1 7.287 ppm2 1.189 CV 1 ASSI { 328} ( segid " A" and resid 208 and name HE% ) ( segid " A" and resid 207 and name HB% ) 6.000 4.500 0.000 peak 328 spectrum 1 weight 0.10000E+01 volume 0.23598E-02 ppm1 7.396 ppm2 1.181 CV 1 ASSI { 329} (( segid " A" and resid 152 and name HE1 )) (( segid " A" and resid 119 and name HB )) 6.000 4.500 0.000 peak 329 spectrum 1 weight 0.10000E+01 volume 0.76397E-03 ppm1 7.310 ppm2 1.159 CV 1 ASSI { 330} ( segid " A" and resid 208 and name HD% ) ( segid " A" and resid 207 and name HB% ) 6.000 4.500 0.000 peak 330 spectrum 1 weight 0.10000E+01 volume 0.25272E-02 ppm1 7.422 ppm2 1.172 CV 1 ASSI { 332} ( segid " A" and resid 254 and name HD% ) (( segid " A" and resid 255 and name HG11)) 6.000 4.500 0.000 peak 332 spectrum 1 weight 0.10000E+01 volume 0.89839E-03 ppm1 7.288 ppm2 1.094 CV 1 OR { 332} ( segid " A" and resid 254 and name HD% ) ( segid " A" and resid 162 and name HG1%) ASSI { 333} ( segid " A" and resid 252 and name HE% ) ( segid " A" and resid 162 and name HG1%) 6.000 4.500 0.000 peak 333 spectrum 1 weight 0.10000E+01 volume 0.13433E-02 ppm1 6.836 ppm2 1.089 CV 1 ASSI { 334} ( segid " A" and resid 273 and name HD% ) ( segid " A" and resid 280 and name HD1%) 6.000 4.500 0.000 peak 334 spectrum 1 weight 0.10000E+01 volume 0.27490E-02 ppm1 7.201 ppm2 1.072 CV 1 ASSI { 335} ( segid " A" and resid 273 and name HE% ) ( segid " A" and resid 275 and name HD1%) 6.000 4.500 0.000 peak 335 spectrum 1 weight 0.10000E+01 volume 0.20697E-02 ppm1 6.957 ppm2 1.060 CV 1 OR { 335} ( segid " A" and resid 273 and name HE% ) ( segid " A" and resid 280 and name HD1%) ASSI { 336} ( segid " A" and resid 212 and name HD% ) ( segid " A" and resid 168 and name HD2%) 6.000 4.500 0.000 peak 336 spectrum 1 weight 0.10000E+01 volume 0.61597E-03 ppm1 6.480 ppm2 1.044 CV 1 ASSI { 339} ( segid " A" and resid 135 and name HD% ) ( segid " A" and resid 168 and name HD2%) 6.000 4.500 0.000 peak 339 spectrum 1 weight 0.10000E+01 volume 0.11306E-02 ppm1 7.305 ppm2 1.044 CV 1 ASSI { 340} (( segid " A" and resid 165 and name HN )) ( segid " A" and resid 168 and name HD2%) 6.000 4.500 0.000 peak 340 spectrum 1 weight 0.10000E+01 volume 0.67526E-03 ppm1 6.332 ppm2 1.047 CV 1 ASSI { 341} ( segid " A" and resid 212 and name HE% ) ( segid " A" and resid 168 and name HD2%) 6.000 4.500 0.000 peak 341 spectrum 1 weight 0.10000E+01 volume 0.73862E-03 ppm1 6.595 ppm2 1.045 CV 1 ASSI { 342} ( segid " A" and resid 132 and name HD% ) ( segid " A" and resid 185 and name HG1%) 6.000 4.500 0.000 peak 342 spectrum 1 weight 0.10000E+01 volume 0.11577E-02 ppm1 7.993 ppm2 1.016 CV 1 OR { 342} ( segid " A" and resid 132 and name HD% ) ( segid " A" and resid 185 and name HG2%) OR { 342} ( segid " A" and resid 132 and name HD% ) ( segid " A" and resid 168 and name HD2%) ASSI { 343} ( segid " A" and resid 229 and name HD% ) ( segid " A" and resid 228 and name HG1%) 6.000 4.500 0.000 peak 343 spectrum 1 weight 0.10000E+01 volume 0.24544E-02 ppm1 7.708 ppm2 1.018 CV 1 OR { 343} ( segid " A" and resid 229 and name HD% ) ( segid " A" and resid 282 and name HG2%) OR { 343} ( segid " A" and resid 229 and name HD% ) ( segid " A" and resid 282 and name HG1%) OR { 343} ( segid " A" and resid 229 and name HD% ) ( segid " A" and resid 267 and name HG1%) ASSI { 344} ( segid " A" and resid 229 and name HE% ) (( segid " A" and resid 211 and name HG11)) 6.000 4.500 0.000 peak 344 spectrum 1 weight 0.10000E+01 volume 0.41443E-02 ppm1 6.794 ppm2 1.025 CV 1 OR { 344} ( segid " A" and resid 229 and name HE% ) ( segid " A" and resid 282 and name HG2%) OR { 344} ( segid " A" and resid 229 and name HE% ) ( segid " A" and resid 282 and name HG1%) ASSI { 345} ( segid " A" and resid 132 and name HE% ) ( segid " A" and resid 185 and name HG2%) 6.000 4.500 0.000 peak 345 spectrum 1 weight 0.10000E+01 volume 0.26218E-02 ppm1 6.902 ppm2 1.018 CV 1 OR { 345} ( segid " A" and resid 132 and name HE% ) ( segid " A" and resid 185 and name HG1%) ASSI { 346} (( segid " A" and resid 135 and name HZ )) (( segid " A" and resid 281 and name HG2 )) 6.000 4.500 0.000 peak 346 spectrum 1 weight 0.10000E+01 volume 0.45440E-03 ppm1 7.145 ppm2 1.020 CV 1 OR { 346} (( segid " A" and resid 135 and name HZ )) ( segid " A" and resid 176 and name HG1%) ASSI { 347} (( segid " A" and resid 229 and name HZ )) ( segid " A" and resid 282 and name HG2%) 6.000 4.500 0.000 peak 347 spectrum 1 weight 0.10000E+01 volume 0.21570E-02 ppm1 6.891 ppm2 1.021 CV 1 OR { 347} (( segid " A" and resid 229 and name HZ )) ( segid " A" and resid 282 and name HG1%) ASSI { 348} ( segid " A" and resid 257 and name HD% ) ( segid " A" and resid 211 and name HG2%) 6.000 4.500 0.000 peak 348 spectrum 1 weight 0.10000E+01 volume 0.10360E-02 ppm1 6.983 ppm2 0.996 CV 1 ASSI { 349} ( segid " A" and resid 257 and name HE% ) ( segid " A" and resid 211 and name HG2%) 6.000 4.500 0.000 peak 349 spectrum 1 weight 0.10000E+01 volume 0.72142E-03 ppm1 6.696 ppm2 0.995 CV 1 ASSI { 350} ( segid " A" and resid 120 and name HD% ) ( segid " A" and resid 123 and name HD2%) 6.000 4.500 0.000 peak 350 spectrum 1 weight 0.10000E+01 volume 0.25888E-02 ppm1 7.113 ppm2 0.972 CV 1 OR { 350} ( segid " A" and resid 120 and name HD% ) ( segid " A" and resid 123 and name HD1%) ASSI { 351} ( segid " A" and resid 232 and name HE% ) ( segid " A" and resid 231 and name HB% ) 6.000 4.500 0.000 peak 351 spectrum 1 weight 0.10000E+01 volume 0.90879E-03 ppm1 7.090 ppm2 0.962 CV 1 ASSI { 352} ( segid " A" and resid 120 and name HE% ) ( segid " A" and resid 123 and name HD2%) 6.000 4.500 0.000 peak 352 spectrum 1 weight 0.10000E+01 volume 0.15596E-02 ppm1 6.880 ppm2 0.967 CV 1 OR { 352} ( segid " A" and resid 120 and name HE% ) ( segid " A" and resid 123 and name HD1%) ASSI { 353} (( segid " A" and resid 249 and name HE1 )) ( segid " A" and resid 220 and name HD2%) 6.000 4.500 0.000 peak 353 spectrum 1 weight 0.10000E+01 volume 0.57343E-03 ppm1 7.452 ppm2 0.946 CV 1 ASSI { 354} ( segid " A" and resid 232 and name HD% ) ( segid " A" and resid 231 and name HB% ) 6.000 4.500 0.000 peak 354 spectrum 1 weight 0.10000E+01 volume 0.16786E-02 ppm1 7.388 ppm2 0.941 CV 1 ASSI { 357} ( segid " A" and resid 212 and name HD% ) ( segid " A" and resid 168 and name HD1%) 6.000 4.500 0.000 peak 357 spectrum 1 weight 0.10000E+01 volume 0.46345E-03 ppm1 6.493 ppm2 0.920 CV 1 ASSI { 358} ( segid " A" and resid 135 and name HD% ) ( segid " A" and resid 168 and name HD1%) 6.000 4.500 0.000 peak 358 spectrum 1 weight 0.10000E+01 volume 0.10563E-02 ppm1 7.307 ppm2 0.932 CV 1 ASSI { 359} ( segid " A" and resid 273 and name HE% ) ( segid " A" and resid 220 and name HD2%) 6.000 4.500 0.000 peak 359 spectrum 1 weight 0.10000E+01 volume 0.19335E-02 ppm1 6.952 ppm2 0.923 CV 1 ASSI { 360} (( segid " A" and resid 135 and name HZ )) ( segid " A" and resid 168 and name HD1%) 6.000 4.500 0.000 peak 360 spectrum 1 weight 0.10000E+01 volume 0.63951E-03 ppm1 7.132 ppm2 0.920 CV 1 OR { 360} (( segid " A" and resid 135 and name HZ )) ( segid " A" and resid 176 and name HG2%) OR { 360} (( segid " A" and resid 135 and name HZ )) ( segid " A" and resid 183 and name HD1%) ASSI { 361} (( segid " A" and resid 217 and name HD2 )) ( segid " A" and resid 220 and name HD2%) 6.000 4.500 0.000 peak 361 spectrum 1 weight 0.10000E+01 volume 0.84679E-03 ppm1 7.067 ppm2 0.934 CV 1 ASSI { 362} ( segid " A" and resid 212 and name HE% ) ( segid " A" and resid 168 and name HD1%) 6.000 4.500 0.000 peak 362 spectrum 1 weight 0.10000E+01 volume 0.54854E-03 ppm1 6.590 ppm2 0.925 CV 1 ASSI { 363} ( segid " A" and resid 273 and name HD% ) ( segid " A" and resid 280 and name HD2%) 6.000 4.500 0.000 peak 363 spectrum 1 weight 0.10000E+01 volume 0.19153E-02 ppm1 7.203 ppm2 0.909 CV 1 ASSI { 364} ( segid " A" and resid 132 and name HE% ) ( segid " A" and resid 114 and name HG1%) 6.000 4.500 0.000 peak 364 spectrum 1 weight 0.10000E+01 volume 0.24797E-02 ppm1 6.902 ppm2 0.910 CV 1 OR { 364} ( segid " A" and resid 132 and name HE% ) ( segid " A" and resid 183 and name HD1%) ASSI { 365} ( segid " A" and resid 132 and name HD% ) ( segid " A" and resid 183 and name HD1%) 6.000 4.500 0.000 peak 365 spectrum 1 weight 0.10000E+01 volume 0.19384E-02 ppm1 7.989 ppm2 0.878 CV 1 OR { 365} ( segid " A" and resid 132 and name HD% ) ( segid " A" and resid 156 and name HB% ) ASSI { 366} ( segid " A" and resid 157 and name HD% ) ( segid " A" and resid 156 and name HB% ) 6.000 4.500 0.000 peak 366 spectrum 1 weight 0.10000E+01 volume 0.60692E-03 ppm1 7.224 ppm2 0.885 CV 1 ASSI { 367} ( segid " A" and resid 279 and name HD% ) ( segid " A" and resid 272 and name HD1%) 6.000 4.500 0.000 peak 367 spectrum 1 weight 0.10000E+01 volume 0.12451E-02 ppm1 7.013 ppm2 0.831 CV 1 ASSI { 368} ( segid " A" and resid 254 and name HD% ) ( segid " A" and resid 241 and name HB% ) 6.000 4.500 0.000 peak 368 spectrum 1 weight 0.10000E+01 volume 0.61597E-03 ppm1 7.286 ppm2 0.820 CV 1 OR { 368} ( segid " A" and resid 254 and name HD% ) (( segid " A" and resid 164 and name HB2 )) ASSI { 369} ( segid " A" and resid 279 and name HE% ) ( segid " A" and resid 272 and name HD1%) 6.000 4.500 0.000 peak 369 spectrum 1 weight 0.10000E+01 volume 0.14342E-02 ppm1 6.790 ppm2 0.820 CV 1 ASSI { 370} ( segid " A" and resid 252 and name HD% ) ( segid " A" and resid 241 and name HB% ) 6.000 4.500 0.000 peak 370 spectrum 1 weight 0.10000E+01 volume 0.23272E-02 ppm1 6.840 ppm2 0.807 CV 1 ASSI { 371} ( segid " A" and resid 252 and name HE% ) ( segid " A" and resid 241 and name HB% ) 6.000 4.500 0.000 peak 371 spectrum 1 weight 0.10000E+01 volume 0.33577E-02 ppm1 6.836 ppm2 0.808 CV 1 OR { 371} ( segid " A" and resid 252 and name HE% ) ( segid " A" and resid 162 and name HG2%) ASSI { 372} (( segid " A" and resid 165 and name HN )) (( segid " A" and resid 164 and name HB1 )) 6.000 4.500 0.000 peak 372 spectrum 1 weight 0.10000E+01 volume 0.74405E-03 ppm1 6.331 ppm2 0.799 CV 1 OR { 372} (( segid " A" and resid 165 and name HN )) ( segid " A" and resid 162 and name HG2%) ASSI { 373} ( segid " A" and resid 212 and name HE% ) (( segid " A" and resid 164 and name HB2 )) 6.000 4.500 0.000 peak 373 spectrum 1 weight 0.10000E+01 volume 0.58610E-03 ppm1 6.603 ppm2 0.806 CV 1 OR { 373} ( segid " A" and resid 212 and name HE% ) (( segid " A" and resid 164 and name HB1 )) ASSI { 374} ( segid " A" and resid 257 and name HD% ) ( segid " A" and resid 211 and name HD1%) 6.000 4.500 0.000 peak 374 spectrum 1 weight 0.10000E+01 volume 0.77619E-03 ppm1 6.997 ppm2 0.751 CV 1 ASSI { 375} ( segid " A" and resid 229 and name HE% ) ( segid " A" and resid 211 and name HD1%) 6.000 4.500 0.000 peak 375 spectrum 1 weight 0.10000E+01 volume 0.15542E-02 ppm1 6.793 ppm2 0.757 CV 1 ASSI { 376} ( segid " A" and resid 132 and name HE% ) ( segid " A" and resid 116 and name HG2%) 6.000 4.500 0.000 peak 376 spectrum 1 weight 0.10000E+01 volume 0.15596E-02 ppm1 6.901 ppm2 0.755 CV 1 ASSI { 377} ( segid " A" and resid 257 and name HE% ) ( segid " A" and resid 211 and name HD1%) 6.000 4.500 0.000 peak 377 spectrum 1 weight 0.10000E+01 volume 0.10500E-02 ppm1 6.697 ppm2 0.750 CV 1 ASSI { 378} (( segid " A" and resid 152 and name HE1 )) ( segid " A" and resid 119 and name HG2%) 6.000 4.500 0.000 peak 378 spectrum 1 weight 0.10000E+01 volume 0.16171E-02 ppm1 7.308 ppm2 0.725 CV 1 ASSI { 379} ( segid " A" and resid 279 and name HD% ) ( segid " A" and resid 272 and name HD2%) 6.000 4.500 0.000 peak 379 spectrum 1 weight 0.10000E+01 volume 0.25707E-02 ppm1 7.012 ppm2 0.732 CV 1 ASSI { 380} ( segid " A" and resid 120 and name HD% ) ( segid " A" and resid 119 and name HG2%) 6.000 4.500 0.000 peak 380 spectrum 1 weight 0.10000E+01 volume 0.52953E-03 ppm1 7.114 ppm2 0.728 CV 1 ASSI { 381} (( segid " A" and resid 217 and name HD2 )) ( segid " A" and resid 220 and name HD1%) 6.000 4.500 0.000 peak 381 spectrum 1 weight 0.10000E+01 volume 0.79067E-03 ppm1 7.062 ppm2 0.723 CV 1 ASSI { 382} ( segid " A" and resid 279 and name HE% ) ( segid " A" and resid 272 and name HD2%) 6.000 4.500 0.000 peak 382 spectrum 1 weight 0.10000E+01 volume 0.16221E-02 ppm1 6.788 ppm2 0.734 CV 1 ASSI { 383} (( segid " A" and resid 249 and name HE1 )) ( segid " A" and resid 216 and name HG1%) 6.000 4.500 0.000 peak 383 spectrum 1 weight 0.10000E+01 volume 0.31233E-02 ppm1 7.459 ppm2 0.698 CV 1 ASSI { 385} (( segid " A" and resid 249 and name HD2 )) ( segid " A" and resid 216 and name HG1%) 6.000 4.500 0.000 peak 385 spectrum 1 weight 0.10000E+01 volume 0.58157E-03 ppm1 7.089 ppm2 0.716 CV 1 ASSI { 386} ( segid " A" and resid 252 and name HD% ) ( segid " A" and resid 165 and name HB% ) 6.000 4.500 0.000 peak 386 spectrum 1 weight 0.10000E+01 volume 0.14085E-02 ppm1 6.837 ppm2 0.684 CV 1 OR { 386} ( segid " A" and resid 252 and name HD% ) ( segid " A" and resid 216 and name HG1%) ASSI { 387} ( segid " A" and resid 160 and name HD% ) ( segid " A" and resid 165 and name HB% ) 6.000 4.500 0.000 peak 387 spectrum 1 weight 0.10000E+01 volume 0.11668E-02 ppm1 6.834 ppm2 0.680 CV 1 ASSI { 388} ( segid " A" and resid 229 and name HD% ) ( segid " A" and resid 225 and name HG2%) 6.000 4.500 0.000 peak 388 spectrum 1 weight 0.10000E+01 volume 0.33935E-02 ppm1 7.709 ppm2 0.654 CV 1 ASSI { 389} ( segid " A" and resid 229 and name HE% ) ( segid " A" and resid 225 and name HG2%) 6.000 4.500 0.000 peak 389 spectrum 1 weight 0.10000E+01 volume 0.21828E-02 ppm1 6.793 ppm2 0.655 CV 1 ASSI { 390} ( segid " A" and resid 257 and name HD% ) ( segid " A" and resid 235 and name HG2%) 6.000 4.500 0.000 peak 390 spectrum 1 weight 0.10000E+01 volume 0.44670E-03 ppm1 6.981 ppm2 0.619 CV 1 OR { 390} ( segid " A" and resid 257 and name HD% ) (( segid " A" and resid 255 and name HG12)) ASSI { 392} ( segid " A" and resid 132 and name HD% ) ( segid " A" and resid 128 and name HG2%) 6.000 4.500 0.000 peak 392 spectrum 1 weight 0.10000E+01 volume 0.27997E-02 ppm1 7.991 ppm2 0.558 CV 1 ASSI { 393} ( segid " A" and resid 132 and name HE% ) ( segid " A" and resid 128 and name HG2%) 6.000 4.500 0.000 peak 393 spectrum 1 weight 0.10000E+01 volume 0.11541E-02 ppm1 6.905 ppm2 0.547 CV 1 ASSI { 394} ( segid " A" and resid 229 and name HD% ) ( segid " A" and resid 228 and name HG2%) 6.000 4.500 0.000 peak 394 spectrum 1 weight 0.10000E+01 volume 0.12487E-02 ppm1 7.707 ppm2 0.502 CV 1 ASSI { 395} ( segid " A" and resid 273 and name HE% ) ( segid " A" and resid 228 and name HG2%) 6.000 4.500 0.000 peak 395 spectrum 1 weight 0.10000E+01 volume 0.80560E-03 ppm1 6.953 ppm2 0.507 CV 1 ASSI { 396} ( segid " A" and resid 273 and name HD% ) ( segid " A" and resid 228 and name HG2%) 6.000 4.500 0.000 peak 396 spectrum 1 weight 0.10000E+01 volume 0.60330E-03 ppm1 7.202 ppm2 0.481 CV 1 ASSI { 397} (( segid " A" and resid 249 and name HE1 )) ( segid " A" and resid 216 and name HG2%) 6.000 4.500 0.000 peak 397 spectrum 1 weight 0.10000E+01 volume 0.10731E-02 ppm1 7.455 ppm2 0.408 CV 1 ASSI { 398} ( segid " A" and resid 229 and name HE% ) ( segid " A" and resid 213 and name HG2%) 6.000 4.500 0.000 peak 398 spectrum 1 weight 0.10000E+01 volume 0.16737E-02 ppm1 6.796 ppm2 0.410 CV 1 ASSI { 399} (( segid " A" and resid 229 and name HZ )) ( segid " A" and resid 213 and name HG2%) 6.000 4.500 0.000 peak 399 spectrum 1 weight 0.10000E+01 volume 0.96899E-03 ppm1 6.890 ppm2 0.423 CV 1 ASSI { 400} ( segid " A" and resid 252 and name HD% ) ( segid " A" and resid 216 and name HG2%) 6.000 4.500 0.000 peak 400 spectrum 1 weight 0.10000E+01 volume 0.56166E-03 ppm1 6.830 ppm2 0.385 CV 1 OR { 400} ( segid " A" and resid 252 and name HD% ) ( segid " A" and resid 213 and name HG1%) ASSI { 401} ( segid " A" and resid 229 and name HD% ) ( segid " A" and resid 213 and name HG1%) 6.000 4.500 0.000 peak 401 spectrum 1 weight 0.10000E+01 volume 0.10527E-02 ppm1 7.704 ppm2 0.393 CV 1 OR { 401} ( segid " A" and resid 229 and name HD% ) ( segid " A" and resid 213 and name HG2%) ASSI { 402} ( segid " A" and resid 132 and name HD% ) ( segid " A" and resid 116 and name HG1%) 6.000 4.500 0.000 peak 402 spectrum 1 weight 0.10000E+01 volume 0.87395E-03 ppm1 7.988 ppm2 0.321 CV 1 ASSI { 403} ( segid " A" and resid 132 and name HE% ) ( segid " A" and resid 116 and name HG1%) 6.000 4.500 0.000 peak 403 spectrum 1 weight 0.10000E+01 volume 0.12451E-02 ppm1 6.903 ppm2 0.316 CV 1 ASSI { 404} (( segid " A" and resid 152 and name HE1 )) ( segid " A" and resid 119 and name HD1%) 6.000 4.500 0.000 peak 404 spectrum 1 weight 0.10000E+01 volume 0.49739E-03 ppm1 7.307 ppm2 0.268 CV 1 ASSI { 405} ( segid " A" and resid 273 and name HD% ) ( segid " A" and resid 270 and name HE% ) 6.000 4.500 0.000 peak 405 spectrum 1 weight 0.10000E+01 volume 0.12469E-02 ppm1 7.206 ppm2 0.208 CV 1 ASSI { 406} ( segid " A" and resid 229 and name HD% ) ( segid " A" and resid 270 and name HE% ) 6.000 4.500 0.000 peak 406 spectrum 1 weight 0.10000E+01 volume 0.11740E-02 ppm1 7.711 ppm2 0.227 CV 1 ASSI { 407} ( segid " A" and resid 273 and name HE% ) ( segid " A" and resid 270 and name HE% ) 6.000 4.500 0.000 peak 407 spectrum 1 weight 0.10000E+01 volume 0.70785E-03 ppm1 6.970 ppm2 0.208 CV 1 ASSI { 409} ( segid " A" and resid 229 and name HE% ) ( segid " A" and resid 270 and name HE% ) 6.000 4.500 0.000 peak 409 spectrum 1 weight 0.10000E+01 volume 0.13306E-02 ppm1 6.792 ppm2 0.207 CV 1 ASSI { 410} (( segid " A" and resid 229 and name HZ )) ( segid " A" and resid 270 and name HE% ) 6.000 4.500 0.000 peak 410 spectrum 1 weight 0.10000E+01 volume 0.74858E-03 ppm1 6.882 ppm2 0.204 CV 1 ASSI { 411} ( segid " A" and resid 160 and name HD% ) ( segid " A" and resid 158 and name HG1%) 6.000 4.500 0.000 peak 411 spectrum 1 weight 0.10000E+01 volume 0.51550E-03 ppm1 6.836 ppm2 0.173 CV 1 ASSI { 412} ( segid " A" and resid 132 and name HD% ) ( segid " A" and resid 158 and name HG1%) 6.000 4.500 0.000 peak 412 spectrum 1 weight 0.10000E+01 volume 0.12686E-02 ppm1 7.986 ppm2 0.160 CV 1 ASSI { 413} ( segid " A" and resid 252 and name HD% ) ( segid " A" and resid 240 and name HD2%) 6.000 4.500 0.000 peak 413 spectrum 1 weight 0.10000E+01 volume 0.51731E-03 ppm1 6.836 ppm2 0.135 CV 1 ASSI { 414} (( segid " A" and resid 249 and name HE1 )) ( segid " A" and resid 240 and name HD2%) 6.000 4.500 0.000 peak 414 spectrum 1 weight 0.10000E+01 volume 0.54944E-03 ppm1 7.458 ppm2 0.094 CV 1 ASSI { 415} ( segid " A" and resid 257 and name HD% ) (( segid " A" and resid 235 and name HG11)) 6.000 4.500 0.000 peak 415 spectrum 1 weight 0.10000E+01 volume 0.47929E-03 ppm1 7.000 ppm2 0.062 CV 1 ASSI { 416} ( segid " A" and resid 132 and name HD% ) ( segid " A" and resid 158 and name HG2%) 6.000 4.500 0.000 peak 416 spectrum 1 weight 0.10000E+01 volume 0.13252E-02 ppm1 7.987 ppm2 0.074 CV 1 ASSI { 417} ( segid " A" and resid 132 and name HE% ) ( segid " A" and resid 158 and name HG2%) 6.000 4.500 0.000 peak 417 spectrum 1 weight 0.10000E+01 volume 0.59696E-03 ppm1 6.894 ppm2 0.072 CV 1 ASSI { 418} (( segid " A" and resid 249 and name HE1 )) ( segid " A" and resid 240 and name HD1%) 6.000 4.500 0.000 peak 418 spectrum 1 weight 0.10000E+01 volume 0.64313E-03 ppm1 7.458 ppm2 -0.055 CV 1 ASSI { 419} (( segid " A" and resid 249 and name HD2 )) ( segid " A" and resid 240 and name HD1%) 6.000 4.500 0.000 peak 419 spectrum 1 weight 0.10000E+01 volume 0.27196E-02 ppm1 7.096 ppm2 -0.057 CV 1 ASSI { 420} ( segid " A" and resid 229 and name HD% ) ( segid " A" and resid 255 and name HD1%) 6.000 4.500 0.000 peak 420 spectrum 1 weight 0.10000E+01 volume 0.17610E-02 ppm1 7.707 ppm2 -0.100 CV 1 ASSI { 421} ( segid " A" and resid 229 and name HE% ) ( segid " A" and resid 255 and name HD1%) 6.000 4.500 0.000 peak 421 spectrum 1 weight 0.10000E+01 volume 0.83276E-03 ppm1 6.789 ppm2 -0.103 CV 1 ASSI { 422} ( segid " A" and resid 115 and name HD% ) (( segid " A" and resid 115 and name HB2 )) 6.000 4.500 0.000 peak 422 spectrum 1 weight 0.10000E+01 volume 0.27196E-02 ppm1 6.411 ppm2 2.405 CV 1 ASSI { 423} ( segid " A" and resid 252 and name HD% ) (( segid " A" and resid 252 and name HB1 )) 6.000 4.500 0.000 peak 423 spectrum 1 weight 0.10000E+01 volume 0.21724E-02 ppm1 6.836 ppm2 2.796 CV 1 ASSI { 424} ( segid " A" and resid 257 and name HD% ) (( segid " A" and resid 257 and name HB1 )) 6.000 4.500 0.000 peak 424 spectrum 1 weight 0.10000E+01 volume 0.12070E-02 ppm1 6.990 ppm2 2.778 CV 1 ASSI { 425} ( segid " A" and resid 254 and name HD% ) (( segid " A" and resid 254 and name HB1 )) 6.000 4.500 0.000 peak 425 spectrum 1 weight 0.10000E+01 volume 0.32138E-02 ppm1 7.287 ppm2 2.772 CV 1 ASSI { 426} ( segid " A" and resid 160 and name HD% ) (( segid " A" and resid 160 and name HN )) 6.000 4.500 0.000 peak 426 spectrum 1 weight 0.10000E+01 volume 0.48834E-03 ppm1 6.824 ppm2 8.984 CV 1 ASSI { 427} ( segid " A" and resid 273 and name HD% ) (( segid " A" and resid 275 and name HA )) 6.000 4.500 0.000 peak 427 spectrum 1 weight 0.10000E+01 volume 0.56076E-03 ppm1 7.197 ppm2 4.802 CV 1 ASSI { 428} (( segid " A" and resid 217 and name HD2 )) (( segid " A" and resid 276 and name HA1 )) 6.000 4.500 0.000 peak 428 spectrum 1 weight 0.10000E+01 volume 0.11704E-02 ppm1 7.061 ppm2 3.712 CV 1 ASSI { 429} (( segid " A" and resid 145 and name HD1 )) (( segid " A" and resid 145 and name HB2 )) 6.000 4.500 0.000 peak 429 spectrum 1 weight 0.10000E+01 volume 0.36252E-02 ppm1 7.149 ppm2 3.057 CV 1 ASSI { 1} (( segid " A" and resid 108 and name HA )) (( segid " A" and resid 109 and name HN )) 6.000 4.500 0.000 peak 1 spectrum 1 weight 0.10000E+01 volume 0.21278E-02 ppm1 4.032 ppm2 7.438 CV 1 ASSI { 2} (( segid " A" and resid 168 and name HB1 )) (( segid " A" and resid 169 and name HN )) 6.000 4.500 0.000 peak 2 spectrum 1 weight 0.10000E+01 volume 0.79469E-03 ppm1 1.548 ppm2 7.731 CV 1 ASSI { 3} (( segid " A" and resid 168 and name HB2 )) (( segid " A" and resid 169 and name HN )) 6.000 4.500 0.000 peak 3 spectrum 1 weight 0.10000E+01 volume 0.96122E-03 ppm1 1.881 ppm2 7.730 CV 1 ASSI { 4} (( segid " A" and resid 168 and name HB1 )) (( segid " A" and resid 168 and name HN )) 6.000 4.500 0.000 peak 4 spectrum 1 weight 0.10000E+01 volume 0.10075E-02 ppm1 1.540 ppm2 7.471 CV 1 ASSI { 5} (( segid " A" and resid 168 and name HB2 )) (( segid " A" and resid 168 and name HN )) 6.000 4.500 0.000 peak 5 spectrum 1 weight 0.10000E+01 volume 0.13877E-02 ppm1 1.879 ppm2 7.469 CV 1 ASSI { 7} ( segid " A" and resid 168 and name HD2%) (( segid " A" and resid 168 and name HN )) 6.000 4.500 0.000 peak 7 spectrum 1 weight 0.10000E+01 volume 0.16421E-02 ppm1 1.033 ppm2 7.458 CV 1 ASSI { 8} (( segid " A" and resid 266 and name HA )) (( segid " A" and resid 266 and name HN )) 6.000 4.500 0.000 peak 8 spectrum 1 weight 0.10000E+01 volume 0.17467E-02 ppm1 2.424 ppm2 7.937 CV 1 ASSI { 9} (( segid " A" and resid 169 and name HA )) (( segid " A" and resid 169 and name HN )) 6.000 4.500 0.000 peak 9 spectrum 1 weight 0.10000E+01 volume 0.20150E-02 ppm1 2.418 ppm2 7.736 CV 1 ASSI { 10} (( segid " A" and resid 266 and name HA )) ( segid " A" and resid 232 and name HD% ) 6.000 4.500 0.000 peak 10 spectrum 1 weight 0.10000E+01 volume 0.11999E-02 ppm1 2.410 ppm2 7.386 CV 1 OR { 10} (( segid " A" and resid 169 and name HA )) ( segid " A" and resid 135 and name HE% ) ASSI { 11} (( segid " A" and resid 266 and name HA )) (( segid " A" and resid 232 and name HN )) 6.000 4.500 0.000 peak 11 spectrum 1 weight 0.10000E+01 volume 0.67813E-03 ppm1 2.415 ppm2 7.107 CV 1 ASSI { 12} ( segid " A" and resid 169 and name HB% ) (( segid " A" and resid 170 and name HN )) 6.000 4.500 0.000 peak 12 spectrum 1 weight 0.10000E+01 volume 0.31954E-02 ppm1 1.360 ppm2 8.021 CV 1 ASSI { 13} ( segid " A" and resid 169 and name HB% ) (( segid " A" and resid 169 and name HN )) 6.000 4.500 0.000 peak 13 spectrum 1 weight 0.10000E+01 volume 0.43306E-02 ppm1 1.361 ppm2 7.726 CV 1 ASSI { 14} (( segid " A" and resid 170 and name HA )) (( segid " A" and resid 170 and name HN )) 6.000 4.500 0.000 peak 14 spectrum 1 weight 0.10000E+01 volume 0.13294E-02 ppm1 3.764 ppm2 8.025 CV 1 ASSI { 15} (( segid " A" and resid 170 and name HB2 )) (( segid " A" and resid 170 and name HN )) 6.000 4.500 0.000 peak 15 spectrum 1 weight 0.10000E+01 volume 0.20279E-02 ppm1 1.795 ppm2 8.022 CV 1 ASSI { 16} (( segid " A" and resid 170 and name HB1 )) (( segid " A" and resid 170 and name HN )) 6.000 4.500 0.000 peak 16 spectrum 1 weight 0.10000E+01 volume 0.18679E-02 ppm1 1.595 ppm2 8.020 CV 1 ASSI { 17} (( segid " A" and resid 170 and name HB1 )) (( segid " A" and resid 171 and name HN )) 6.000 4.500 0.000 peak 17 spectrum 1 weight 0.10000E+01 volume 0.15283E-02 ppm1 1.592 ppm2 7.616 CV 1 ASSI { 18} (( segid " A" and resid 170 and name HB2 )) (( segid " A" and resid 171 and name HN )) 6.000 4.500 0.000 peak 18 spectrum 1 weight 0.10000E+01 volume 0.16764E-02 ppm1 1.796 ppm2 7.614 CV 1 ASSI { 19} (( segid " A" and resid 170 and name HG )) (( segid " A" and resid 170 and name HN )) 6.000 4.500 0.000 peak 19 spectrum 1 weight 0.10000E+01 volume 0.20335E-02 ppm1 1.720 ppm2 8.024 CV 1 ASSI { 20} (( segid " A" and resid 170 and name HG )) (( segid " A" and resid 171 and name HN )) 6.000 4.500 0.000 peak 20 spectrum 1 weight 0.10000E+01 volume 0.10047E-02 ppm1 1.718 ppm2 7.615 CV 1 ASSI { 21} ( segid " A" and resid 170 and name HD1%) (( segid " A" and resid 170 and name HN )) 6.000 4.500 0.000 peak 21 spectrum 1 weight 0.10000E+01 volume 0.20261E-02 ppm1 0.812 ppm2 8.026 CV 1 ASSI { 22} ( segid " A" and resid 170 and name HD1%) (( segid " A" and resid 171 and name HN )) 6.000 4.500 0.000 peak 22 spectrum 1 weight 0.10000E+01 volume 0.13054E-02 ppm1 0.813 ppm2 7.616 CV 1 OR { 22} ( segid " A" and resid 170 and name HD2%) (( segid " A" and resid 171 and name HN )) ASSI { 23} ( segid " A" and resid 170 and name HD1%) (( segid " A" and resid 167 and name HE21)) 6.000 4.500 0.000 peak 23 spectrum 1 weight 0.10000E+01 volume 0.14136E-02 ppm1 0.818 ppm2 6.743 CV 1 OR { 23} ( segid " A" and resid 170 and name HD2%) (( segid " A" and resid 167 and name HE21)) ASSI { 24} (( segid " A" and resid 171 and name HA )) (( segid " A" and resid 171 and name HN )) 6.000 4.500 0.000 peak 24 spectrum 1 weight 0.10000E+01 volume 0.32472E-02 ppm1 4.051 ppm2 7.617 CV 1 ASSI { 25} (( segid " A" and resid 171 and name HB1 )) (( segid " A" and resid 171 and name HN )) 6.000 4.500 0.000 peak 25 spectrum 1 weight 0.10000E+01 volume 0.13239E-02 ppm1 2.189 ppm2 7.612 CV 1 ASSI { 26} (( segid " A" and resid 171 and name HB2 )) (( segid " A" and resid 171 and name HN )) 6.000 4.500 0.000 peak 26 spectrum 1 weight 0.10000E+01 volume 0.16125E-02 ppm1 2.075 ppm2 7.608 CV 1 ASSI { 27} (( segid " A" and resid 171 and name HG1 )) (( segid " A" and resid 167 and name HE22)) 6.000 4.500 0.000 peak 27 spectrum 1 weight 0.10000E+01 volume 0.11333E-02 ppm1 2.261 ppm2 8.034 CV 1 OR { 27} (( segid " A" and resid 171 and name HG1 )) (( segid " A" and resid 170 and name HN )) ASSI { 28} (( segid " A" and resid 171 and name HG2 )) (( segid " A" and resid 167 and name HE22)) 6.000 4.500 0.000 peak 28 spectrum 1 weight 0.10000E+01 volume 0.10463E-02 ppm1 2.671 ppm2 8.044 CV 1 OR { 28} (( segid " A" and resid 171 and name HG2 )) (( segid " A" and resid 170 and name HN )) ASSI { 29} (( segid " A" and resid 204 and name HG2 )) (( segid " A" and resid 205 and name HN )) 6.000 4.500 0.000 peak 29 spectrum 1 weight 0.10000E+01 volume 0.88536E-03 ppm1 2.676 ppm2 8.213 CV 1 OR { 29} (( segid " A" and resid 171 and name HG2 )) (( segid " A" and resid 172 and name HN )) ASSI { 30} (( segid " A" and resid 171 and name HG1 )) (( segid " A" and resid 171 and name HN )) 6.000 4.500 0.000 peak 30 spectrum 1 weight 0.10000E+01 volume 0.21732E-02 ppm1 2.263 ppm2 7.615 CV 1 ASSI { 31} (( segid " A" and resid 171 and name HG2 )) (( segid " A" and resid 171 and name HN )) 6.000 4.500 0.000 peak 31 spectrum 1 weight 0.10000E+01 volume 0.22832E-02 ppm1 2.673 ppm2 7.617 CV 1 ASSI { 32} (( segid " A" and resid 172 and name HG2 )) (( segid " A" and resid 172 and name HN )) 6.000 4.500 0.000 peak 32 spectrum 1 weight 0.10000E+01 volume 0.11425E-02 ppm1 2.789 ppm2 8.174 CV 1 ASSI { 33} (( segid " A" and resid 172 and name HG2 )) (( segid " A" and resid 172 and name HE21)) 6.000 4.500 0.000 peak 33 spectrum 1 weight 0.10000E+01 volume 0.11851E-02 ppm1 2.788 ppm2 7.780 CV 1 ASSI { 34} (( segid " A" and resid 172 and name HG1 )) (( segid " A" and resid 172 and name HE21)) 6.000 4.500 0.000 peak 34 spectrum 1 weight 0.10000E+01 volume 0.16764E-02 ppm1 2.428 ppm2 7.770 CV 1 ASSI { 35} (( segid " A" and resid 172 and name HG1 )) (( segid " A" and resid 172 and name HN )) 6.000 4.500 0.000 peak 35 spectrum 1 weight 0.10000E+01 volume 0.13415E-02 ppm1 2.412 ppm2 8.201 CV 1 ASSI { 36} (( segid " A" and resid 218 and name HA )) (( segid " A" and resid 219 and name HN )) 6.000 4.500 0.000 peak 36 spectrum 1 weight 0.10000E+01 volume 0.78267E-03 ppm1 3.656 ppm2 11.210 CV 1 ASSI { 37} (( segid " A" and resid 251 and name HA2 )) (( segid " A" and resid 251 and name HN )) 6.000 4.500 0.000 peak 37 spectrum 1 weight 0.10000E+01 volume 0.99637E-03 ppm1 4.325 ppm2 11.227 CV 1 ASSI { 38} (( segid " A" and resid 251 and name HA1 )) (( segid " A" and resid 251 and name HN )) 6.000 4.500 0.000 peak 38 spectrum 1 weight 0.10000E+01 volume 0.15061E-02 ppm1 4.169 ppm2 11.232 CV 1 ASSI { 39} (( segid " A" and resid 218 and name HB2 )) (( segid " A" and resid 251 and name HN )) 6.000 4.500 0.000 peak 39 spectrum 1 weight 0.10000E+01 volume 0.75676E-03 ppm1 1.813 ppm2 11.225 CV 1 ASSI { 40} (( segid " A" and resid 219 and name HB2 )) (( segid " A" and resid 219 and name HN )) 6.000 4.500 0.000 peak 40 spectrum 1 weight 0.10000E+01 volume 0.96677E-03 ppm1 2.907 ppm2 11.189 CV 1 ASSI { 41} (( segid " A" and resid 219 and name HB1 )) (( segid " A" and resid 219 and name HN )) 6.000 4.500 0.000 peak 41 spectrum 1 weight 0.10000E+01 volume 0.10667E-02 ppm1 2.727 ppm2 11.187 CV 1 ASSI { 42} (( segid " A" and resid 218 and name HG1 )) (( segid " A" and resid 219 and name HN )) 6.000 4.500 0.000 peak 42 spectrum 1 weight 0.10000E+01 volume 0.93809E-03 ppm1 2.225 ppm2 11.178 CV 1 ASSI { 43} (( segid " A" and resid 218 and name HG2 )) (( segid " A" and resid 219 and name HN )) 6.000 4.500 0.000 peak 43 spectrum 1 weight 0.10000E+01 volume 0.84003E-03 ppm1 2.123 ppm2 11.184 CV 1 ASSI { 44} ( segid " A" and resid 286 and name HG1%) (( segid " A" and resid 286 and name HN )) 6.000 4.500 0.000 peak 44 spectrum 1 weight 0.10000E+01 volume 0.18308E-02 ppm1 0.798 ppm2 9.872 CV 1 ASSI { 45} ( segid " A" and resid 285 and name HB% ) (( segid " A" and resid 286 and name HN )) 6.000 4.500 0.000 peak 45 spectrum 1 weight 0.10000E+01 volume 0.20834E-02 ppm1 1.533 ppm2 9.866 CV 1 ASSI { 46} ( segid " A" and resid 286 and name HG2%) (( segid " A" and resid 286 and name HN )) 6.000 4.500 0.000 peak 46 spectrum 1 weight 0.10000E+01 volume 0.36737E-02 ppm1 0.566 ppm2 9.865 CV 1 ASSI { 47} (( segid " A" and resid 210 and name HA )) (( segid " A" and resid 211 and name HN )) 6.000 4.500 0.000 peak 47 spectrum 1 weight 0.10000E+01 volume 0.16893E-02 ppm1 5.765 ppm2 9.550 CV 1 ASSI { 48} ( segid " A" and resid 211 and name HG2%) (( segid " A" and resid 211 and name HN )) 6.000 4.500 0.000 peak 48 spectrum 1 weight 0.10000E+01 volume 0.14784E-02 ppm1 0.978 ppm2 9.554 CV 1 ASSI { 49} (( segid " A" and resid 138 and name HA )) (( segid " A" and resid 139 and name HN )) 6.000 4.500 0.000 peak 49 spectrum 1 weight 0.10000E+01 volume 0.20177E-02 ppm1 3.773 ppm2 9.526 CV 1 ASSI { 50} (( segid " A" and resid 160 and name HA )) (( segid " A" and resid 139 and name HN )) 6.000 4.500 0.000 peak 50 spectrum 1 weight 0.10000E+01 volume 0.13146E-02 ppm1 5.127 ppm2 9.519 CV 1 ASSI { 51} (( segid " A" and resid 139 and name HA )) (( segid " A" and resid 139 and name HN )) 6.000 4.500 0.000 peak 51 spectrum 1 weight 0.10000E+01 volume 0.83910E-03 ppm1 4.334 ppm2 9.524 CV 1 ASSI { 52} (( segid " A" and resid 139 and name HB2 )) (( segid " A" and resid 139 and name HN )) 6.000 4.500 0.000 peak 52 spectrum 1 weight 0.10000E+01 volume 0.14950E-02 ppm1 1.543 ppm2 9.523 CV 1 ASSI { 53} (( segid " A" and resid 139 and name HB1 )) (( segid " A" and resid 139 and name HN )) 6.000 4.500 0.000 peak 53 spectrum 1 weight 0.10000E+01 volume 0.13220E-02 ppm1 1.431 ppm2 9.522 CV 1 ASSI { 54} (( segid " A" and resid 163 and name HB1 )) (( segid " A" and resid 164 and name HN )) 6.000 4.500 0.000 peak 54 spectrum 1 weight 0.10000E+01 volume 0.85483E-03 ppm1 1.711 ppm2 9.511 CV 1 ASSI { 55} (( segid " A" and resid 163 and name HG1 )) (( segid " A" and resid 164 and name HN )) 6.000 4.500 0.000 peak 55 spectrum 1 weight 0.10000E+01 volume 0.90571E-03 ppm1 2.008 ppm2 9.516 CV 1 ASSI { 56} (( segid " A" and resid 139 and name HG2 )) (( segid " A" and resid 139 and name HN )) 6.000 4.500 0.000 peak 56 spectrum 1 weight 0.10000E+01 volume 0.10713E-02 ppm1 1.397 ppm2 9.517 CV 1 ASSI { 57} (( segid " A" and resid 139 and name HG1 )) (( segid " A" and resid 139 and name HN )) 6.000 4.500 0.000 peak 57 spectrum 1 weight 0.10000E+01 volume 0.97880E-03 ppm1 1.306 ppm2 9.532 CV 1 ASSI { 58} ( segid " A" and resid 138 and name HG2%) (( segid " A" and resid 139 and name HN )) 6.000 4.500 0.000 peak 58 spectrum 1 weight 0.10000E+01 volume 0.24969E-02 ppm1 0.552 ppm2 9.525 CV 1 ASSI { 59} (( segid " A" and resid 164 and name HA )) (( segid " A" and resid 164 and name HN )) 6.000 4.500 0.000 peak 59 spectrum 1 weight 0.10000E+01 volume 0.11268E-02 ppm1 3.331 ppm2 9.492 CV 1 ASSI { 60} ( segid " A" and resid 162 and name HG1%) (( segid " A" and resid 164 and name HN )) 6.000 4.500 0.000 peak 60 spectrum 1 weight 0.10000E+01 volume 0.20492E-02 ppm1 1.081 ppm2 9.494 CV 1 OR { 60} ( segid " A" and resid 287 and name HG2%) (( segid " A" and resid 164 and name HN )) ASSI { 61} ( segid " A" and resid 162 and name HG2%) (( segid " A" and resid 164 and name HN )) 6.000 4.500 0.000 peak 61 spectrum 1 weight 0.10000E+01 volume 0.22749E-02 ppm1 0.795 ppm2 9.487 CV 1 ASSI { 62} ( segid " A" and resid 286 and name HG2%) (( segid " A" and resid 164 and name HN )) 6.000 4.500 0.000 peak 62 spectrum 1 weight 0.10000E+01 volume 0.14192E-02 ppm1 0.565 ppm2 9.487 CV 1 ASSI { 63} (( segid " A" and resid 221 and name HB2 )) (( segid " A" and resid 221 and name HN )) 6.000 4.500 0.000 peak 63 spectrum 1 weight 0.10000E+01 volume 0.11722E-02 ppm1 4.230 ppm2 9.370 CV 1 ASSI { 64} (( segid " A" and resid 221 and name HB1 )) (( segid " A" and resid 221 and name HN )) 6.000 4.500 0.000 peak 64 spectrum 1 weight 0.10000E+01 volume 0.15006E-02 ppm1 3.979 ppm2 9.361 CV 1 ASSI { 65} ( segid " A" and resid 220 and name HD1%) (( segid " A" and resid 221 and name HN )) 6.000 4.500 0.000 peak 65 spectrum 1 weight 0.10000E+01 volume 0.20705E-02 ppm1 0.715 ppm2 9.374 CV 1 ASSI { 66} (( segid " A" and resid 234 and name HA )) (( segid " A" and resid 235 and name HN )) 6.000 4.500 0.000 peak 66 spectrum 1 weight 0.10000E+01 volume 0.35414E-02 ppm1 4.280 ppm2 9.310 CV 1 ASSI { 67} (( segid " A" and resid 224 and name HB1 )) (( segid " A" and resid 221 and name HN )) 6.000 4.500 0.000 peak 67 spectrum 1 weight 0.10000E+01 volume 0.85390E-03 ppm1 3.014 ppm2 9.352 CV 1 ASSI { 68} (( segid " A" and resid 235 and name HB )) (( segid " A" and resid 235 and name HN )) 6.000 4.500 0.000 peak 68 spectrum 1 weight 0.10000E+01 volume 0.20205E-02 ppm1 1.618 ppm2 9.307 CV 1 ASSI { 69} (( segid " A" and resid 234 and name HB1 )) (( segid " A" and resid 235 and name HN )) 6.000 4.500 0.000 peak 69 spectrum 1 weight 0.10000E+01 volume 0.15413E-02 ppm1 1.797 ppm2 9.310 CV 1 OR { 69} (( segid " A" and resid 234 and name HB2 )) (( segid " A" and resid 235 and name HN )) ASSI { 70} (( segid " A" and resid 234 and name HG2 )) (( segid " A" and resid 235 and name HN )) 6.000 4.500 0.000 peak 70 spectrum 1 weight 0.10000E+01 volume 0.10362E-02 ppm1 1.502 ppm2 9.305 CV 1 ASSI { 71} (( segid " A" and resid 234 and name HG1 )) (( segid " A" and resid 235 and name HN )) 6.000 4.500 0.000 peak 71 spectrum 1 weight 0.10000E+01 volume 0.11425E-02 ppm1 1.401 ppm2 9.305 CV 1 ASSI { 72} ( segid " A" and resid 235 and name HG2%) (( segid " A" and resid 235 and name HN )) 6.000 4.500 0.000 peak 72 spectrum 1 weight 0.10000E+01 volume 0.13313E-02 ppm1 0.586 ppm2 9.303 CV 1 ASSI { 73} ( segid " A" and resid 235 and name HD1%) (( segid " A" and resid 235 and name HN )) 6.000 4.500 0.000 peak 73 spectrum 1 weight 0.10000E+01 volume 0.96307E-03 ppm1 0.696 ppm2 9.308 CV 1 ASSI { 74} (( segid " A" and resid 221 and name HB2 )) (( segid " A" and resid 222 and name HN )) 6.000 4.500 0.000 peak 74 spectrum 1 weight 0.10000E+01 volume 0.14062E-02 ppm1 4.229 ppm2 9.275 CV 1 ASSI { 75} (( segid " A" and resid 235 and name HA )) (( segid " A" and resid 235 and name HN )) 6.000 4.500 0.000 peak 75 spectrum 1 weight 0.10000E+01 volume 0.89276E-03 ppm1 4.079 ppm2 9.296 CV 1 ASSI { 76} (( segid " A" and resid 222 and name HA )) (( segid " A" and resid 222 and name HN )) 6.000 4.500 0.000 peak 76 spectrum 1 weight 0.10000E+01 volume 0.11111E-02 ppm1 3.729 ppm2 9.278 CV 1 ASSI { 77} (( segid " A" and resid 222 and name HB1 )) (( segid " A" and resid 222 and name HN )) 6.000 4.500 0.000 peak 77 spectrum 1 weight 0.10000E+01 volume 0.11703E-02 ppm1 2.666 ppm2 9.275 CV 1 ASSI { 78} (( segid " A" and resid 222 and name HB2 )) (( segid " A" and resid 222 and name HN )) 6.000 4.500 0.000 peak 78 spectrum 1 weight 0.10000E+01 volume 0.81967E-03 ppm1 2.608 ppm2 9.271 CV 1 ASSI { 79} (( segid " A" and resid 230 and name HG1 )) (( segid " A" and resid 235 and name HN )) 6.000 4.500 0.000 peak 79 spectrum 1 weight 0.10000E+01 volume 0.14543E-02 ppm1 2.579 ppm2 9.297 CV 1 OR { 79} (( segid " A" and resid 230 and name HG2 )) (( segid " A" and resid 235 and name HN )) ASSI { 80} ( segid " A" and resid 240 and name HD1%) (( segid " A" and resid 222 and name HN )) 6.000 4.500 0.000 peak 80 spectrum 1 weight 0.10000E+01 volume 0.16144E-02 ppm1 -0.070 ppm2 9.277 CV 1 ASSI { 81} (( segid " A" and resid 221 and name HB1 )) (( segid " A" and resid 222 and name HN )) 6.000 4.500 0.000 peak 81 spectrum 1 weight 0.10000E+01 volume 0.18336E-02 ppm1 3.977 ppm2 9.268 CV 1 ASSI { 82} (( segid " A" and resid 272 and name HA )) (( segid " A" and resid 272 and name HN )) 6.000 4.500 0.000 peak 82 spectrum 1 weight 0.10000E+01 volume 0.20594E-02 ppm1 3.909 ppm2 9.251 CV 1 ASSI { 83} (( segid " A" and resid 272 and name HG )) (( segid " A" and resid 272 and name HN )) 6.000 4.500 0.000 peak 83 spectrum 1 weight 0.10000E+01 volume 0.92606E-03 ppm1 1.526 ppm2 9.252 CV 1 ASSI { 84} ( segid " A" and resid 280 and name HD1%) (( segid " A" and resid 280 and name HN )) 6.000 4.500 0.000 peak 84 spectrum 1 weight 0.10000E+01 volume 0.16865E-02 ppm1 1.067 ppm2 9.260 CV 1 ASSI { 85} (( segid " A" and resid 280 and name HG )) (( segid " A" and resid 280 and name HN )) 6.000 4.500 0.000 peak 85 spectrum 1 weight 0.10000E+01 volume 0.12795E-02 ppm1 2.271 ppm2 9.254 CV 1 ASSI { 86} ( segid " A" and resid 272 and name HD1%) (( segid " A" and resid 272 and name HN )) 6.000 4.500 0.000 peak 86 spectrum 1 weight 0.10000E+01 volume 0.85390E-03 ppm1 0.820 ppm2 9.251 CV 1 ASSI { 87} ( segid " A" and resid 280 and name HD2%) (( segid " A" and resid 280 and name HN )) 6.000 4.500 0.000 peak 87 spectrum 1 weight 0.10000E+01 volume 0.17522E-02 ppm1 0.888 ppm2 9.257 CV 1 ASSI { 88} ( segid " A" and resid 282 and name HG1%) (( segid " A" and resid 272 and name HN )) 6.000 4.500 0.000 peak 88 spectrum 1 weight 0.10000E+01 volume 0.18392E-02 ppm1 0.992 ppm2 9.243 CV 1 OR { 88} ( segid " A" and resid 282 and name HG1%) (( segid " A" and resid 280 and name HN )) ASSI { 89} ( segid " A" and resid 272 and name HD2%) (( segid " A" and resid 272 and name HN )) 6.000 4.500 0.000 peak 89 spectrum 1 weight 0.10000E+01 volume 0.37468E-02 ppm1 0.716 ppm2 9.249 CV 1 ASSI { 90} (( segid " A" and resid 211 and name HA )) (( segid " A" and resid 212 and name HN )) 6.000 4.500 0.000 peak 90 spectrum 1 weight 0.10000E+01 volume 0.17707E-02 ppm1 5.103 ppm2 9.182 CV 1 ASSI { 91} (( segid " A" and resid 211 and name HB )) (( segid " A" and resid 212 and name HN )) 6.000 4.500 0.000 peak 91 spectrum 1 weight 0.10000E+01 volume 0.17180E-02 ppm1 2.007 ppm2 9.178 CV 1 ASSI { 92} ( segid " A" and resid 168 and name HD2%) (( segid " A" and resid 212 and name HN )) 6.000 4.500 0.000 peak 92 spectrum 1 weight 0.10000E+01 volume 0.76046E-03 ppm1 1.033 ppm2 9.160 CV 1 ASSI { 93} ( segid " A" and resid 211 and name HG2%) (( segid " A" and resid 212 and name HN )) 6.000 4.500 0.000 peak 93 spectrum 1 weight 0.10000E+01 volume 0.15811E-02 ppm1 0.972 ppm2 9.181 CV 1 ASSI { 94} (( segid " A" and resid 136 and name HA1 )) (( segid " A" and resid 212 and name HH )) 6.000 4.500 0.000 peak 94 spectrum 1 weight 0.10000E+01 volume 0.87241E-03 ppm1 3.952 ppm2 9.127 CV 1 ASSI { 95} (( segid " A" and resid 117 and name HA2 )) (( segid " A" and resid 117 and name HN )) 6.000 4.500 0.000 peak 95 spectrum 1 weight 0.10000E+01 volume 0.86500E-03 ppm1 3.550 ppm2 9.127 CV 1 ASSI { 96} (( segid " A" and resid 113 and name HA )) (( segid " A" and resid 114 and name HN )) 6.000 4.500 0.000 peak 96 spectrum 1 weight 0.10000E+01 volume 0.16949E-02 ppm1 5.387 ppm2 9.104 CV 1 ASSI { 97} (( segid " A" and resid 155 and name HA )) (( segid " A" and resid 156 and name HN )) 6.000 4.500 0.000 peak 97 spectrum 1 weight 0.10000E+01 volume 0.85113E-03 ppm1 5.545 ppm2 9.112 CV 1 ASSI { 98} (( segid " A" and resid 136 and name HA2 )) (( segid " A" and resid 212 and name HH )) 6.000 4.500 0.000 peak 98 spectrum 1 weight 0.10000E+01 volume 0.10482E-02 ppm1 4.097 ppm2 9.112 CV 1 ASSI { 99} (( segid " A" and resid 114 and name HB )) (( segid " A" and resid 114 and name HN )) 6.000 4.500 0.000 peak 99 spectrum 1 weight 0.10000E+01 volume 0.11361E-02 ppm1 2.113 ppm2 9.100 CV 1 ASSI { 100} (( segid " A" and resid 116 and name HB )) (( segid " A" and resid 117 and name HN )) 6.000 4.500 0.000 peak 100 spectrum 1 weight 0.10000E+01 volume 0.87333E-03 ppm1 1.581 ppm2 9.105 CV 1 ASSI { 101} ( segid " A" and resid 156 and name HB% ) (( segid " A" and resid 156 and name HN )) 6.000 4.500 0.000 peak 101 spectrum 1 weight 0.10000E+01 volume 0.11814E-02 ppm1 0.851 ppm2 9.114 CV 1 ASSI { 102} ( segid " A" and resid 214 and name HB% ) (( segid " A" and resid 212 and name HH )) 6.000 4.500 0.000 peak 102 spectrum 1 weight 0.10000E+01 volume 0.30317E-02 ppm1 1.289 ppm2 9.113 CV 1 ASSI { 103} ( segid " A" and resid 114 and name HG2%) (( segid " A" and resid 114 and name HN )) 6.000 4.500 0.000 peak 103 spectrum 1 weight 0.10000E+01 volume 0.12425E-02 ppm1 0.935 ppm2 9.102 CV 1 ASSI { 104} ( segid " A" and resid 116 and name HG2%) (( segid " A" and resid 117 and name HN )) 6.000 4.500 0.000 peak 104 spectrum 1 weight 0.10000E+01 volume 0.18179E-02 ppm1 0.727 ppm2 9.118 CV 1 ASSI { 105} ( segid " A" and resid 116 and name HG1%) (( segid " A" and resid 117 and name HN )) 6.000 4.500 0.000 peak 105 spectrum 1 weight 0.10000E+01 volume 0.11555E-02 ppm1 0.302 ppm2 9.107 CV 1 ASSI { 106} ( segid " A" and resid 114 and name HG1%) (( segid " A" and resid 114 and name HN )) 6.000 4.500 0.000 peak 106 spectrum 1 weight 0.10000E+01 volume 0.18077E-02 ppm1 0.904 ppm2 9.100 CV 1 ASSI { 107} ( segid " A" and resid 162 and name HG2%) (( segid " A" and resid 212 and name HH )) 6.000 4.500 0.000 peak 107 spectrum 1 weight 0.10000E+01 volume 0.11944E-02 ppm1 0.797 ppm2 9.099 CV 1 ASSI { 108} ( segid " A" and resid 165 and name HB% ) (( segid " A" and resid 212 and name HH )) 6.000 4.500 0.000 peak 108 spectrum 1 weight 0.10000E+01 volume 0.23332E-02 ppm1 0.667 ppm2 9.109 CV 1 ASSI { 109} (( segid " A" and resid 276 and name HA1 )) (( segid " A" and resid 276 and name HN )) 6.000 4.500 0.000 peak 109 spectrum 1 weight 0.10000E+01 volume 0.12499E-02 ppm1 3.702 ppm2 9.093 CV 1 ASSI { 110} (( segid " A" and resid 276 and name HA2 )) (( segid " A" and resid 276 and name HN )) 6.000 4.500 0.000 peak 110 spectrum 1 weight 0.10000E+01 volume 0.77527E-03 ppm1 3.621 ppm2 9.078 CV 1 ASSI { 111} ( segid " A" and resid 275 and name HD1%) (( segid " A" and resid 276 and name HN )) 6.000 4.500 0.000 peak 111 spectrum 1 weight 0.10000E+01 volume 0.14969E-02 ppm1 1.067 ppm2 9.078 CV 1 ASSI { 112} ( segid " A" and resid 119 and name HD1%) (( segid " A" and resid 156 and name HN )) 6.000 4.500 0.000 peak 112 spectrum 1 weight 0.10000E+01 volume 0.10574E-02 ppm1 0.253 ppm2 9.089 CV 1 ASSI { 114} ( segid " A" and resid 168 and name HD2%) (( segid " A" and resid 283 and name HN )) 6.000 4.500 0.000 peak 114 spectrum 1 weight 0.10000E+01 volume 0.79469E-03 ppm1 1.029 ppm2 9.054 CV 1 ASSI { 115} (( segid " A" and resid 235 and name HA )) (( segid " A" and resid 236 and name HN )) 6.000 4.500 0.000 peak 115 spectrum 1 weight 0.10000E+01 volume 0.23739E-02 ppm1 4.073 ppm2 9.021 CV 1 ASSI { 116} (( segid " A" and resid 282 and name HA )) (( segid " A" and resid 283 and name HN )) 6.000 4.500 0.000 peak 116 spectrum 1 weight 0.10000E+01 volume 0.27865E-02 ppm1 5.393 ppm2 9.032 CV 1 ASSI { 117} (( segid " A" and resid 236 and name HA )) (( segid " A" and resid 236 and name HN )) 6.000 4.500 0.000 peak 117 spectrum 1 weight 0.10000E+01 volume 0.12036E-02 ppm1 4.318 ppm2 9.029 CV 1 ASSI { 118} (( segid " A" and resid 236 and name HB1 )) (( segid " A" and resid 236 and name HN )) 6.000 4.500 0.000 peak 118 spectrum 1 weight 0.10000E+01 volume 0.18022E-02 ppm1 1.709 ppm2 9.021 CV 1 ASSI { 119} (( segid " A" and resid 236 and name HB2 )) (( segid " A" and resid 236 and name HN )) 6.000 4.500 0.000 peak 119 spectrum 1 weight 0.10000E+01 volume 0.17208E-02 ppm1 1.510 ppm2 9.014 CV 1 ASSI { 120} ( segid " A" and resid 170 and name HD2%) (( segid " A" and resid 186 and name HN )) 6.000 4.500 0.000 peak 120 spectrum 1 weight 0.10000E+01 volume 0.91959E-03 ppm1 0.818 ppm2 9.011 CV 1 OR { 120} ( segid " A" and resid 170 and name HD1%) (( segid " A" and resid 186 and name HN )) ASSI { 121} (( segid " A" and resid 236 and name HG2 )) (( segid " A" and resid 236 and name HN )) 6.000 4.500 0.000 peak 121 spectrum 1 weight 0.10000E+01 volume 0.20917E-02 ppm1 1.357 ppm2 9.020 CV 1 OR { 121} (( segid " A" and resid 236 and name HG1 )) (( segid " A" and resid 236 and name HN )) ASSI { 122} ( segid " A" and resid 168 and name HD1%) (( segid " A" and resid 283 and name HN )) 6.000 4.500 0.000 peak 122 spectrum 1 weight 0.10000E+01 volume 0.10214E-02 ppm1 0.919 ppm2 9.033 CV 1 ASSI { 123} ( segid " A" and resid 185 and name HG1%) (( segid " A" and resid 186 and name HN )) 6.000 4.500 0.000 peak 123 spectrum 1 weight 0.10000E+01 volume 0.37625E-02 ppm1 1.009 ppm2 9.032 CV 1 OR { 123} ( segid " A" and resid 282 and name HG1%) (( segid " A" and resid 283 and name HN )) ASSI { 124} ( segid " A" and resid 235 and name HG2%) (( segid " A" and resid 236 and name HN )) 6.000 4.500 0.000 peak 124 spectrum 1 weight 0.10000E+01 volume 0.24673E-02 ppm1 0.588 ppm2 9.022 CV 1 ASSI { 125} (( segid " A" and resid 215 and name HA )) (( segid " A" and resid 214 and name HN )) 6.000 4.500 0.000 peak 125 spectrum 1 weight 0.10000E+01 volume 0.10704E-02 ppm1 3.875 ppm2 8.966 CV 1 ASSI { 126} ( segid " A" and resid 114 and name HG2%) (( segid " A" and resid 186 and name HN )) 6.000 4.500 0.000 peak 126 spectrum 1 weight 0.10000E+01 volume 0.10584E-02 ppm1 0.938 ppm2 8.982 CV 1 OR { 126} ( segid " A" and resid 114 and name HG2%) (( segid " A" and resid 160 and name HN )) ASSI { 127} (( segid " A" and resid 213 and name HB )) (( segid " A" and resid 214 and name HN )) 6.000 4.500 0.000 peak 127 spectrum 1 weight 0.10000E+01 volume 0.12850E-02 ppm1 1.235 ppm2 8.952 CV 1 ASSI { 129} (( segid " A" and resid 216 and name HA )) (( segid " A" and resid 217 and name HN )) 6.000 4.500 0.000 peak 129 spectrum 1 weight 0.10000E+01 volume 0.13914E-02 ppm1 3.475 ppm2 8.930 CV 1 ASSI { 130} (( segid " A" and resid 217 and name HA )) (( segid " A" and resid 217 and name HN )) 6.000 4.500 0.000 peak 130 spectrum 1 weight 0.10000E+01 volume 0.14025E-02 ppm1 3.910 ppm2 8.945 CV 1 ASSI { 131} (( segid " A" and resid 230 and name HA )) (( segid " A" and resid 230 and name HN )) 6.000 4.500 0.000 peak 131 spectrum 1 weight 0.10000E+01 volume 0.16310E-02 ppm1 5.067 ppm2 8.923 CV 1 ASSI { 132} (( segid " A" and resid 142 and name HB1 )) (( segid " A" and resid 142 and name HN )) 6.000 4.500 0.000 peak 132 spectrum 1 weight 0.10000E+01 volume 0.19678E-02 ppm1 2.838 ppm2 8.936 CV 1 ASSI { 133} (( segid " A" and resid 142 and name HB2 )) (( segid " A" and resid 142 and name HN )) 6.000 4.500 0.000 peak 133 spectrum 1 weight 0.10000E+01 volume 0.19918E-02 ppm1 2.634 ppm2 8.932 CV 1 ASSI { 134} (( segid " A" and resid 157 and name HB1 )) (( segid " A" and resid 158 and name HN )) 6.000 4.500 0.000 peak 134 spectrum 1 weight 0.10000E+01 volume 0.81135E-03 ppm1 2.958 ppm2 8.936 CV 1 ASSI { 135} (( segid " A" and resid 230 and name HG2 )) (( segid " A" and resid 230 and name HN )) 6.000 4.500 0.000 peak 135 spectrum 1 weight 0.10000E+01 volume 0.15598E-02 ppm1 2.583 ppm2 8.933 CV 1 OR { 135} (( segid " A" and resid 230 and name HG1 )) (( segid " A" and resid 230 and name HN )) ASSI { 136} (( segid " A" and resid 217 and name HB2 )) (( segid " A" and resid 217 and name HN )) 6.000 4.500 0.000 peak 136 spectrum 1 weight 0.10000E+01 volume 0.89276E-03 ppm1 3.087 ppm2 8.930 CV 1 ASSI { 137} (( segid " A" and resid 217 and name HB1 )) (( segid " A" and resid 217 and name HN )) 6.000 4.500 0.000 peak 137 spectrum 1 weight 0.10000E+01 volume 0.82985E-03 ppm1 2.808 ppm2 8.936 CV 1 ASSI { 138} (( segid " A" and resid 125 and name HB2 )) (( segid " A" and resid 125 and name HN )) 6.000 4.500 0.000 peak 138 spectrum 1 weight 0.10000E+01 volume 0.13183E-02 ppm1 2.161 ppm2 8.929 CV 1 ASSI { 139} (( segid " A" and resid 230 and name HB1 )) (( segid " A" and resid 230 and name HN )) 6.000 4.500 0.000 peak 139 spectrum 1 weight 0.10000E+01 volume 0.28568E-02 ppm1 2.312 ppm2 8.925 CV 1 ASSI { 140} (( segid " A" and resid 230 and name HB2 )) (( segid " A" and resid 230 and name HN )) 6.000 4.500 0.000 peak 140 spectrum 1 weight 0.10000E+01 volume 0.28050E-02 ppm1 2.099 ppm2 8.930 CV 1 ASSI { 141} ( segid " A" and resid 220 and name HD2%) (( segid " A" and resid 217 and name HN )) 6.000 4.500 0.000 peak 141 spectrum 1 weight 0.10000E+01 volume 0.14173E-02 ppm1 0.925 ppm2 8.938 CV 1 ASSI { 142} ( segid " A" and resid 280 and name HD2%) (( segid " A" and resid 214 and name HN )) 6.000 4.500 0.000 peak 142 spectrum 1 weight 0.10000E+01 volume 0.13988E-02 ppm1 0.885 ppm2 8.936 CV 1 ASSI { 143} ( segid " A" and resid 214 and name HB% ) (( segid " A" and resid 214 and name HN )) 6.000 4.500 0.000 peak 143 spectrum 1 weight 0.10000E+01 volume 0.26043E-02 ppm1 1.289 ppm2 8.947 CV 1 ASSI { 144} ( segid " A" and resid 216 and name HG1%) (( segid " A" and resid 217 and name HN )) 6.000 4.500 0.000 peak 144 spectrum 1 weight 0.10000E+01 volume 0.12388E-02 ppm1 0.687 ppm2 8.939 CV 1 ASSI { 145} ( segid " A" and resid 216 and name HG2%) (( segid " A" and resid 217 and name HN )) 6.000 4.500 0.000 peak 145 spectrum 1 weight 0.10000E+01 volume 0.13896E-02 ppm1 0.387 ppm2 8.936 CV 1 OR { 145} ( segid " A" and resid 213 and name HG1%) (( segid " A" and resid 214 and name HN )) ASSI { 146} ( segid " A" and resid 213 and name HG2%) (( segid " A" and resid 214 and name HN )) 6.000 4.500 0.000 peak 146 spectrum 1 weight 0.10000E+01 volume 0.24368E-02 ppm1 0.420 ppm2 8.947 CV 1 OR { 146} ( segid " A" and resid 216 and name HG2%) (( segid " A" and resid 217 and name HN )) ASSI { 147} ( segid " A" and resid 213 and name HG1%) (( segid " A" and resid 214 and name HN )) 6.000 4.500 0.000 peak 147 spectrum 1 weight 0.10000E+01 volume 0.23702E-02 ppm1 0.359 ppm2 8.945 CV 1 ASSI { 148} ( segid " A" and resid 141 and name HG2%) (( segid " A" and resid 142 and name HN )) 6.000 4.500 0.000 peak 148 spectrum 1 weight 0.10000E+01 volume 0.33943E-02 ppm1 0.610 ppm2 8.925 CV 1 ASSI { 149} ( segid " A" and resid 235 and name HD1%) (( segid " A" and resid 230 and name HN )) 6.000 4.500 0.000 peak 149 spectrum 1 weight 0.10000E+01 volume 0.19123E-02 ppm1 0.691 ppm2 8.928 CV 1 ASSI { 150} (( segid " A" and resid 158 and name HA )) (( segid " A" and resid 158 and name HN )) 6.000 4.500 0.000 peak 150 spectrum 1 weight 0.10000E+01 volume 0.12980E-02 ppm1 4.113 ppm2 8.918 CV 1 ASSI { 151} (( segid " A" and resid 129 and name HA )) (( segid " A" and resid 129 and name HN )) 6.000 4.500 0.000 peak 151 spectrum 1 weight 0.10000E+01 volume 0.15811E-02 ppm1 3.685 ppm2 8.903 CV 1 ASSI { 152} (( segid " A" and resid 125 and name HA )) (( segid " A" and resid 125 and name HN )) 6.000 4.500 0.000 peak 152 spectrum 1 weight 0.10000E+01 volume 0.12369E-02 ppm1 3.733 ppm2 8.916 CV 1 ASSI { 153} (( segid " A" and resid 157 and name HA )) (( segid " A" and resid 158 and name HN )) 6.000 4.500 0.000 peak 153 spectrum 1 weight 0.10000E+01 volume 0.32324E-02 ppm1 5.480 ppm2 8.909 CV 1 ASSI { 154} (( segid " A" and resid 142 and name HA )) (( segid " A" and resid 142 and name HN )) 6.000 4.500 0.000 peak 154 spectrum 1 weight 0.10000E+01 volume 0.11102E-02 ppm1 5.047 ppm2 8.919 CV 1 ASSI { 155} (( segid " A" and resid 124 and name HA1 )) (( segid " A" and resid 125 and name HN )) 6.000 4.500 0.000 peak 155 spectrum 1 weight 0.10000E+01 volume 0.11268E-02 ppm1 3.945 ppm2 8.909 CV 1 ASSI { 156} (( segid " A" and resid 157 and name HB2 )) (( segid " A" and resid 158 and name HN )) 6.000 4.500 0.000 peak 156 spectrum 1 weight 0.10000E+01 volume 0.85760E-03 ppm1 2.762 ppm2 8.913 CV 1 ASSI { 157} (( segid " A" and resid 125 and name HG2 )) (( segid " A" and resid 125 and name HN )) 6.000 4.500 0.000 peak 157 spectrum 1 weight 0.10000E+01 volume 0.18077E-02 ppm1 2.239 ppm2 8.902 CV 1 OR { 157} (( segid " A" and resid 125 and name HG1 )) (( segid " A" and resid 125 and name HN )) ASSI { 158} (( segid " A" and resid 128 and name HB )) (( segid " A" and resid 129 and name HN )) 6.000 4.500 0.000 peak 158 spectrum 1 weight 0.10000E+01 volume 0.16736E-02 ppm1 2.027 ppm2 8.912 CV 1 ASSI { 159} (( segid " A" and resid 158 and name HB )) (( segid " A" and resid 158 and name HN )) 6.000 4.500 0.000 peak 159 spectrum 1 weight 0.10000E+01 volume 0.20362E-02 ppm1 1.449 ppm2 8.918 CV 1 ASSI { 160} (( segid " A" and resid 129 and name HB2 )) (( segid " A" and resid 129 and name HN )) 6.000 4.500 0.000 peak 160 spectrum 1 weight 0.10000E+01 volume 0.27088E-02 ppm1 1.966 ppm2 8.904 CV 1 ASSI { 161} (( segid " A" and resid 129 and name HB1 )) (( segid " A" and resid 129 and name HN )) 6.000 4.500 0.000 peak 161 spectrum 1 weight 0.10000E+01 volume 0.15246E-02 ppm1 1.899 ppm2 8.898 CV 1 ASSI { 162} (( segid " A" and resid 130 and name HB2 )) (( segid " A" and resid 129 and name HN )) 6.000 4.500 0.000 peak 162 spectrum 1 weight 0.10000E+01 volume 0.88073E-03 ppm1 2.184 ppm2 8.902 CV 1 OR { 162} (( segid " A" and resid 130 and name HB1 )) (( segid " A" and resid 129 and name HN )) ASSI { 163} (( segid " A" and resid 129 and name HG1 )) (( segid " A" and resid 129 and name HN )) 6.000 4.500 0.000 peak 163 spectrum 1 weight 0.10000E+01 volume 0.92421E-03 ppm1 1.545 ppm2 8.899 CV 1 OR { 163} (( segid " A" and resid 129 and name HG2 )) (( segid " A" and resid 129 and name HN )) ASSI { 164} ( segid " A" and resid 158 and name HG1%) (( segid " A" and resid 158 and name HN )) 6.000 4.500 0.000 peak 164 spectrum 1 weight 0.10000E+01 volume 0.15922E-02 ppm1 0.146 ppm2 8.908 CV 1 ASSI { 165} ( segid " A" and resid 158 and name HG2%) (( segid " A" and resid 158 and name HN )) 6.000 4.500 0.000 peak 165 spectrum 1 weight 0.10000E+01 volume 0.25229E-02 ppm1 0.045 ppm2 8.911 CV 1 ASSI { 166} ( segid " A" and resid 231 and name HB% ) (( segid " A" and resid 230 and name HN )) 6.000 4.500 0.000 peak 166 spectrum 1 weight 0.10000E+01 volume 0.74196E-03 ppm1 0.944 ppm2 8.903 CV 1 ASSI { 167} ( segid " A" and resid 128 and name HG2%) (( segid " A" and resid 129 and name HN )) 6.000 4.500 0.000 peak 167 spectrum 1 weight 0.10000E+01 volume 0.25932E-02 ppm1 0.550 ppm2 8.904 CV 1 ASSI { 168} ( segid " A" and resid 141 and name HD1%) (( segid " A" and resid 129 and name HN )) 6.000 4.500 0.000 peak 168 spectrum 1 weight 0.10000E+01 volume 0.22018E-02 ppm1 0.756 ppm2 8.904 CV 1 OR { 168} ( segid " A" and resid 141 and name HD1%) (( segid " A" and resid 142 and name HN )) ASSI { 169} ( segid " A" and resid 114 and name HG1%) (( segid " A" and resid 158 and name HN )) 6.000 4.500 0.000 peak 169 spectrum 1 weight 0.10000E+01 volume 0.17235E-02 ppm1 0.904 ppm2 8.890 CV 1 ASSI { 170} ( segid " A" and resid 235 and name HG2%) (( segid " A" and resid 256 and name HN )) 6.000 4.500 0.000 peak 170 spectrum 1 weight 0.10000E+01 volume 0.12425E-02 ppm1 0.587 ppm2 8.872 CV 1 ASSI { 171} (( segid " A" and resid 258 and name HA )) (( segid " A" and resid 259 and name HN )) 6.000 4.500 0.000 peak 171 spectrum 1 weight 0.10000E+01 volume 0.78267E-03 ppm1 4.109 ppm2 8.839 CV 1 ASSI { 172} (( segid " A" and resid 210 and name HA )) (( segid " A" and resid 257 and name HN )) 6.000 4.500 0.000 peak 172 spectrum 1 weight 0.10000E+01 volume 0.85853E-03 ppm1 5.761 ppm2 8.837 CV 1 ASSI { 173} (( segid " A" and resid 256 and name HA )) (( segid " A" and resid 256 and name HN )) 6.000 4.500 0.000 peak 173 spectrum 1 weight 0.10000E+01 volume 0.18262E-02 ppm1 5.055 ppm2 8.852 CV 1 ASSI { 174} (( segid " A" and resid 114 and name HB )) (( segid " A" and resid 115 and name HN )) 6.000 4.500 0.000 peak 174 spectrum 1 weight 0.10000E+01 volume 0.21574E-02 ppm1 2.112 ppm2 8.838 CV 1 ASSI { 175} (( segid " A" and resid 256 and name HB2 )) (( segid " A" and resid 256 and name HN )) 6.000 4.500 0.000 peak 175 spectrum 1 weight 0.10000E+01 volume 0.96677E-03 ppm1 1.803 ppm2 8.841 CV 1 ASSI { 176} (( segid " A" and resid 256 and name HB1 )) (( segid " A" and resid 256 and name HN )) 6.000 4.500 0.000 peak 176 spectrum 1 weight 0.10000E+01 volume 0.83633E-03 ppm1 2.192 ppm2 8.850 CV 1 ASSI { 177} ( segid " A" and resid 114 and name HG2%) (( segid " A" and resid 115 and name HN )) 6.000 4.500 0.000 peak 177 spectrum 1 weight 0.10000E+01 volume 0.21361E-02 ppm1 0.937 ppm2 8.833 CV 1 ASSI { 178} ( segid " A" and resid 185 and name HG1%) (( segid " A" and resid 115 and name HN )) 6.000 4.500 0.000 peak 178 spectrum 1 weight 0.10000E+01 volume 0.99637E-03 ppm1 1.003 ppm2 8.838 CV 1 ASSI { 179} ( segid " A" and resid 255 and name HG2%) (( segid " A" and resid 256 and name HN )) 6.000 4.500 0.000 peak 179 spectrum 1 weight 0.10000E+01 volume 0.21334E-02 ppm1 0.233 ppm2 8.847 CV 1 ASSI { 180} (( segid " A" and resid 259 and name HE1 )) (( segid " A" and resid 259 and name HN )) 6.000 4.500 0.000 peak 180 spectrum 1 weight 0.10000E+01 volume 0.73549E-03 ppm1 3.069 ppm2 8.814 CV 1 OR { 180} (( segid " A" and resid 259 and name HE2 )) (( segid " A" and resid 259 and name HN )) ASSI { 181} (( segid " A" and resid 257 and name HB1 )) (( segid " A" and resid 259 and name HN )) 6.000 4.500 0.000 peak 181 spectrum 1 weight 0.10000E+01 volume 0.10787E-02 ppm1 2.771 ppm2 8.820 CV 1 ASSI { 182} (( segid " A" and resid 115 and name HB1 )) (( segid " A" and resid 115 and name HN )) 6.000 4.500 0.000 peak 182 spectrum 1 weight 0.10000E+01 volume 0.10399E-02 ppm1 2.481 ppm2 8.829 CV 1 ASSI { 183} (( segid " A" and resid 258 and name HG2 )) (( segid " A" and resid 259 and name HN )) 6.000 4.500 0.000 peak 183 spectrum 1 weight 0.10000E+01 volume 0.10288E-02 ppm1 2.145 ppm2 8.826 CV 1 ASSI { 184} (( segid " A" and resid 259 and name HB1 )) (( segid " A" and resid 259 and name HN )) 6.000 4.500 0.000 peak 184 spectrum 1 weight 0.10000E+01 volume 0.75676E-03 ppm1 2.028 ppm2 8.818 CV 1 ASSI { 185} (( segid " A" and resid 259 and name HB2 )) (( segid " A" and resid 259 and name HN )) 6.000 4.500 0.000 peak 185 spectrum 1 weight 0.10000E+01 volume 0.11592E-02 ppm1 1.910 ppm2 8.815 CV 1 ASSI { 186} (( segid " A" and resid 258 and name HB1 )) (( segid " A" and resid 259 and name HN )) 6.000 4.500 0.000 peak 186 spectrum 1 weight 0.10000E+01 volume 0.12277E-02 ppm1 2.217 ppm2 8.820 CV 1 ASSI { 187} (( segid " A" and resid 259 and name HD2 )) (( segid " A" and resid 259 and name HN )) 6.000 4.500 0.000 peak 187 spectrum 1 weight 0.10000E+01 volume 0.11610E-02 ppm1 1.776 ppm2 8.815 CV 1 OR { 187} (( segid " A" and resid 259 and name HD1 )) (( segid " A" and resid 259 and name HN )) ASSI { 188} (( segid " A" and resid 259 and name HG1 )) (( segid " A" and resid 259 and name HN )) 6.000 4.500 0.000 peak 188 spectrum 1 weight 0.10000E+01 volume 0.11166E-02 ppm1 1.598 ppm2 8.820 CV 1 ASSI { 189} (( segid " A" and resid 259 and name HG2 )) (( segid " A" and resid 259 and name HN )) 6.000 4.500 0.000 peak 189 spectrum 1 weight 0.10000E+01 volume 0.90571E-03 ppm1 1.502 ppm2 8.825 CV 1 ASSI { 191} (( segid " A" and resid 138 and name HA )) (( segid " A" and resid 138 and name HN )) 6.000 4.500 0.000 peak 191 spectrum 1 weight 0.10000E+01 volume 0.88258E-03 ppm1 3.777 ppm2 8.776 CV 1 ASSI { 192} (( segid " A" and resid 254 and name HA )) (( segid " A" and resid 255 and name HN )) 6.000 4.500 0.000 peak 192 spectrum 1 weight 0.10000E+01 volume 0.22407E-02 ppm1 5.755 ppm2 8.784 CV 1 ASSI { 193} (( segid " A" and resid 252 and name HA )) (( segid " A" and resid 253 and name HN )) 6.000 4.500 0.000 peak 193 spectrum 1 weight 0.10000E+01 volume 0.14765E-02 ppm1 5.635 ppm2 8.790 CV 1 ASSI { 194} (( segid " A" and resid 253 and name HA2 )) (( segid " A" and resid 253 and name HN )) 6.000 4.500 0.000 peak 194 spectrum 1 weight 0.10000E+01 volume 0.80765E-03 ppm1 4.110 ppm2 8.794 CV 1 ASSI { 195} (( segid " A" and resid 252 and name HB2 )) (( segid " A" and resid 253 and name HN )) 6.000 4.500 0.000 peak 195 spectrum 1 weight 0.10000E+01 volume 0.95474E-03 ppm1 3.049 ppm2 8.789 CV 1 ASSI { 196} (( segid " A" and resid 255 and name HB )) (( segid " A" and resid 255 and name HN )) 6.000 4.500 0.000 peak 196 spectrum 1 weight 0.10000E+01 volume 0.92976E-03 ppm1 1.259 ppm2 8.791 CV 1 ASSI { 197} (( segid " A" and resid 138 and name HB )) (( segid " A" and resid 138 and name HN )) 6.000 4.500 0.000 peak 197 spectrum 1 weight 0.10000E+01 volume 0.19918E-02 ppm1 1.659 ppm2 8.783 CV 1 ASSI { 198} (( segid " A" and resid 137 and name HB1 )) (( segid " A" and resid 138 and name HN )) 6.000 4.500 0.000 peak 198 spectrum 1 weight 0.10000E+01 volume 0.12702E-02 ppm1 2.370 ppm2 8.776 CV 1 OR { 198} (( segid " A" and resid 137 and name HB1 )) (( segid " A" and resid 161 and name HN )) ASSI { 199} (( segid " A" and resid 138 and name HG12)) (( segid " A" and resid 138 and name HN )) 6.000 4.500 0.000 peak 199 spectrum 1 weight 0.10000E+01 volume 0.86315E-03 ppm1 1.923 ppm2 8.789 CV 1 ASSI { 200} ( segid " A" and resid 214 and name HB% ) (( segid " A" and resid 253 and name HN )) 6.000 4.500 0.000 peak 200 spectrum 1 weight 0.10000E+01 volume 0.82245E-03 ppm1 1.287 ppm2 8.793 CV 1 ASSI { 201} ( segid " A" and resid 240 and name HD2%) (( segid " A" and resid 253 and name HN )) 6.000 4.500 0.000 peak 201 spectrum 1 weight 0.10000E+01 volume 0.97417E-03 ppm1 0.100 ppm2 8.786 CV 1 ASSI { 202} ( segid " A" and resid 213 and name HG2%) (( segid " A" and resid 253 and name HN )) 6.000 4.500 0.000 peak 202 spectrum 1 weight 0.10000E+01 volume 0.14876E-02 ppm1 0.421 ppm2 8.785 CV 1 ASSI { 203} ( segid " A" and resid 213 and name HG1%) (( segid " A" and resid 253 and name HN )) 6.000 4.500 0.000 peak 203 spectrum 1 weight 0.10000E+01 volume 0.13581E-02 ppm1 0.358 ppm2 8.790 CV 1 ASSI { 204} ( segid " A" and resid 138 and name HG2%) (( segid " A" and resid 138 and name HN )) 6.000 4.500 0.000 peak 204 spectrum 1 weight 0.10000E+01 volume 0.18891E-02 ppm1 0.551 ppm2 8.784 CV 1 ASSI { 205} ( segid " A" and resid 138 and name HD1%) (( segid " A" and resid 138 and name HN )) 6.000 4.500 0.000 peak 205 spectrum 1 weight 0.10000E+01 volume 0.15487E-02 ppm1 0.778 ppm2 8.783 CV 1 ASSI { 206} ( segid " A" and resid 255 and name HD1%) (( segid " A" and resid 255 and name HN )) 6.000 4.500 0.000 peak 206 spectrum 1 weight 0.10000E+01 volume 0.84835E-03 ppm1 -0.112 ppm2 8.780 CV 1 ASSI { 207} (( segid " A" and resid 160 and name HA )) (( segid " A" and resid 161 and name HN )) 6.000 4.500 0.000 peak 207 spectrum 1 weight 0.10000E+01 volume 0.20464E-02 ppm1 5.123 ppm2 8.766 CV 1 ASSI { 208} (( segid " A" and resid 161 and name HA )) (( segid " A" and resid 161 and name HN )) 6.000 4.500 0.000 peak 208 spectrum 1 weight 0.10000E+01 volume 0.13415E-02 ppm1 4.226 ppm2 8.761 CV 1 ASSI { 209} (( segid " A" and resid 161 and name HG1 )) (( segid " A" and resid 161 and name HN )) 6.000 4.500 0.000 peak 209 spectrum 1 weight 0.10000E+01 volume 0.15922E-02 ppm1 2.277 ppm2 8.757 CV 1 OR { 209} (( segid " A" and resid 161 and name HG2 )) (( segid " A" and resid 161 and name HN )) ASSI { 210} (( segid " A" and resid 161 and name HB2 )) (( segid " A" and resid 161 and name HN )) 6.000 4.500 0.000 peak 210 spectrum 1 weight 0.10000E+01 volume 0.14506E-02 ppm1 2.236 ppm2 8.762 CV 1 ASSI { 211} (( segid " A" and resid 137 and name HB2 )) (( segid " A" and resid 138 and name HN )) 6.000 4.500 0.000 peak 211 spectrum 1 weight 0.10000E+01 volume 0.11740E-02 ppm1 2.068 ppm2 8.764 CV 1 ASSI { 212} (( segid " A" and resid 161 and name HB1 )) (( segid " A" and resid 161 and name HN )) 6.000 4.500 0.000 peak 212 spectrum 1 weight 0.10000E+01 volume 0.14432E-02 ppm1 1.999 ppm2 8.760 CV 1 ASSI { 213} (( segid " A" and resid 137 and name HG1 )) (( segid " A" and resid 161 and name HN )) 6.000 4.500 0.000 peak 213 spectrum 1 weight 0.10000E+01 volume 0.97695E-03 ppm1 2.304 ppm2 8.767 CV 1 OR { 213} (( segid " A" and resid 137 and name HG1 )) (( segid " A" and resid 138 and name HN )) ASSI { 214} ( segid " A" and resid 162 and name HG2%) (( segid " A" and resid 161 and name HN )) 6.000 4.500 0.000 peak 214 spectrum 1 weight 0.10000E+01 volume 0.13128E-02 ppm1 0.798 ppm2 8.765 CV 1 ASSI { 215} ( segid " A" and resid 165 and name HB% ) (( segid " A" and resid 161 and name HN )) 6.000 4.500 0.000 peak 215 spectrum 1 weight 0.10000E+01 volume 0.77619E-03 ppm1 0.665 ppm2 8.745 CV 1 ASSI { 216} (( segid " A" and resid 281 and name HA )) (( segid " A" and resid 282 and name HN )) 6.000 4.500 0.000 peak 216 spectrum 1 weight 0.10000E+01 volume 0.20122E-02 ppm1 5.290 ppm2 8.699 CV 1 ASSI { 217} (( segid " A" and resid 282 and name HB )) (( segid " A" and resid 282 and name HN )) 6.000 4.500 0.000 peak 217 spectrum 1 weight 0.10000E+01 volume 0.15302E-02 ppm1 1.794 ppm2 8.702 CV 1 ASSI { 218} ( segid " A" and resid 168 and name HD2%) (( segid " A" and resid 282 and name HN )) 6.000 4.500 0.000 peak 218 spectrum 1 weight 0.10000E+01 volume 0.91311E-03 ppm1 1.027 ppm2 8.691 CV 1 ASSI { 219} ( segid " A" and resid 282 and name HG1%) (( segid " A" and resid 282 and name HN )) 6.000 4.500 0.000 peak 219 spectrum 1 weight 0.10000E+01 volume 0.28198E-02 ppm1 0.993 ppm2 8.689 CV 1 OR { 219} ( segid " A" and resid 282 and name HG2%) (( segid " A" and resid 282 and name HN )) ASSI { 220} ( segid " A" and resid 272 and name HD2%) (( segid " A" and resid 282 and name HN )) 6.000 4.500 0.000 peak 220 spectrum 1 weight 0.10000E+01 volume 0.72993E-03 ppm1 0.713 ppm2 8.697 CV 1 ASSI { 221} (( segid " A" and resid 198 and name HA )) (( segid " A" and resid 199 and name HN )) 6.000 4.500 0.000 peak 221 spectrum 1 weight 0.10000E+01 volume 0.90571E-03 ppm1 3.566 ppm2 8.659 CV 1 OR { 221} (( segid " A" and resid 198 and name HA )) (( segid " A" and resid 201 and name HN )) ASSI { 223} (( segid " A" and resid 158 and name HA )) (( segid " A" and resid 159 and name HN )) 6.000 4.500 0.000 peak 223 spectrum 1 weight 0.10000E+01 volume 0.15579E-02 ppm1 4.109 ppm2 8.660 CV 1 ASSI { 224} (( segid " A" and resid 135 and name HA )) (( segid " A" and resid 133 and name HN )) 6.000 4.500 0.000 peak 224 spectrum 1 weight 0.10000E+01 volume 0.91496E-03 ppm1 3.893 ppm2 8.665 CV 1 OR { 224} (( segid " A" and resid 215 and name HA )) (( segid " A" and resid 133 and name HN )) ASSI { 225} (( segid " A" and resid 134 and name HD2 )) (( segid " A" and resid 133 and name HN )) 6.000 4.500 0.000 peak 225 spectrum 1 weight 0.10000E+01 volume 0.74751E-03 ppm1 3.106 ppm2 8.663 CV 1 ASSI { 226} (( segid " A" and resid 199 and name HB2 )) (( segid " A" and resid 199 and name HN )) 6.000 4.500 0.000 peak 226 spectrum 1 weight 0.10000E+01 volume 0.21204E-02 ppm1 2.711 ppm2 8.659 CV 1 ASSI { 227} (( segid " A" and resid 198 and name HB )) (( segid " A" and resid 199 and name HN )) 6.000 4.500 0.000 peak 227 spectrum 1 weight 0.10000E+01 volume 0.12147E-02 ppm1 2.013 ppm2 8.656 CV 1 ASSI { 228} (( segid " A" and resid 159 and name HB2 )) (( segid " A" and resid 159 and name HN )) 6.000 4.500 0.000 peak 228 spectrum 1 weight 0.10000E+01 volume 0.79284E-03 ppm1 2.063 ppm2 8.682 CV 1 ASSI { 229} ( segid " A" and resid 158 and name HG1%) (( segid " A" and resid 159 and name HN )) 6.000 4.500 0.000 peak 229 spectrum 1 weight 0.10000E+01 volume 0.12499E-02 ppm1 0.147 ppm2 8.661 CV 1 ASSI { 230} ( segid " A" and resid 131 and name HB% ) (( segid " A" and resid 133 and name HN )) 6.000 4.500 0.000 peak 230 spectrum 1 weight 0.10000E+01 volume 0.79654E-03 ppm1 1.462 ppm2 8.671 CV 1 ASSI { 231} ( segid " A" and resid 197 and name HG2%) (( segid " A" and resid 201 and name HN )) 6.000 4.500 0.000 peak 231 spectrum 1 weight 0.10000E+01 volume 0.13091E-02 ppm1 0.898 ppm2 8.657 CV 1 OR { 231} ( segid " A" and resid 197 and name HG2%) (( segid " A" and resid 199 and name HN )) ASSI { 232} ( segid " A" and resid 133 and name HB% ) (( segid " A" and resid 133 and name HN )) 6.000 4.500 0.000 peak 232 spectrum 1 weight 0.10000E+01 volume 0.57303E-02 ppm1 1.628 ppm2 8.656 CV 1 ASSI { 233} ( segid " A" and resid 138 and name HG2%) (( segid " A" and resid 159 and name HN )) 6.000 4.500 0.000 peak 233 spectrum 1 weight 0.10000E+01 volume 0.10232E-02 ppm1 0.549 ppm2 8.677 CV 1 ASSI { 234} ( segid " A" and resid 198 and name HG2%) (( segid " A" and resid 199 and name HN )) 6.000 4.500 0.000 peak 234 spectrum 1 weight 0.10000E+01 volume 0.19733E-02 ppm1 0.942 ppm2 8.658 CV 1 ASSI { 235} (( segid " A" and resid 239 and name HB )) (( segid " A" and resid 240 and name HN )) 6.000 4.500 0.000 peak 235 spectrum 1 weight 0.10000E+01 volume 0.12998E-02 ppm1 3.951 ppm2 8.636 CV 1 ASSI { 236} (( segid " A" and resid 129 and name HA )) (( segid " A" and resid 133 and name HN )) 6.000 4.500 0.000 peak 236 spectrum 1 weight 0.10000E+01 volume 0.97417E-03 ppm1 3.680 ppm2 8.649 CV 1 ASSI { 237} (( segid " A" and resid 239 and name HA )) (( segid " A" and resid 240 and name HN )) 6.000 4.500 0.000 peak 237 spectrum 1 weight 0.10000E+01 volume 0.17420E-02 ppm1 4.894 ppm2 8.631 CV 1 ASSI { 238} (( segid " A" and resid 200 and name HA )) (( segid " A" and resid 201 and name HN )) 6.000 4.500 0.000 peak 238 spectrum 1 weight 0.10000E+01 volume 0.11037E-02 ppm1 4.146 ppm2 8.637 CV 1 ASSI { 239} (( segid " A" and resid 201 and name HA )) (( segid " A" and resid 201 and name HN )) 6.000 4.500 0.000 peak 239 spectrum 1 weight 0.10000E+01 volume 0.10824E-02 ppm1 3.994 ppm2 8.636 CV 1 ASSI { 240} (( segid " A" and resid 199 and name HA )) (( segid " A" and resid 199 and name HN )) 6.000 4.500 0.000 peak 240 spectrum 1 weight 0.10000E+01 volume 0.12517E-02 ppm1 4.419 ppm2 8.643 CV 1 ASSI { 241} (( segid " A" and resid 284 and name HA )) (( segid " A" and resid 284 and name HN )) 6.000 4.500 0.000 peak 241 spectrum 1 weight 0.10000E+01 volume 0.10140E-02 ppm1 4.430 ppm2 8.632 CV 1 ASSI { 242} (( segid " A" and resid 250 and name HA )) (( segid " A" and resid 250 and name HN )) 6.000 4.500 0.000 peak 242 spectrum 1 weight 0.10000E+01 volume 0.96122E-03 ppm1 4.447 ppm2 8.637 CV 1 ASSI { 243} (( segid " A" and resid 249 and name HA )) (( segid " A" and resid 250 and name HN )) 6.000 4.500 0.000 peak 243 spectrum 1 weight 0.10000E+01 volume 0.14284E-02 ppm1 5.398 ppm2 8.639 CV 1 ASSI { 244} (( segid " A" and resid 201 and name HB2 )) (( segid " A" and resid 201 and name HN )) 6.000 4.500 0.000 peak 244 spectrum 1 weight 0.10000E+01 volume 0.77712E-03 ppm1 2.142 ppm2 8.640 CV 1 ASSI { 245} (( segid " A" and resid 201 and name HB1 )) (( segid " A" and resid 201 and name HN )) 6.000 4.500 0.000 peak 245 spectrum 1 weight 0.10000E+01 volume 0.11981E-02 ppm1 1.485 ppm2 8.636 CV 1 ASSI { 246} (( segid " A" and resid 200 and name HG1 )) (( segid " A" and resid 201 and name HN )) 6.000 4.500 0.000 peak 246 spectrum 1 weight 0.10000E+01 volume 0.90386E-03 ppm1 2.566 ppm2 8.647 CV 1 OR { 246} (( segid " A" and resid 130 and name HG2 )) (( segid " A" and resid 133 and name HN )) ASSI { 247} (( segid " A" and resid 200 and name HG2 )) (( segid " A" and resid 201 and name HN )) 6.000 4.500 0.000 peak 247 spectrum 1 weight 0.10000E+01 volume 0.12776E-02 ppm1 2.371 ppm2 8.649 CV 1 ASSI { 248} (( segid " A" and resid 249 and name HB1 )) (( segid " A" and resid 250 and name HN )) 6.000 4.500 0.000 peak 248 spectrum 1 weight 0.10000E+01 volume 0.96307E-03 ppm1 3.300 ppm2 8.632 CV 1 ASSI { 249} (( segid " A" and resid 250 and name HD2 )) (( segid " A" and resid 250 and name HN )) 6.000 4.500 0.000 peak 249 spectrum 1 weight 0.10000E+01 volume 0.91034E-03 ppm1 1.838 ppm2 8.643 CV 1 ASSI { 250} (( segid " A" and resid 200 and name HB1 )) (( segid " A" and resid 201 and name HN )) 6.000 4.500 0.000 peak 250 spectrum 1 weight 0.10000E+01 volume 0.16606E-02 ppm1 2.279 ppm2 8.643 CV 1 ASSI { 251} (( segid " A" and resid 200 and name HB2 )) (( segid " A" and resid 201 and name HN )) 6.000 4.500 0.000 peak 251 spectrum 1 weight 0.10000E+01 volume 0.20677E-02 ppm1 2.203 ppm2 8.642 CV 1 ASSI { 252} (( segid " A" and resid 201 and name HG )) (( segid " A" and resid 201 and name HN )) 6.000 4.500 0.000 peak 252 spectrum 1 weight 0.10000E+01 volume 0.19604E-02 ppm1 1.877 ppm2 8.644 CV 1 ASSI { 253} (( segid " A" and resid 240 and name HG )) (( segid " A" and resid 240 and name HN )) 6.000 4.500 0.000 peak 253 spectrum 1 weight 0.10000E+01 volume 0.16107E-02 ppm1 1.148 ppm2 8.632 CV 1 ASSI { 254} ( segid " A" and resid 201 and name HD1%) (( segid " A" and resid 201 and name HN )) 6.000 4.500 0.000 peak 254 spectrum 1 weight 0.10000E+01 volume 0.20964E-02 ppm1 0.807 ppm2 8.646 CV 1 ASSI { 255} (( segid " A" and resid 250 and name HG1 )) (( segid " A" and resid 250 and name HN )) 6.000 4.500 0.000 peak 255 spectrum 1 weight 0.10000E+01 volume 0.97602E-03 ppm1 1.360 ppm2 8.648 CV 1 ASSI { 256} ( segid " A" and resid 240 and name HD1%) (( segid " A" and resid 240 and name HN )) 6.000 4.500 0.000 peak 256 spectrum 1 weight 0.10000E+01 volume 0.15644E-02 ppm1 -0.071 ppm2 8.633 CV 1 ASSI { 257} ( segid " A" and resid 168 and name HD1%) (( segid " A" and resid 284 and name HN )) 6.000 4.500 0.000 peak 257 spectrum 1 weight 0.10000E+01 volume 0.17078E-02 ppm1 0.916 ppm2 8.641 CV 1 ASSI { 258} ( segid " A" and resid 201 and name HD2%) (( segid " A" and resid 201 and name HN )) 6.000 4.500 0.000 peak 258 spectrum 1 weight 0.10000E+01 volume 0.21704E-02 ppm1 0.817 ppm2 8.642 CV 1 ASSI { 259} ( segid " A" and resid 267 and name HG2%) (( segid " A" and resid 284 and name HN )) 6.000 4.500 0.000 peak 259 spectrum 1 weight 0.10000E+01 volume 0.27643E-02 ppm1 1.008 ppm2 8.641 CV 1 ASSI { 260} ( segid " A" and resid 239 and name HG2%) (( segid " A" and resid 240 and name HN )) 6.000 4.500 0.000 peak 260 spectrum 1 weight 0.10000E+01 volume 0.31769E-02 ppm1 1.188 ppm2 8.632 CV 1 ASSI { 261} ( segid " A" and resid 240 and name HD2%) (( segid " A" and resid 240 and name HN )) 6.000 4.500 0.000 peak 261 spectrum 1 weight 0.10000E+01 volume 0.15339E-02 ppm1 0.101 ppm2 8.637 CV 1 ASSI { 262} ( segid " A" and resid 158 and name HG2%) (( segid " A" and resid 159 and name HN )) 6.000 4.500 0.000 peak 262 spectrum 1 weight 0.10000E+01 volume 0.83540E-03 ppm1 0.047 ppm2 8.645 CV 1 ASSI { 263} ( segid " A" and resid 241 and name HB% ) (( segid " A" and resid 250 and name HN )) 6.000 4.500 0.000 peak 263 spectrum 1 weight 0.10000E+01 volume 0.13803E-02 ppm1 0.794 ppm2 8.641 CV 1 ASSI { 264} ( segid " A" and resid 202 and name HB% ) (( segid " A" and resid 201 and name HN )) 6.000 4.500 0.000 peak 264 spectrum 1 weight 0.10000E+01 volume 0.16014E-02 ppm1 1.580 ppm2 8.646 CV 1 OR { 264} ( segid " A" and resid 202 and name HB% ) (( segid " A" and resid 199 and name HN )) ASSI { 265} ( segid " A" and resid 141 and name HG2%) (( segid " A" and resid 159 and name HN )) 6.000 4.500 0.000 peak 265 spectrum 1 weight 0.10000E+01 volume 0.75954E-03 ppm1 0.608 ppm2 8.639 CV 1 ASSI { 266} ( segid " A" and resid 198 and name HD1%) (( segid " A" and resid 199 and name HN )) 6.000 4.500 0.000 peak 266 spectrum 1 weight 0.10000E+01 volume 0.16144E-02 ppm1 0.776 ppm2 8.653 CV 1 OR { 266} ( segid " A" and resid 138 and name HD1%) (( segid " A" and resid 133 and name HN )) OR { 266} ( segid " A" and resid 141 and name HD1%) (( segid " A" and resid 159 and name HN )) ASSI { 267} ( segid " A" and resid 198 and name HD1%) (( segid " A" and resid 199 and name HN )) 6.000 4.500 0.000 peak 267 spectrum 1 weight 0.10000E+01 volume 0.14062E-02 ppm1 0.744 ppm2 8.649 CV 1 OR { 267} ( segid " A" and resid 141 and name HD1%) (( segid " A" and resid 159 and name HN )) ASSI { 268} ( segid " A" and resid 255 and name HD1%) (( segid " A" and resid 240 and name HN )) 6.000 4.500 0.000 peak 268 spectrum 1 weight 0.10000E+01 volume 0.76694E-03 ppm1 -0.115 ppm2 8.644 CV 1 ASSI { 269} (( segid " A" and resid 184 and name HA )) (( segid " A" and resid 185 and name HN )) 6.000 4.500 0.000 peak 269 spectrum 1 weight 0.10000E+01 volume 0.22361E-02 ppm1 4.976 ppm2 8.614 CV 1 ASSI { 270} (( segid " A" and resid 142 and name HA )) (( segid " A" and resid 143 and name HN )) 6.000 4.500 0.000 peak 270 spectrum 1 weight 0.10000E+01 volume 0.24109E-02 ppm1 5.042 ppm2 8.615 CV 1 ASSI { 271} (( segid " A" and resid 283 and name HA2 )) (( segid " A" and resid 284 and name HN )) 6.000 4.500 0.000 peak 271 spectrum 1 weight 0.10000E+01 volume 0.26866E-02 ppm1 4.057 ppm2 8.616 CV 1 ASSI { 272} (( segid " A" and resid 284 and name HE1 )) (( segid " A" and resid 284 and name HN )) 6.000 4.500 0.000 peak 272 spectrum 1 weight 0.10000E+01 volume 0.14118E-02 ppm1 3.011 ppm2 8.617 CV 1 OR { 272} (( segid " A" and resid 284 and name HE2 )) (( segid " A" and resid 284 and name HN )) ASSI { 273} (( segid " A" and resid 184 and name HB2 )) (( segid " A" and resid 185 and name HN )) 6.000 4.500 0.000 peak 273 spectrum 1 weight 0.10000E+01 volume 0.12166E-02 ppm1 1.756 ppm2 8.610 CV 1 ASSI { 274} (( segid " A" and resid 184 and name HB1 )) (( segid " A" and resid 185 and name HN )) 6.000 4.500 0.000 peak 274 spectrum 1 weight 0.10000E+01 volume 0.87241E-03 ppm1 1.614 ppm2 8.616 CV 1 ASSI { 275} (( segid " A" and resid 185 and name HB )) (( segid " A" and resid 185 and name HN )) 6.000 4.500 0.000 peak 275 spectrum 1 weight 0.10000E+01 volume 0.20362E-02 ppm1 1.905 ppm2 8.617 CV 1 ASSI { 276} (( segid " A" and resid 284 and name HB2 )) (( segid " A" and resid 284 and name HN )) 6.000 4.500 0.000 peak 276 spectrum 1 weight 0.10000E+01 volume 0.23147E-02 ppm1 2.000 ppm2 8.623 CV 1 ASSI { 277} (( segid " A" and resid 284 and name HB1 )) (( segid " A" and resid 284 and name HN )) 6.000 4.500 0.000 peak 277 spectrum 1 weight 0.10000E+01 volume 0.24294E-02 ppm1 1.854 ppm2 8.616 CV 1 ASSI { 278} (( segid " A" and resid 284 and name HD1 )) (( segid " A" and resid 284 and name HN )) 6.000 4.500 0.000 peak 278 spectrum 1 weight 0.10000E+01 volume 0.23813E-02 ppm1 1.756 ppm2 8.615 CV 1 OR { 278} (( segid " A" and resid 284 and name HD2 )) (( segid " A" and resid 284 and name HN )) ASSI { 279} (( segid " A" and resid 284 and name HG2 )) (( segid " A" and resid 284 and name HN )) 6.000 4.500 0.000 peak 279 spectrum 1 weight 0.10000E+01 volume 0.26709E-02 ppm1 1.555 ppm2 8.619 CV 1 OR { 279} (( segid " A" and resid 284 and name HG1 )) (( segid " A" and resid 284 and name HN )) ASSI { 280} (( segid " A" and resid 184 and name HG1 )) (( segid " A" and resid 185 and name HN )) 6.000 4.500 0.000 peak 280 spectrum 1 weight 0.10000E+01 volume 0.96122E-03 ppm1 1.464 ppm2 8.609 CV 1 ASSI { 281} (( segid " A" and resid 184 and name HG2 )) (( segid " A" and resid 185 and name HN )) 6.000 4.500 0.000 peak 281 spectrum 1 weight 0.10000E+01 volume 0.79932E-03 ppm1 1.378 ppm2 8.615 CV 1 ASSI { 282} ( segid " A" and resid 185 and name HG2%) (( segid " A" and resid 185 and name HN )) 6.000 4.500 0.000 peak 282 spectrum 1 weight 0.10000E+01 volume 0.31288E-02 ppm1 1.012 ppm2 8.620 CV 1 ASSI { 283} ( segid " A" and resid 267 and name HG1%) (( segid " A" and resid 284 and name HN )) 6.000 4.500 0.000 peak 283 spectrum 1 weight 0.10000E+01 volume 0.20279E-02 ppm1 0.978 ppm2 8.625 CV 1 ASSI { 284} (( segid " A" and resid 178 and name HB1 )) (( segid " A" and resid 178 and name HN )) 6.000 4.500 0.000 peak 284 spectrum 1 weight 0.10000E+01 volume 0.79839E-03 ppm1 1.590 ppm2 8.559 CV 1 ASSI { 285} (( segid " A" and resid 178 and name HB2 )) (( segid " A" and resid 178 and name HN )) 6.000 4.500 0.000 peak 285 spectrum 1 weight 0.10000E+01 volume 0.13637E-02 ppm1 1.417 ppm2 8.556 CV 1 ASSI { 286} (( segid " A" and resid 177 and name HB1 )) (( segid " A" and resid 178 and name HN )) 6.000 4.500 0.000 peak 286 spectrum 1 weight 0.10000E+01 volume 0.13183E-02 ppm1 1.927 ppm2 8.552 CV 1 ASSI { 287} (( segid " A" and resid 177 and name HB2 )) (( segid " A" and resid 178 and name HN )) 6.000 4.500 0.000 peak 287 spectrum 1 weight 0.10000E+01 volume 0.13748E-02 ppm1 1.798 ppm2 8.557 CV 1 ASSI { 288} (( segid " A" and resid 177 and name HG2 )) (( segid " A" and resid 178 and name HN )) 6.000 4.500 0.000 peak 288 spectrum 1 weight 0.10000E+01 volume 0.10537E-02 ppm1 2.322 ppm2 8.560 CV 1 OR { 288} (( segid " A" and resid 177 and name HG1 )) (( segid " A" and resid 178 and name HN )) ASSI { 290} ( segid " A" and resid 183 and name HG2%) (( segid " A" and resid 178 and name HN )) 6.000 4.500 0.000 peak 290 spectrum 1 weight 0.10000E+01 volume 0.10870E-02 ppm1 0.961 ppm2 8.568 CV 1 ASSI { 291} ( segid " A" and resid 177 and name HE% ) (( segid " A" and resid 178 and name HN )) 6.000 4.500 0.000 peak 291 spectrum 1 weight 0.10000E+01 volume 0.10399E-02 ppm1 1.943 ppm2 8.558 CV 1 ASSI { 292} (( segid " A" and resid 248 and name HA )) (( segid " A" and resid 249 and name HN )) 6.000 4.500 0.000 peak 292 spectrum 1 weight 0.10000E+01 volume 0.74659E-03 ppm1 4.438 ppm2 8.515 CV 1 ASSI { 293} ( segid " A" and resid 275 and name HD2%) (( segid " A" and resid 275 and name HN )) 6.000 4.500 0.000 peak 293 spectrum 1 weight 0.10000E+01 volume 0.87981E-03 ppm1 0.982 ppm2 8.524 CV 1 ASSI { 294} (( segid " A" and resid 248 and name HG2 )) (( segid " A" and resid 249 and name HN )) 6.000 4.500 0.000 peak 294 spectrum 1 weight 0.10000E+01 volume 0.10047E-02 ppm1 1.377 ppm2 8.514 CV 1 OR { 294} (( segid " A" and resid 248 and name HG1 )) (( segid " A" and resid 249 and name HN )) ASSI { 295} (( segid " A" and resid 204 and name HA )) (( segid " A" and resid 204 and name HN )) 6.000 4.500 0.000 peak 295 spectrum 1 weight 0.10000E+01 volume 0.37413E-02 ppm1 4.072 ppm2 8.480 CV 1 ASSI { 296} (( segid " A" and resid 274 and name HA )) (( segid " A" and resid 275 and name HN )) 6.000 4.500 0.000 peak 296 spectrum 1 weight 0.10000E+01 volume 0.24368E-02 ppm1 4.336 ppm2 8.507 CV 1 ASSI { 297} (( segid " A" and resid 241 and name HA )) (( segid " A" and resid 242 and name HN )) 6.000 4.500 0.000 peak 297 spectrum 1 weight 0.10000E+01 volume 0.46969E-02 ppm1 4.155 ppm2 8.488 CV 1 ASSI { 298} (( segid " A" and resid 277 and name HA2 )) (( segid " A" and resid 277 and name HN )) 6.000 4.500 0.000 peak 298 spectrum 1 weight 0.10000E+01 volume 0.25266E-02 ppm1 3.585 ppm2 8.482 CV 1 ASSI { 299} (( segid " A" and resid 275 and name HB2 )) (( segid " A" and resid 275 and name HN )) 6.000 4.500 0.000 peak 299 spectrum 1 weight 0.10000E+01 volume 0.89831E-03 ppm1 2.109 ppm2 8.502 CV 1 ASSI { 300} (( segid " A" and resid 204 and name HG2 )) (( segid " A" and resid 204 and name HN )) 6.000 4.500 0.000 peak 300 spectrum 1 weight 0.10000E+01 volume 0.20917E-02 ppm1 2.685 ppm2 8.487 CV 1 ASSI { 301} (( segid " A" and resid 204 and name HG1 )) (( segid " A" and resid 204 and name HN )) 6.000 4.500 0.000 peak 301 spectrum 1 weight 0.10000E+01 volume 0.20751E-02 ppm1 2.320 ppm2 8.485 CV 1 ASSI { 302} (( segid " A" and resid 242 and name HB1 )) (( segid " A" and resid 242 and name HN )) 6.000 4.500 0.000 peak 302 spectrum 1 weight 0.10000E+01 volume 0.25451E-02 ppm1 1.642 ppm2 8.486 CV 1 ASSI { 303} (( segid " A" and resid 204 and name HB2 )) (( segid " A" and resid 204 and name HN )) 6.000 4.500 0.000 peak 303 spectrum 1 weight 0.10000E+01 volume 0.14784E-02 ppm1 2.160 ppm2 8.484 CV 1 ASSI { 304} (( segid " A" and resid 204 and name HB1 )) (( segid " A" and resid 204 and name HN )) 6.000 4.500 0.000 peak 304 spectrum 1 weight 0.10000E+01 volume 0.96770E-03 ppm1 2.086 ppm2 8.495 CV 1 ASSI { 305} (( segid " A" and resid 203 and name HB2 )) (( segid " A" and resid 204 and name HN )) 6.000 4.500 0.000 peak 305 spectrum 1 weight 0.10000E+01 volume 0.27754E-02 ppm1 2.198 ppm2 8.486 CV 1 OR { 305} (( segid " A" and resid 203 and name HB1 )) (( segid " A" and resid 204 and name HN )) ASSI { 306} (( segid " A" and resid 242 and name HG1 )) (( segid " A" and resid 242 and name HN )) 6.000 4.500 0.000 peak 306 spectrum 1 weight 0.10000E+01 volume 0.15598E-02 ppm1 1.600 ppm2 8.484 CV 1 ASSI { 307} ( segid " A" and resid 275 and name HD1%) (( segid " A" and resid 275 and name HN )) 6.000 4.500 0.000 peak 307 spectrum 1 weight 0.10000E+01 volume 0.81320E-03 ppm1 1.065 ppm2 8.501 CV 1 ASSI { 308} ( segid " A" and resid 205 and name HB% ) (( segid " A" and resid 204 and name HN )) 6.000 4.500 0.000 peak 308 spectrum 1 weight 0.10000E+01 volume 0.11416E-02 ppm1 1.165 ppm2 8.484 CV 1 ASSI { 309} ( segid " A" and resid 202 and name HB% ) (( segid " A" and resid 204 and name HN )) 6.000 4.500 0.000 peak 309 spectrum 1 weight 0.10000E+01 volume 0.76046E-03 ppm1 1.580 ppm2 8.484 CV 1 ASSI { 311} (( segid " A" and resid 249 and name HA )) (( segid " A" and resid 243 and name HN )) 6.000 4.500 0.000 peak 311 spectrum 1 weight 0.10000E+01 volume 0.13711E-02 ppm1 5.394 ppm2 8.472 CV 1 ASSI { 312} (( segid " A" and resid 277 and name HA1 )) (( segid " A" and resid 277 and name HN )) 6.000 4.500 0.000 peak 312 spectrum 1 weight 0.10000E+01 volume 0.31547E-02 ppm1 4.088 ppm2 8.477 CV 1 ASSI { 313} (( segid " A" and resid 157 and name HB1 )) (( segid " A" and resid 157 and name HN )) 6.000 4.500 0.000 peak 313 spectrum 1 weight 0.10000E+01 volume 0.13600E-02 ppm1 2.967 ppm2 8.464 CV 1 ASSI { 314} (( segid " A" and resid 142 and name HB1 )) (( segid " A" and resid 157 and name HN )) 6.000 4.500 0.000 peak 314 spectrum 1 weight 0.10000E+01 volume 0.96029E-03 ppm1 2.837 ppm2 8.470 CV 1 ASSI { 315} (( segid " A" and resid 142 and name HB2 )) (( segid " A" and resid 157 and name HN )) 6.000 4.500 0.000 peak 315 spectrum 1 weight 0.10000E+01 volume 0.86685E-03 ppm1 2.638 ppm2 8.458 CV 1 ASSI { 316} (( segid " A" and resid 242 and name HB2 )) (( segid " A" and resid 242 and name HN )) 6.000 4.500 0.000 peak 316 spectrum 1 weight 0.10000E+01 volume 0.18577E-02 ppm1 1.386 ppm2 8.470 CV 1 ASSI { 317} (( segid " A" and resid 242 and name HG2 )) (( segid " A" and resid 242 and name HN )) 6.000 4.500 0.000 peak 317 spectrum 1 weight 0.10000E+01 volume 0.14044E-02 ppm1 1.347 ppm2 8.476 CV 1 ASSI { 318} ( segid " A" and resid 156 and name HB% ) (( segid " A" and resid 157 and name HN )) 6.000 4.500 0.000 peak 318 spectrum 1 weight 0.10000E+01 volume 0.27680E-02 ppm1 0.852 ppm2 8.459 CV 1 ASSI { 319} ( segid " A" and resid 141 and name HG2%) (( segid " A" and resid 157 and name HN )) 6.000 4.500 0.000 peak 319 spectrum 1 weight 0.10000E+01 volume 0.73178E-03 ppm1 0.611 ppm2 8.463 CV 1 ASSI { 320} (( segid " A" and resid 245 and name HB )) (( segid " A" and resid 245 and name HN )) 6.000 4.500 0.000 peak 320 spectrum 1 weight 0.10000E+01 volume 0.13276E-02 ppm1 4.295 ppm2 8.432 CV 1 ASSI { 321} (( segid " A" and resid 245 and name HA )) (( segid " A" and resid 245 and name HN )) 6.000 4.500 0.000 peak 321 spectrum 1 weight 0.10000E+01 volume 0.13507E-02 ppm1 4.237 ppm2 8.440 CV 1 ASSI { 322} (( segid " A" and resid 157 and name HA )) (( segid " A" and resid 116 and name HN )) 6.000 4.500 0.000 peak 322 spectrum 1 weight 0.10000E+01 volume 0.96677E-03 ppm1 5.479 ppm2 8.409 CV 1 ASSI { 323} (( segid " A" and resid 247 and name HA1 )) (( segid " A" and resid 247 and name HN )) 6.000 4.500 0.000 peak 323 spectrum 1 weight 0.10000E+01 volume 0.17790E-02 ppm1 4.245 ppm2 8.429 CV 1 ASSI { 324} (( segid " A" and resid 247 and name HA2 )) (( segid " A" and resid 247 and name HN )) 6.000 4.500 0.000 peak 324 spectrum 1 weight 0.10000E+01 volume 0.19863E-02 ppm1 3.796 ppm2 8.432 CV 1 ASSI { 325} (( segid " A" and resid 243 and name HB1 )) (( segid " A" and resid 243 and name HN )) 6.000 4.500 0.000 peak 325 spectrum 1 weight 0.10000E+01 volume 0.20547E-02 ppm1 3.175 ppm2 8.445 CV 1 ASSI { 326} (( segid " A" and resid 243 and name HB2 )) (( segid " A" and resid 243 and name HN )) 6.000 4.500 0.000 peak 326 spectrum 1 weight 0.10000E+01 volume 0.21519E-02 ppm1 2.426 ppm2 8.443 CV 1 ASSI { 327} (( segid " A" and resid 244 and name HG2 )) (( segid " A" and resid 245 and name HN )) 6.000 4.500 0.000 peak 327 spectrum 1 weight 0.10000E+01 volume 0.82892E-03 ppm1 2.091 ppm2 8.449 CV 1 ASSI { 328} ( segid " A" and resid 245 and name HG2%) (( segid " A" and resid 245 and name HN )) 6.000 4.500 0.000 peak 328 spectrum 1 weight 0.10000E+01 volume 0.19419E-02 ppm1 1.256 ppm2 8.450 CV 1 ASSI { 329} ( segid " A" and resid 246 and name HG2%) (( segid " A" and resid 247 and name HN )) 6.000 4.500 0.000 peak 329 spectrum 1 weight 0.10000E+01 volume 0.11888E-02 ppm1 1.205 ppm2 8.437 CV 1 ASSI { 330} (( segid " A" and resid 253 and name HA1 )) (( segid " A" and resid 241 and name HN )) 6.000 4.500 0.000 peak 330 spectrum 1 weight 0.10000E+01 volume 0.10963E-02 ppm1 4.051 ppm2 8.398 CV 1 ASSI { 331} ( segid " A" and resid 116 and name HG1%) (( segid " A" and resid 116 and name HN )) 6.000 4.500 0.000 peak 331 spectrum 1 weight 0.10000E+01 volume 0.11351E-02 ppm1 0.301 ppm2 8.397 CV 1 ASSI { 332} (( segid " A" and resid 226 and name HA )) (( segid " A" and resid 226 and name HN )) 6.000 4.500 0.000 peak 332 spectrum 1 weight 0.10000E+01 volume 0.13581E-02 ppm1 3.696 ppm2 8.373 CV 1 ASSI { 333} (( segid " A" and resid 225 and name HB )) (( segid " A" and resid 226 and name HN )) 6.000 4.500 0.000 peak 333 spectrum 1 weight 0.10000E+01 volume 0.17679E-02 ppm1 1.852 ppm2 8.380 CV 1 ASSI { 334} (( segid " A" and resid 226 and name HB1 )) (( segid " A" and resid 226 and name HN )) 6.000 4.500 0.000 peak 334 spectrum 1 weight 0.10000E+01 volume 0.13128E-02 ppm1 2.006 ppm2 8.387 CV 1 OR { 334} (( segid " A" and resid 226 and name HB2 )) (( segid " A" and resid 226 and name HN )) ASSI { 335} (( segid " A" and resid 226 and name HD2 )) (( segid " A" and resid 226 and name HN )) 6.000 4.500 0.000 peak 335 spectrum 1 weight 0.10000E+01 volume 0.96955E-03 ppm1 1.662 ppm2 8.392 CV 1 OR { 335} (( segid " A" and resid 226 and name HD1 )) (( segid " A" and resid 226 and name HN )) ASSI { 336} (( segid " A" and resid 181 and name HG1 )) (( segid " A" and resid 182 and name HN )) 6.000 4.500 0.000 peak 336 spectrum 1 weight 0.10000E+01 volume 0.95104E-03 ppm1 1.544 ppm2 8.380 CV 1 OR { 336} (( segid " A" and resid 225 and name HG12)) (( segid " A" and resid 226 and name HN )) OR { 336} (( segid " A" and resid 181 and name HG2 )) (( segid " A" and resid 182 and name HN )) ASSI { 337} (( segid " A" and resid 240 and name HG )) (( segid " A" and resid 241 and name HN )) 6.000 4.500 0.000 peak 337 spectrum 1 weight 0.10000E+01 volume 0.74844E-03 ppm1 1.145 ppm2 8.384 CV 1 ASSI { 338} (( segid " A" and resid 226 and name HG2 )) (( segid " A" and resid 226 and name HN )) 6.000 4.500 0.000 peak 338 spectrum 1 weight 0.10000E+01 volume 0.82060E-03 ppm1 1.355 ppm2 8.364 CV 1 OR { 338} (( segid " A" and resid 226 and name HG2 )) (( segid " A" and resid 229 and name HN )) ASSI { 339} ( segid " A" and resid 240 and name HD2%) (( segid " A" and resid 241 and name HN )) 6.000 4.500 0.000 peak 339 spectrum 1 weight 0.10000E+01 volume 0.22860E-02 ppm1 0.099 ppm2 8.377 CV 1 ASSI { 340} ( segid " A" and resid 241 and name HB% ) (( segid " A" and resid 241 and name HN )) 6.000 4.500 0.000 peak 340 spectrum 1 weight 0.10000E+01 volume 0.60282E-02 ppm1 0.793 ppm2 8.379 CV 1 ASSI { 341} ( segid " A" and resid 225 and name HG2%) (( segid " A" and resid 229 and name HN )) 6.000 4.500 0.000 peak 341 spectrum 1 weight 0.10000E+01 volume 0.17152E-02 ppm1 0.631 ppm2 8.367 CV 1 OR { 341} ( segid " A" and resid 225 and name HG2%) (( segid " A" and resid 226 and name HN )) ASSI { 342} (( segid " A" and resid 229 and name HA )) (( segid " A" and resid 229 and name HN )) 6.000 4.500 0.000 peak 342 spectrum 1 weight 0.10000E+01 volume 0.15663E-02 ppm1 4.207 ppm2 8.339 CV 1 ASSI { 343} (( segid " A" and resid 226 and name HA )) (( segid " A" and resid 229 and name HN )) 6.000 4.500 0.000 peak 343 spectrum 1 weight 0.10000E+01 volume 0.17494E-02 ppm1 3.686 ppm2 8.335 CV 1 ASSI { 344} (( segid " A" and resid 264 and name HA )) (( segid " A" and resid 265 and name HN )) 6.000 4.500 0.000 peak 344 spectrum 1 weight 0.10000E+01 volume 0.11796E-02 ppm1 3.961 ppm2 8.340 CV 1 ASSI { 345} (( segid " A" and resid 265 and name HB1 )) (( segid " A" and resid 265 and name HN )) 6.000 4.500 0.000 peak 345 spectrum 1 weight 0.10000E+01 volume 0.14395E-02 ppm1 2.781 ppm2 8.336 CV 1 ASSI { 346} (( segid " A" and resid 265 and name HB2 )) (( segid " A" and resid 265 and name HN )) 6.000 4.500 0.000 peak 346 spectrum 1 weight 0.10000E+01 volume 0.13674E-02 ppm1 2.733 ppm2 8.340 CV 1 ASSI { 347} (( segid " A" and resid 182 and name HB1 )) (( segid " A" and resid 182 and name HN )) 6.000 4.500 0.000 peak 347 spectrum 1 weight 0.10000E+01 volume 0.12628E-02 ppm1 2.522 ppm2 8.362 CV 1 OR { 347} (( segid " A" and resid 182 and name HB2 )) (( segid " A" and resid 182 and name HN )) ASSI { 348} (( segid " A" and resid 229 and name HB1 )) (( segid " A" and resid 229 and name HN )) 6.000 4.500 0.000 peak 348 spectrum 1 weight 0.10000E+01 volume 0.80395E-03 ppm1 3.498 ppm2 8.346 CV 1 ASSI { 349} (( segid " A" and resid 229 and name HB2 )) (( segid " A" and resid 229 and name HN )) 6.000 4.500 0.000 peak 349 spectrum 1 weight 0.10000E+01 volume 0.10214E-02 ppm1 2.816 ppm2 8.341 CV 1 ASSI { 350} (( segid " A" and resid 264 and name HB1 )) (( segid " A" and resid 265 and name HN )) 6.000 4.500 0.000 peak 350 spectrum 1 weight 0.10000E+01 volume 0.22092E-02 ppm1 2.111 ppm2 8.341 CV 1 OR { 350} (( segid " A" and resid 264 and name HB2 )) (( segid " A" and resid 265 and name HN )) ASSI { 351} (( segid " A" and resid 183 and name HG12)) (( segid " A" and resid 183 and name HN )) 6.000 4.500 0.000 peak 351 spectrum 1 weight 0.10000E+01 volume 0.17393E-02 ppm1 1.511 ppm2 8.357 CV 1 ASSI { 352} ( segid " A" and resid 228 and name HG1%) (( segid " A" and resid 229 and name HN )) 6.000 4.500 0.000 peak 352 spectrum 1 weight 0.10000E+01 volume 0.17134E-02 ppm1 1.000 ppm2 8.343 CV 1 ASSI { 353} ( segid " A" and resid 148 and name HG1%) (( segid " A" and resid 148 and name HN )) 6.000 4.500 0.000 peak 353 spectrum 1 weight 0.10000E+01 volume 0.21047E-02 ppm1 0.979 ppm2 8.338 CV 1 ASSI { 354} ( segid " A" and resid 228 and name HG2%) (( segid " A" and resid 229 and name HN )) 6.000 4.500 0.000 peak 354 spectrum 1 weight 0.10000E+01 volume 0.10103E-02 ppm1 0.490 ppm2 8.343 CV 1 ASSI { 355} ( segid " A" and resid 183 and name HG2%) (( segid " A" and resid 183 and name HN )) 6.000 4.500 0.000 peak 355 spectrum 1 weight 0.10000E+01 volume 0.28161E-02 ppm1 0.961 ppm2 8.355 CV 1 ASSI { 356} ( segid " A" and resid 183 and name HD1%) (( segid " A" and resid 183 and name HN )) 6.000 4.500 0.000 peak 356 spectrum 1 weight 0.10000E+01 volume 0.10981E-02 ppm1 0.882 ppm2 8.355 CV 1 ASSI { 357} ( segid " A" and resid 235 and name HD1%) (( segid " A" and resid 229 and name HN )) 6.000 4.500 0.000 peak 357 spectrum 1 weight 0.10000E+01 volume 0.12221E-02 ppm1 0.689 ppm2 8.347 CV 1 ASSI { 358} ( segid " A" and resid 255 and name HD1%) (( segid " A" and resid 229 and name HN )) 6.000 4.500 0.000 peak 358 spectrum 1 weight 0.10000E+01 volume 0.10075E-02 ppm1 -0.116 ppm2 8.345 CV 1 ASSI { 359} (( segid " A" and resid 265 and name HA )) (( segid " A" and resid 265 and name HN )) 6.000 4.500 0.000 peak 359 spectrum 1 weight 0.10000E+01 volume 0.19104E-02 ppm1 4.267 ppm2 8.332 CV 1 ASSI { 360} (( segid " A" and resid 258 and name HG1 )) (( segid " A" and resid 258 and name HN )) 6.000 4.500 0.000 peak 360 spectrum 1 weight 0.10000E+01 volume 0.21833E-02 ppm1 2.230 ppm2 8.313 CV 1 ASSI { 361} (( segid " A" and resid 258 and name HG2 )) (( segid " A" and resid 258 and name HN )) 6.000 4.500 0.000 peak 361 spectrum 1 weight 0.10000E+01 volume 0.19918E-02 ppm1 2.139 ppm2 8.314 CV 1 ASSI { 362} (( segid " A" and resid 264 and name HG2 )) (( segid " A" and resid 265 and name HN )) 6.000 4.500 0.000 peak 362 spectrum 1 weight 0.10000E+01 volume 0.21176E-02 ppm1 2.387 ppm2 8.322 CV 1 OR { 362} (( segid " A" and resid 264 and name HG1 )) (( segid " A" and resid 265 and name HN )) ASSI { 363} (( segid " A" and resid 148 and name HB )) (( segid " A" and resid 148 and name HN )) 6.000 4.500 0.000 peak 363 spectrum 1 weight 0.10000E+01 volume 0.11213E-02 ppm1 2.259 ppm2 8.329 CV 1 ASSI { 364} (( segid " A" and resid 258 and name HB1 )) (( segid " A" and resid 258 and name HN )) 6.000 4.500 0.000 peak 364 spectrum 1 weight 0.10000E+01 volume 0.21519E-02 ppm1 2.219 ppm2 8.310 CV 1 ASSI { 365} (( segid " A" and resid 258 and name HB2 )) (( segid " A" and resid 258 and name HN )) 6.000 4.500 0.000 peak 365 spectrum 1 weight 0.10000E+01 volume 0.22703E-02 ppm1 1.959 ppm2 8.307 CV 1 ASSI { 366} (( segid " A" and resid 236 and name HG2 )) (( segid " A" and resid 258 and name HN )) 6.000 4.500 0.000 peak 366 spectrum 1 weight 0.10000E+01 volume 0.82892E-03 ppm1 1.363 ppm2 8.312 CV 1 OR { 366} (( segid " A" and resid 236 and name HG1 )) (( segid " A" and resid 258 and name HN )) ASSI { 367} ( segid " A" and resid 266 and name HB% ) (( segid " A" and resid 265 and name HN )) 6.000 4.500 0.000 peak 367 spectrum 1 weight 0.10000E+01 volume 0.96029E-03 ppm1 1.269 ppm2 8.326 CV 1 ASSI { 368} (( segid " A" and resid 176 and name HA )) (( segid " A" and resid 177 and name HN )) 6.000 4.500 0.000 peak 368 spectrum 1 weight 0.10000E+01 volume 0.58867E-02 ppm1 4.065 ppm2 8.282 CV 1 ASSI { 369} (( segid " A" and resid 258 and name HA )) (( segid " A" and resid 258 and name HN )) 6.000 4.500 0.000 peak 369 spectrum 1 weight 0.10000E+01 volume 0.14007E-02 ppm1 4.106 ppm2 8.297 CV 1 ASSI { 370} (( segid " A" and resid 124 and name HA1 )) (( segid " A" and resid 124 and name HN )) 6.000 4.500 0.000 peak 370 spectrum 1 weight 0.10000E+01 volume 0.14229E-02 ppm1 3.945 ppm2 8.289 CV 1 ASSI { 371} (( segid " A" and resid 146 and name HB1 )) (( segid " A" and resid 146 and name HN )) 6.000 4.500 0.000 peak 371 spectrum 1 weight 0.10000E+01 volume 0.87056E-03 ppm1 3.126 ppm2 8.278 CV 1 ASSI { 373} (( segid " A" and resid 223 and name HB1 )) (( segid " A" and resid 223 and name HN )) 6.000 4.500 0.000 peak 373 spectrum 1 weight 0.10000E+01 volume 0.10417E-02 ppm1 2.627 ppm2 8.290 CV 1 ASSI { 374} (( segid " A" and resid 223 and name HB2 )) (( segid " A" and resid 223 and name HN )) 6.000 4.500 0.000 peak 374 spectrum 1 weight 0.10000E+01 volume 0.11592E-02 ppm1 2.517 ppm2 8.293 CV 1 ASSI { 375} (( segid " A" and resid 177 and name HB1 )) (( segid " A" and resid 177 and name HN )) 6.000 4.500 0.000 peak 375 spectrum 1 weight 0.10000E+01 volume 0.21676E-02 ppm1 1.930 ppm2 8.277 CV 1 ASSI { 376} (( segid " A" and resid 177 and name HB2 )) (( segid " A" and resid 177 and name HN )) 6.000 4.500 0.000 peak 376 spectrum 1 weight 0.10000E+01 volume 0.22675E-02 ppm1 1.799 ppm2 8.282 CV 1 ASSI { 377} (( segid " A" and resid 176 and name HB )) (( segid " A" and resid 177 and name HN )) 6.000 4.500 0.000 peak 377 spectrum 1 weight 0.10000E+01 volume 0.22546E-02 ppm1 2.087 ppm2 8.294 CV 1 ASSI { 378} (( segid " A" and resid 177 and name HG2 )) (( segid " A" and resid 177 and name HN )) 6.000 4.500 0.000 peak 378 spectrum 1 weight 0.10000E+01 volume 0.15616E-02 ppm1 2.289 ppm2 8.295 CV 1 ASSI { 379} ( segid " A" and resid 123 and name HD1%) (( segid " A" and resid 124 and name HN )) 6.000 4.500 0.000 peak 379 spectrum 1 weight 0.10000E+01 volume 0.12776E-02 ppm1 0.950 ppm2 8.295 CV 1 ASSI { 380} ( segid " A" and resid 176 and name HG1%) (( segid " A" and resid 177 and name HN )) 6.000 4.500 0.000 peak 380 spectrum 1 weight 0.10000E+01 volume 0.21361E-02 ppm1 1.037 ppm2 8.280 CV 1 ASSI { 381} ( segid " A" and resid 176 and name HG2%) (( segid " A" and resid 177 and name HN )) 6.000 4.500 0.000 peak 381 spectrum 1 weight 0.10000E+01 volume 0.36524E-02 ppm1 0.907 ppm2 8.286 CV 1 ASSI { 382} ( segid " A" and resid 177 and name HE% ) (( segid " A" and resid 177 and name HN )) 6.000 4.500 0.000 peak 382 spectrum 1 weight 0.10000E+01 volume 0.12055E-02 ppm1 1.941 ppm2 8.292 CV 1 ASSI { 383} (( segid " A" and resid 215 and name HA )) (( segid " A" and resid 215 and name HN )) 6.000 4.500 0.000 peak 383 spectrum 1 weight 0.10000E+01 volume 0.40040E-02 ppm1 3.876 ppm2 8.262 CV 1 ASSI { 384} (( segid " A" and resid 278 and name HA )) (( segid " A" and resid 279 and name HN )) 6.000 4.500 0.000 peak 384 spectrum 1 weight 0.10000E+01 volume 0.33897E-02 ppm1 4.359 ppm2 8.249 CV 1 ASSI { 385} (( segid " A" and resid 214 and name HA )) (( segid " A" and resid 215 and name HN )) 6.000 4.500 0.000 peak 385 spectrum 1 weight 0.10000E+01 volume 0.15246E-02 ppm1 5.129 ppm2 8.264 CV 1 ASSI { 386} (( segid " A" and resid 146 and name HB2 )) (( segid " A" and resid 146 and name HN )) 6.000 4.500 0.000 peak 386 spectrum 1 weight 0.10000E+01 volume 0.91034E-03 ppm1 2.317 ppm2 8.267 CV 1 ASSI { 387} (( segid " A" and resid 279 and name HB2 )) (( segid " A" and resid 279 and name HN )) 6.000 4.500 0.000 peak 387 spectrum 1 weight 0.10000E+01 volume 0.10991E-02 ppm1 2.754 ppm2 8.261 CV 1 ASSI { 388} (( segid " A" and resid 279 and name HB1 )) (( segid " A" and resid 279 and name HN )) 6.000 4.500 0.000 peak 388 spectrum 1 weight 0.10000E+01 volume 0.94734E-03 ppm1 2.558 ppm2 8.262 CV 1 ASSI { 389} (( segid " A" and resid 145 and name HB1 )) (( segid " A" and resid 145 and name HN )) 6.000 4.500 0.000 peak 389 spectrum 1 weight 0.10000E+01 volume 0.12110E-02 ppm1 3.078 ppm2 8.273 CV 1 ASSI { 390} (( segid " A" and resid 145 and name HB2 )) (( segid " A" and resid 145 and name HN )) 6.000 4.500 0.000 peak 390 spectrum 1 weight 0.10000E+01 volume 0.10232E-02 ppm1 3.030 ppm2 8.263 CV 1 ASSI { 391} (( segid " A" and resid 278 and name HB2 )) (( segid " A" and resid 279 and name HN )) 6.000 4.500 0.000 peak 391 spectrum 1 weight 0.10000E+01 volume 0.13711E-02 ppm1 2.146 ppm2 8.260 CV 1 ASSI { 392} (( segid " A" and resid 278 and name HB1 )) (( segid " A" and resid 279 and name HN )) 6.000 4.500 0.000 peak 392 spectrum 1 weight 0.10000E+01 volume 0.11277E-02 ppm1 1.959 ppm2 8.268 CV 1 ASSI { 393} ( segid " A" and resid 214 and name HB% ) (( segid " A" and resid 215 and name HN )) 6.000 4.500 0.000 peak 393 spectrum 1 weight 0.10000E+01 volume 0.42723E-02 ppm1 1.289 ppm2 8.264 CV 1 ASSI { 395} (( segid " A" and resid 140 and name HB2 )) (( segid " A" and resid 141 and name HN )) 6.000 4.500 0.000 peak 395 spectrum 1 weight 0.10000E+01 volume 0.17208E-02 ppm1 3.704 ppm2 8.220 CV 1 ASSI { 396} (( segid " A" and resid 140 and name HA )) (( segid " A" and resid 141 and name HN )) 6.000 4.500 0.000 peak 396 spectrum 1 weight 0.10000E+01 volume 0.13183E-02 ppm1 4.498 ppm2 8.227 CV 1 ASSI { 397} (( segid " A" and resid 205 and name HA )) (( segid " A" and resid 205 and name HN )) 6.000 4.500 0.000 peak 397 spectrum 1 weight 0.10000E+01 volume 0.18447E-02 ppm1 3.883 ppm2 8.218 CV 1 ASSI { 398} (( segid " A" and resid 141 and name HB )) (( segid " A" and resid 141 and name HN )) 6.000 4.500 0.000 peak 398 spectrum 1 weight 0.10000E+01 volume 0.17263E-02 ppm1 1.636 ppm2 8.219 CV 1 ASSI { 402} (( segid " A" and resid 204 and name HB2 )) (( segid " A" and resid 205 and name HN )) 6.000 4.500 0.000 peak 402 spectrum 1 weight 0.10000E+01 volume 0.99822E-03 ppm1 2.185 ppm2 8.230 CV 1 ASSI { 404} (( segid " A" and resid 206 and name HB2 )) (( segid " A" and resid 205 and name HN )) 6.000 4.500 0.000 peak 404 spectrum 1 weight 0.10000E+01 volume 0.11333E-02 ppm1 2.009 ppm2 8.237 CV 1 OR { 404} (( segid " A" and resid 206 and name HB1 )) (( segid " A" and resid 205 and name HN )) ASSI { 406} ( segid " A" and resid 201 and name HD2%) (( segid " A" and resid 205 and name HN )) 6.000 4.500 0.000 peak 406 spectrum 1 weight 0.10000E+01 volume 0.92236E-03 ppm1 0.817 ppm2 8.227 CV 1 ASSI { 408} ( segid " A" and resid 205 and name HB% ) (( segid " A" and resid 205 and name HN )) 6.000 4.500 0.000 peak 408 spectrum 1 weight 0.10000E+01 volume 0.80617E-02 ppm1 1.163 ppm2 8.219 CV 1 ASSI { 409} ( segid " A" and resid 202 and name HB% ) (( segid " A" and resid 205 and name HN )) 6.000 4.500 0.000 peak 409 spectrum 1 weight 0.10000E+01 volume 0.97695E-03 ppm1 1.577 ppm2 8.222 CV 1 ASSI { 410} ( segid " A" and resid 141 and name HG2%) (( segid " A" and resid 141 and name HN )) 6.000 4.500 0.000 peak 410 spectrum 1 weight 0.10000E+01 volume 0.81782E-03 ppm1 0.610 ppm2 8.218 CV 1 ASSI { 411} (( segid " A" and resid 239 and name HB )) (( segid " A" and resid 239 and name HN )) 6.000 4.500 0.000 peak 411 spectrum 1 weight 0.10000E+01 volume 0.29429E-02 ppm1 3.953 ppm2 8.194 CV 1 ASSI { 412} (( segid " A" and resid 140 and name HB1 )) (( segid " A" and resid 141 and name HN )) 6.000 4.500 0.000 peak 412 spectrum 1 weight 0.10000E+01 volume 0.15940E-02 ppm1 3.775 ppm2 8.213 CV 1 ASSI { 413} (( segid " A" and resid 204 and name HA )) (( segid " A" and resid 205 and name HN )) 6.000 4.500 0.000 peak 413 spectrum 1 weight 0.10000E+01 volume 0.19937E-02 ppm1 4.071 ppm2 8.209 CV 1 ASSI { 414} (( segid " A" and resid 111 and name HA )) (( segid " A" and resid 111 and name HN )) 6.000 4.500 0.000 peak 414 spectrum 1 weight 0.10000E+01 volume 0.15774E-02 ppm1 3.915 ppm2 8.193 CV 1 ASSI { 415} (( segid " A" and resid 202 and name HA )) (( segid " A" and resid 205 and name HN )) 6.000 4.500 0.000 peak 415 spectrum 1 weight 0.10000E+01 volume 0.17763E-02 ppm1 3.946 ppm2 8.203 CV 1 ASSI { 416} (( segid " A" and resid 110 and name HB )) (( segid " A" and resid 111 and name HN )) 6.000 4.500 0.000 peak 416 spectrum 1 weight 0.10000E+01 volume 0.17864E-02 ppm1 1.889 ppm2 8.197 CV 1 ASSI { 417} (( segid " A" and resid 111 and name HB2 )) (( segid " A" and resid 111 and name HN )) 6.000 4.500 0.000 peak 417 spectrum 1 weight 0.10000E+01 volume 0.11046E-02 ppm1 2.313 ppm2 8.200 CV 1 ASSI { 418} (( segid " A" and resid 111 and name HG2 )) (( segid " A" and resid 111 and name HN )) 6.000 4.500 0.000 peak 418 spectrum 1 weight 0.10000E+01 volume 0.11629E-02 ppm1 2.618 ppm2 8.191 CV 1 OR { 418} (( segid " A" and resid 111 and name HG1 )) (( segid " A" and resid 111 and name HN )) ASSI { 419} (( segid " A" and resid 171 and name HB2 )) (( segid " A" and resid 172 and name HN )) 6.000 4.500 0.000 peak 419 spectrum 1 weight 0.10000E+01 volume 0.10482E-02 ppm1 2.070 ppm2 8.191 CV 1 ASSI { 420} (( segid " A" and resid 110 and name HG11)) (( segid " A" and resid 111 and name HN )) 6.000 4.500 0.000 peak 420 spectrum 1 weight 0.10000E+01 volume 0.14062E-02 ppm1 1.733 ppm2 8.203 CV 1 ASSI { 421} ( segid " A" and resid 239 and name HG2%) (( segid " A" and resid 239 and name HN )) 6.000 4.500 0.000 peak 421 spectrum 1 weight 0.10000E+01 volume 0.15135E-02 ppm1 1.187 ppm2 8.200 CV 1 ASSI { 422} ( segid " A" and resid 110 and name HG2%) (( segid " A" and resid 111 and name HN )) 6.000 4.500 0.000 peak 422 spectrum 1 weight 0.10000E+01 volume 0.16921E-02 ppm1 0.857 ppm2 8.191 CV 1 ASSI { 423} ( segid " A" and resid 138 and name HG2%) (( segid " A" and resid 141 and name HN )) 6.000 4.500 0.000 peak 423 spectrum 1 weight 0.10000E+01 volume 0.78729E-03 ppm1 0.552 ppm2 8.201 CV 1 ASSI { 424} ( segid " A" and resid 111 and name HE% ) (( segid " A" and resid 111 and name HN )) 6.000 4.500 0.000 peak 424 spectrum 1 weight 0.10000E+01 volume 0.89831E-03 ppm1 1.983 ppm2 8.199 CV 1 ASSI { 425} ( segid " A" and resid 110 and name HD1%) (( segid " A" and resid 111 and name HN )) 6.000 4.500 0.000 peak 425 spectrum 1 weight 0.10000E+01 volume 0.14747E-02 ppm1 0.747 ppm2 8.195 CV 1 OR { 425} ( segid " A" and resid 141 and name HD1%) (( segid " A" and resid 141 and name HN )) ASSI { 426} (( segid " A" and resid 118 and name HA )) (( segid " A" and resid 119 and name HN )) 6.000 4.500 0.000 peak 426 spectrum 1 weight 0.10000E+01 volume 0.11610E-02 ppm1 3.992 ppm2 8.175 CV 1 ASSI { 427} (( segid " A" and resid 108 and name HA )) (( segid " A" and resid 108 and name HN )) 6.000 4.500 0.000 peak 427 spectrum 1 weight 0.10000E+01 volume 0.25969E-02 ppm1 4.032 ppm2 8.168 CV 1 ASSI { 428} (( segid " A" and resid 108 and name HB2 )) (( segid " A" and resid 108 and name HN )) 6.000 4.500 0.000 peak 428 spectrum 1 weight 0.10000E+01 volume 0.18336E-02 ppm1 1.492 ppm2 8.160 CV 1 ASSI { 429} ( segid " A" and resid 108 and name HD1%) (( segid " A" and resid 108 and name HN )) 6.000 4.500 0.000 peak 429 spectrum 1 weight 0.10000E+01 volume 0.28198E-02 ppm1 0.847 ppm2 8.158 CV 1 ASSI { 430} ( segid " A" and resid 108 and name HD2%) (( segid " A" and resid 108 and name HN )) 6.000 4.500 0.000 peak 430 spectrum 1 weight 0.10000E+01 volume 0.21778E-02 ppm1 0.884 ppm2 8.163 CV 1 ASSI { 431} (( segid " A" and resid 215 and name HA )) (( segid " A" and resid 216 and name HN )) 6.000 4.500 0.000 peak 431 spectrum 1 weight 0.10000E+01 volume 0.18734E-02 ppm1 3.879 ppm2 8.131 CV 1 ASSI { 432} (( segid " A" and resid 251 and name HA1 )) (( segid " A" and resid 216 and name HN )) 6.000 4.500 0.000 peak 432 spectrum 1 weight 0.10000E+01 volume 0.88998E-03 ppm1 4.175 ppm2 8.132 CV 1 ASSI { 433} (( segid " A" and resid 108 and name HB1 )) (( segid " A" and resid 108 and name HN )) 6.000 4.500 0.000 peak 433 spectrum 1 weight 0.10000E+01 volume 0.20520E-02 ppm1 1.825 ppm2 8.158 CV 1 ASSI { 434} (( segid " A" and resid 108 and name HG )) (( segid " A" and resid 108 and name HN )) 6.000 4.500 0.000 peak 434 spectrum 1 weight 0.10000E+01 volume 0.31806E-02 ppm1 1.726 ppm2 8.156 CV 1 ASSI { 435} ( segid " A" and resid 107 and name HB% ) (( segid " A" and resid 108 and name HN )) 6.000 4.500 0.000 peak 435 spectrum 1 weight 0.10000E+01 volume 0.31658E-02 ppm1 1.490 ppm2 8.152 CV 1 ASSI { 436} ( segid " A" and resid 119 and name HG2%) (( segid " A" and resid 119 and name HN )) 6.000 4.500 0.000 peak 436 spectrum 1 weight 0.10000E+01 volume 0.91959E-03 ppm1 0.704 ppm2 8.143 CV 1 ASSI { 437} (( segid " A" and resid 171 and name HA )) (( segid " A" and resid 173 and name HN )) 6.000 4.500 0.000 peak 437 spectrum 1 weight 0.10000E+01 volume 0.17050E-02 ppm1 4.062 ppm2 8.126 CV 1 OR { 437} (( segid " A" and resid 130 and name HA )) (( segid " A" and resid 132 and name HN )) ASSI { 438} (( segid " A" and resid 173 and name HA )) (( segid " A" and resid 173 and name HN )) 6.000 4.500 0.000 peak 438 spectrum 1 weight 0.10000E+01 volume 0.12295E-02 ppm1 5.067 ppm2 8.105 CV 1 ASSI { 439} (( segid " A" and resid 214 and name HA )) (( segid " A" and resid 216 and name HN )) 6.000 4.500 0.000 peak 439 spectrum 1 weight 0.10000E+01 volume 0.80580E-03 ppm1 5.145 ppm2 8.123 CV 1 ASSI { 440} (( segid " A" and resid 218 and name HG2 )) (( segid " A" and resid 218 and name HN )) 6.000 4.500 0.000 peak 440 spectrum 1 weight 0.10000E+01 volume 0.20076E-02 ppm1 2.126 ppm2 8.100 CV 1 ASSI { 441} (( segid " A" and resid 216 and name HB )) (( segid " A" and resid 216 and name HN )) 6.000 4.500 0.000 peak 441 spectrum 1 weight 0.10000E+01 volume 0.11462E-02 ppm1 1.293 ppm2 8.122 CV 1 ASSI { 442} ( segid " A" and resid 214 and name HB% ) (( segid " A" and resid 216 and name HN )) 6.000 4.500 0.000 peak 442 spectrum 1 weight 0.10000E+01 volume 0.82985E-03 ppm1 1.288 ppm2 8.121 CV 1 ASSI { 443} ( segid " A" and resid 216 and name HG1%) (( segid " A" and resid 216 and name HN )) 6.000 4.500 0.000 peak 443 spectrum 1 weight 0.10000E+01 volume 0.15043E-02 ppm1 0.688 ppm2 8.114 CV 1 ASSI { 444} ( segid " A" and resid 216 and name HG2%) (( segid " A" and resid 216 and name HN )) 6.000 4.500 0.000 peak 444 spectrum 1 weight 0.10000E+01 volume 0.33000E-02 ppm1 0.389 ppm2 8.121 CV 1 ASSI { 445} ( segid " A" and resid 173 and name HE% ) (( segid " A" and resid 173 and name HN )) 6.000 4.500 0.000 peak 445 spectrum 1 weight 0.10000E+01 volume 0.15829E-02 ppm1 1.401 ppm2 8.109 CV 1 OR { 445} ( segid " A" and resid 173 and name HE% ) (( segid " A" and resid 132 and name HN )) ASSI { 446} (( segid " A" and resid 128 and name HA )) (( segid " A" and resid 132 and name HN )) 6.000 4.500 0.000 peak 446 spectrum 1 weight 0.10000E+01 volume 0.13581E-02 ppm1 3.746 ppm2 8.084 CV 1 ASSI { 447} (( segid " A" and resid 217 and name HA )) (( segid " A" and resid 218 and name HN )) 6.000 4.500 0.000 peak 447 spectrum 1 weight 0.10000E+01 volume 0.44037E-02 ppm1 3.908 ppm2 8.093 CV 1 ASSI { 448} (( segid " A" and resid 218 and name HA )) (( segid " A" and resid 218 and name HN )) 6.000 4.500 0.000 peak 448 spectrum 1 weight 0.10000E+01 volume 0.20205E-02 ppm1 3.655 ppm2 8.095 CV 1 ASSI { 449} (( segid " A" and resid 218 and name HG1 )) (( segid " A" and resid 218 and name HN )) 6.000 4.500 0.000 peak 449 spectrum 1 weight 0.10000E+01 volume 0.17309E-02 ppm1 2.228 ppm2 8.090 CV 1 ASSI { 450} (( segid " A" and resid 218 and name HB1 )) (( segid " A" and resid 218 and name HN )) 6.000 4.500 0.000 peak 450 spectrum 1 weight 0.10000E+01 volume 0.26154E-02 ppm1 1.871 ppm2 8.094 CV 1 ASSI { 451} (( segid " A" and resid 218 and name HB2 )) (( segid " A" and resid 218 and name HN )) 6.000 4.500 0.000 peak 451 spectrum 1 weight 0.10000E+01 volume 0.23480E-02 ppm1 1.808 ppm2 8.092 CV 1 ASSI { 452} (( segid " A" and resid 130 and name HB2 )) (( segid " A" and resid 132 and name HN )) 6.000 4.500 0.000 peak 452 spectrum 1 weight 0.10000E+01 volume 0.11009E-02 ppm1 2.182 ppm2 8.083 CV 1 OR { 452} (( segid " A" and resid 130 and name HB1 )) (( segid " A" and resid 132 and name HN )) ASSI { 453} ( segid " A" and resid 185 and name HG1%) (( segid " A" and resid 173 and name HN )) 6.000 4.500 0.000 peak 453 spectrum 1 weight 0.10000E+01 volume 0.20936E-02 ppm1 1.011 ppm2 8.090 CV 1 OR { 453} ( segid " A" and resid 176 and name HG1%) (( segid " A" and resid 173 and name HN )) ASSI { 454} ( segid " A" and resid 131 and name HB% ) (( segid " A" and resid 132 and name HN )) 6.000 4.500 0.000 peak 454 spectrum 1 weight 0.10000E+01 volume 0.27088E-02 ppm1 1.463 ppm2 8.098 CV 1 ASSI { 455} ( segid " A" and resid 138 and name HD1%) (( segid " A" and resid 132 and name HN )) 6.000 4.500 0.000 peak 455 spectrum 1 weight 0.10000E+01 volume 0.85390E-03 ppm1 0.778 ppm2 8.084 CV 1 ASSI { 456} (( segid " A" and resid 233 and name HA2 )) (( segid " A" and resid 234 and name HN )) 6.000 4.500 0.000 peak 456 spectrum 1 weight 0.10000E+01 volume 0.11685E-02 ppm1 3.903 ppm2 8.049 CV 1 ASSI { 458} (( segid " A" and resid 167 and name HG2 )) (( segid " A" and resid 167 and name HE22)) 6.000 4.500 0.000 peak 458 spectrum 1 weight 0.10000E+01 volume 0.11851E-02 ppm1 2.345 ppm2 8.051 CV 1 ASSI { 460} (( segid " A" and resid 234 and name HB2 )) (( segid " A" and resid 234 and name HN )) 6.000 4.500 0.000 peak 460 spectrum 1 weight 0.10000E+01 volume 0.26080E-02 ppm1 1.795 ppm2 8.060 CV 1 OR { 460} (( segid " A" and resid 234 and name HB1 )) (( segid " A" and resid 234 and name HN )) ASSI { 461} (( segid " A" and resid 284 and name HE1 )) (( segid " A" and resid 167 and name HE22)) 6.000 4.500 0.000 peak 461 spectrum 1 weight 0.10000E+01 volume 0.12573E-02 ppm1 3.011 ppm2 8.018 CV 1 OR { 461} (( segid " A" and resid 284 and name HE2 )) (( segid " A" and resid 167 and name HE22)) ASSI { 462} ( segid " A" and resid 114 and name HG2%) (( segid " A" and resid 170 and name HN )) 6.000 4.500 0.000 peak 462 spectrum 1 weight 0.10000E+01 volume 0.85760E-03 ppm1 0.937 ppm2 8.020 CV 1 ASSI { 463} ( segid " A" and resid 114 and name HG1%) (( segid " A" and resid 170 and name HN )) 6.000 4.500 0.000 peak 463 spectrum 1 weight 0.10000E+01 volume 0.85483E-03 ppm1 0.898 ppm2 8.031 CV 1 ASSI { 464} (( segid " A" and resid 202 and name HA )) (( segid " A" and resid 202 and name HN )) 6.000 4.500 0.000 peak 464 spectrum 1 weight 0.10000E+01 volume 0.28198E-02 ppm1 3.942 ppm2 7.997 CV 1 ASSI { 465} (( segid " A" and resid 183 and name HB )) (( segid " A" and resid 184 and name HN )) 6.000 4.500 0.000 peak 465 spectrum 1 weight 0.10000E+01 volume 0.16893E-02 ppm1 2.035 ppm2 7.991 CV 1 ASSI { 466} ( segid " A" and resid 201 and name HD1%) (( segid " A" and resid 202 and name HN )) 6.000 4.500 0.000 peak 466 spectrum 1 weight 0.10000E+01 volume 0.11037E-02 ppm1 0.808 ppm2 7.994 CV 1 OR { 466} ( segid " A" and resid 201 and name HD1%) (( segid " A" and resid 198 and name HN )) ASSI { 467} (( segid " A" and resid 184 and name HG1 )) (( segid " A" and resid 184 and name HN )) 6.000 4.500 0.000 peak 467 spectrum 1 weight 0.10000E+01 volume 0.85853E-03 ppm1 1.464 ppm2 7.992 CV 1 ASSI { 468} ( segid " A" and resid 205 and name HB% ) (( segid " A" and resid 202 and name HN )) 6.000 4.500 0.000 peak 468 spectrum 1 weight 0.10000E+01 volume 0.77989E-03 ppm1 1.161 ppm2 7.999 CV 1 ASSI { 469} ( segid " A" and resid 202 and name HB% ) (( segid " A" and resid 202 and name HN )) 6.000 4.500 0.000 peak 469 spectrum 1 weight 0.10000E+01 volume 0.81144E-02 ppm1 1.580 ppm2 7.999 CV 1 ASSI { 470} ( segid " A" and resid 183 and name HD1%) (( segid " A" and resid 184 and name HN )) 6.000 4.500 0.000 peak 470 spectrum 1 weight 0.10000E+01 volume 0.12554E-02 ppm1 0.883 ppm2 7.988 CV 1 ASSI { 471} (( segid " A" and resid 198 and name HA )) (( segid " A" and resid 198 and name HN )) 6.000 4.500 0.000 peak 471 spectrum 1 weight 0.10000E+01 volume 0.11148E-02 ppm1 3.567 ppm2 7.978 CV 1 ASSI { 472} (( segid " A" and resid 135 and name HA )) ( segid " A" and resid 132 and name HD% ) 6.000 4.500 0.000 peak 472 spectrum 1 weight 0.10000E+01 volume 0.12591E-02 ppm1 3.898 ppm2 7.967 CV 1 OR { 472} (( segid " A" and resid 119 and name HA )) (( segid " A" and resid 184 and name HN )) ASSI { 473} (( segid " A" and resid 247 and name HA1 )) (( segid " A" and resid 248 and name HN )) 6.000 4.500 0.000 peak 473 spectrum 1 weight 0.10000E+01 volume 0.78637E-03 ppm1 4.246 ppm2 7.967 CV 1 ASSI { 474} (( segid " A" and resid 132 and name HB1 )) ( segid " A" and resid 132 and name HD% ) 6.000 4.500 0.000 peak 474 spectrum 1 weight 0.10000E+01 volume 0.75121E-03 ppm1 2.871 ppm2 7.961 CV 1 ASSI { 475} (( segid " A" and resid 198 and name HB )) (( segid " A" and resid 198 and name HN )) 6.000 4.500 0.000 peak 475 spectrum 1 weight 0.10000E+01 volume 0.24072E-02 ppm1 2.008 ppm2 7.977 CV 1 ASSI { 476} (( segid " A" and resid 184 and name HB2 )) (( segid " A" and resid 184 and name HN )) 6.000 4.500 0.000 peak 476 spectrum 1 weight 0.10000E+01 volume 0.12351E-02 ppm1 1.757 ppm2 7.972 CV 1 ASSI { 477} (( segid " A" and resid 184 and name HB1 )) (( segid " A" and resid 184 and name HN )) 6.000 4.500 0.000 peak 477 spectrum 1 weight 0.10000E+01 volume 0.11361E-02 ppm1 1.606 ppm2 7.972 CV 1 ASSI { 478} (( segid " A" and resid 198 and name HG11)) (( segid " A" and resid 198 and name HN )) 6.000 4.500 0.000 peak 478 spectrum 1 weight 0.10000E+01 volume 0.10639E-02 ppm1 1.231 ppm2 7.972 CV 1 ASSI { 479} ( segid " A" and resid 131 and name HB% ) ( segid " A" and resid 132 and name HD% ) 6.000 4.500 0.000 peak 479 spectrum 1 weight 0.10000E+01 volume 0.32176E-02 ppm1 1.460 ppm2 7.960 CV 1 ASSI { 480} ( segid " A" and resid 183 and name HG2%) (( segid " A" and resid 184 and name HN )) 6.000 4.500 0.000 peak 480 spectrum 1 weight 0.10000E+01 volume 0.20806E-02 ppm1 0.961 ppm2 7.977 CV 1 ASSI { 481} ( segid " A" and resid 197 and name HG2%) (( segid " A" and resid 198 and name HN )) 6.000 4.500 0.000 peak 481 spectrum 1 weight 0.10000E+01 volume 0.15135E-02 ppm1 0.893 ppm2 7.980 CV 1 ASSI { 482} ( segid " A" and resid 133 and name HB% ) (( segid " A" and resid 130 and name HN )) 6.000 4.500 0.000 peak 482 spectrum 1 weight 0.10000E+01 volume 0.10352E-02 ppm1 1.625 ppm2 7.968 CV 1 ASSI { 483} ( segid " A" and resid 128 and name HG2%) ( segid " A" and resid 132 and name HD% ) 6.000 4.500 0.000 peak 483 spectrum 1 weight 0.10000E+01 volume 0.20279E-02 ppm1 0.550 ppm2 7.965 CV 1 ASSI { 484} ( segid " A" and resid 173 and name HE% ) ( segid " A" and resid 132 and name HD% ) 6.000 4.500 0.000 peak 484 spectrum 1 weight 0.10000E+01 volume 0.11851E-02 ppm1 1.404 ppm2 7.973 CV 1 ASSI { 485} ( segid " A" and resid 198 and name HG2%) (( segid " A" and resid 198 and name HN )) 6.000 4.500 0.000 peak 485 spectrum 1 weight 0.10000E+01 volume 0.31991E-02 ppm1 0.942 ppm2 7.961 CV 1 ASSI { 486} ( segid " A" and resid 198 and name HD1%) (( segid " A" and resid 198 and name HN )) 6.000 4.500 0.000 peak 486 spectrum 1 weight 0.10000E+01 volume 0.26302E-02 ppm1 0.741 ppm2 7.975 CV 1 ASSI { 487} ( segid " A" and resid 197 and name HD1%) (( segid " A" and resid 198 and name HN )) 6.000 4.500 0.000 peak 487 spectrum 1 weight 0.10000E+01 volume 0.74196E-03 ppm1 0.811 ppm2 7.977 CV 1 ASSI { 489} (( segid " A" and resid 127 and name HA )) (( segid " A" and resid 130 and name HN )) 6.000 4.500 0.000 peak 489 spectrum 1 weight 0.10000E+01 volume 0.80857E-03 ppm1 4.023 ppm2 7.937 CV 1 ASSI { 491} (( segid " A" and resid 227 and name HB2 )) (( segid " A" and resid 227 and name HN )) 6.000 4.500 0.000 peak 491 spectrum 1 weight 0.10000E+01 volume 0.34313E-02 ppm1 4.036 ppm2 7.946 CV 1 ASSI { 492} (( segid " A" and resid 227 and name HA )) (( segid " A" and resid 227 and name HN )) 6.000 4.500 0.000 peak 492 spectrum 1 weight 0.10000E+01 volume 0.14395E-02 ppm1 4.240 ppm2 7.943 CV 1 ASSI { 493} (( segid " A" and resid 129 and name HA )) (( segid " A" and resid 130 and name HN )) 6.000 4.500 0.000 peak 493 spectrum 1 weight 0.10000E+01 volume 0.14969E-02 ppm1 3.688 ppm2 7.934 CV 1 ASSI { 494} (( segid " A" and resid 130 and name HA )) (( segid " A" and resid 130 and name HN )) 6.000 4.500 0.000 peak 494 spectrum 1 weight 0.10000E+01 volume 0.36941E-02 ppm1 4.053 ppm2 7.948 CV 1 ASSI { 495} (( segid " A" and resid 224 and name HA )) (( segid " A" and resid 227 and name HN )) 6.000 4.500 0.000 peak 495 spectrum 1 weight 0.10000E+01 volume 0.97140E-03 ppm1 4.382 ppm2 7.945 CV 1 ASSI { 496} (( segid " A" and resid 265 and name HA )) (( segid " A" and resid 266 and name HN )) 6.000 4.500 0.000 peak 496 spectrum 1 weight 0.10000E+01 volume 0.91496E-03 ppm1 4.276 ppm2 7.936 CV 1 ASSI { 497} (( segid " A" and resid 131 and name HA )) (( segid " A" and resid 130 and name HN )) 6.000 4.500 0.000 peak 497 spectrum 1 weight 0.10000E+01 volume 0.84003E-03 ppm1 4.216 ppm2 7.933 CV 1 ASSI { 498} (( segid " A" and resid 247 and name HA2 )) (( segid " A" and resid 248 and name HN )) 6.000 4.500 0.000 peak 498 spectrum 1 weight 0.10000E+01 volume 0.82060E-03 ppm1 3.795 ppm2 7.948 CV 1 ASSI { 499} (( segid " A" and resid 243 and name HB1 )) (( segid " A" and resid 248 and name HN )) 6.000 4.500 0.000 peak 499 spectrum 1 weight 0.10000E+01 volume 0.91404E-03 ppm1 3.183 ppm2 7.945 CV 1 OR { 499} (( segid " A" and resid 129 and name HD1 )) (( segid " A" and resid 130 and name HN )) ASSI { 500} (( segid " A" and resid 274 and name HB1 )) (( segid " A" and resid 274 and name HN )) 6.000 4.500 0.000 peak 500 spectrum 1 weight 0.10000E+01 volume 0.16865E-02 ppm1 2.232 ppm2 7.926 CV 1 ASSI { 501} (( segid " A" and resid 265 and name HB2 )) (( segid " A" and resid 266 and name HN )) 6.000 4.500 0.000 peak 501 spectrum 1 weight 0.10000E+01 volume 0.12813E-02 ppm1 2.732 ppm2 7.929 CV 1 ASSI { 502} (( segid " A" and resid 130 and name HG2 )) (( segid " A" and resid 130 and name HN )) 6.000 4.500 0.000 peak 502 spectrum 1 weight 0.10000E+01 volume 0.25821E-02 ppm1 2.563 ppm2 7.949 CV 1 ASSI { 503} (( segid " A" and resid 130 and name HG1 )) (( segid " A" and resid 130 and name HN )) 6.000 4.500 0.000 peak 503 spectrum 1 weight 0.10000E+01 volume 0.29725E-02 ppm1 2.432 ppm2 7.944 CV 1 ASSI { 504} (( segid " A" and resid 195 and name HG2 )) (( segid " A" and resid 195 and name HE22)) 6.000 4.500 0.000 peak 504 spectrum 1 weight 0.10000E+01 volume 0.24109E-02 ppm1 2.389 ppm2 7.924 CV 1 OR { 504} (( segid " A" and resid 195 and name HG1 )) (( segid " A" and resid 195 and name HE22)) ASSI { 505} (( segid " A" and resid 248 and name HB2 )) (( segid " A" and resid 248 and name HN )) 6.000 4.500 0.000 peak 505 spectrum 1 weight 0.10000E+01 volume 0.15320E-02 ppm1 1.848 ppm2 7.948 CV 1 ASSI { 506} (( segid " A" and resid 248 and name HB1 )) (( segid " A" and resid 248 and name HN )) 6.000 4.500 0.000 peak 506 spectrum 1 weight 0.10000E+01 volume 0.15561E-02 ppm1 1.642 ppm2 7.940 CV 1 ASSI { 507} (( segid " A" and resid 226 and name HB2 )) (( segid " A" and resid 227 and name HN )) 6.000 4.500 0.000 peak 507 spectrum 1 weight 0.10000E+01 volume 0.11555E-02 ppm1 2.011 ppm2 7.943 CV 1 ASSI { 508} (( segid " A" and resid 228 and name HB )) (( segid " A" and resid 274 and name HN )) 6.000 4.500 0.000 peak 508 spectrum 1 weight 0.10000E+01 volume 0.81135E-03 ppm1 2.082 ppm2 7.945 CV 1 OR { 508} (( segid " A" and resid 228 and name HB )) (( segid " A" and resid 227 and name HN )) ASSI { 509} (( segid " A" and resid 129 and name HB2 )) (( segid " A" and resid 130 and name HN )) 6.000 4.500 0.000 peak 509 spectrum 1 weight 0.10000E+01 volume 0.14691E-02 ppm1 1.962 ppm2 7.948 CV 1 ASSI { 510} (( segid " A" and resid 129 and name HB1 )) (( segid " A" and resid 130 and name HN )) 6.000 4.500 0.000 peak 510 spectrum 1 weight 0.10000E+01 volume 0.20261E-02 ppm1 1.893 ppm2 7.926 CV 1 ASSI { 511} (( segid " A" and resid 130 and name HB2 )) (( segid " A" and resid 130 and name HN )) 6.000 4.500 0.000 peak 511 spectrum 1 weight 0.10000E+01 volume 0.82402E-02 ppm1 2.189 ppm2 7.947 CV 1 ASSI { 512} (( segid " A" and resid 248 and name HD1 )) (( segid " A" and resid 248 and name HN )) 6.000 4.500 0.000 peak 512 spectrum 1 weight 0.10000E+01 volume 0.14654E-02 ppm1 1.615 ppm2 7.950 CV 1 OR { 512} (( segid " A" and resid 248 and name HD2 )) (( segid " A" and resid 248 and name HN )) ASSI { 513} (( segid " A" and resid 264 and name HB1 )) (( segid " A" and resid 266 and name HN )) 6.000 4.500 0.000 peak 513 spectrum 1 weight 0.10000E+01 volume 0.95382E-03 ppm1 2.114 ppm2 7.939 CV 1 OR { 513} (( segid " A" and resid 264 and name HB2 )) (( segid " A" and resid 266 and name HN )) ASSI { 514} (( segid " A" and resid 198 and name HG12)) (( segid " A" and resid 195 and name HE22)) 6.000 4.500 0.000 peak 514 spectrum 1 weight 0.10000E+01 volume 0.13655E-02 ppm1 1.626 ppm2 7.940 CV 1 ASSI { 515} (( segid " A" and resid 248 and name HG1 )) (( segid " A" and resid 248 and name HN )) 6.000 4.500 0.000 peak 515 spectrum 1 weight 0.10000E+01 volume 0.30243E-02 ppm1 1.375 ppm2 7.945 CV 1 OR { 515} (( segid " A" and resid 248 and name HG2 )) (( segid " A" and resid 248 and name HN )) ASSI { 516} ( segid " A" and resid 228 and name HG1%) (( segid " A" and resid 274 and name HN )) 6.000 4.500 0.000 peak 516 spectrum 1 weight 0.10000E+01 volume 0.17050E-02 ppm1 1.005 ppm2 7.928 CV 1 OR { 516} ( segid " A" and resid 228 and name HG1%) (( segid " A" and resid 227 and name HN )) OR { 516} ( segid " A" and resid 267 and name HG2%) (( segid " A" and resid 266 and name HN )) ASSI { 517} ( segid " A" and resid 246 and name HG2%) (( segid " A" and resid 248 and name HN )) 6.000 4.500 0.000 peak 517 spectrum 1 weight 0.10000E+01 volume 0.82707E-03 ppm1 1.207 ppm2 7.951 CV 1 ASSI { 518} ( segid " A" and resid 266 and name HB% ) (( segid " A" and resid 266 and name HN )) 6.000 4.500 0.000 peak 518 spectrum 1 weight 0.10000E+01 volume 0.55749E-02 ppm1 1.265 ppm2 7.936 CV 1 ASSI { 519} (( segid " A" and resid 273 and name HA )) (( segid " A" and resid 274 and name HN )) 6.000 4.500 0.000 peak 519 spectrum 1 weight 0.10000E+01 volume 0.23221E-02 ppm1 4.318 ppm2 7.922 CV 1 ASSI { 520} (( segid " A" and resid 274 and name HA )) (( segid " A" and resid 274 and name HN )) 6.000 4.500 0.000 peak 520 spectrum 1 weight 0.10000E+01 volume 0.11870E-02 ppm1 4.334 ppm2 7.916 CV 1 ASSI { 521} (( segid " A" and resid 274 and name HB2 )) (( segid " A" and resid 274 and name HN )) 6.000 4.500 0.000 peak 521 spectrum 1 weight 0.10000E+01 volume 0.13674E-02 ppm1 2.482 ppm2 7.922 CV 1 ASSI { 522} (( segid " A" and resid 272 and name HG )) (( segid " A" and resid 271 and name HD21)) 6.000 4.500 0.000 peak 522 spectrum 1 weight 0.10000E+01 volume 0.10648E-02 ppm1 1.514 ppm2 7.904 CV 1 OR { 522} (( segid " A" and resid 225 and name HG12)) (( segid " A" and resid 220 and name HN )) OR { 522} (( segid " A" and resid 272 and name HG )) (( segid " A" and resid 274 and name HN )) ASSI { 523} ( segid " A" and resid 272 and name HD1%) (( segid " A" and resid 271 and name HD21)) 6.000 4.500 0.000 peak 523 spectrum 1 weight 0.10000E+01 volume 0.19650E-02 ppm1 0.821 ppm2 7.912 CV 1 ASSI { 524} ( segid " A" and resid 272 and name HD2%) (( segid " A" and resid 271 and name HD21)) 6.000 4.500 0.000 peak 524 spectrum 1 weight 0.10000E+01 volume 0.14599E-02 ppm1 0.718 ppm2 7.906 CV 1 ASSI { 525} (( segid " A" and resid 220 and name HB1 )) (( segid " A" and resid 220 and name HN )) 6.000 4.500 0.000 peak 525 spectrum 1 weight 0.10000E+01 volume 0.86038E-03 ppm1 2.002 ppm2 7.881 CV 1 ASSI { 526} (( segid " A" and resid 220 and name HB2 )) (( segid " A" and resid 220 and name HN )) 6.000 4.500 0.000 peak 526 spectrum 1 weight 0.10000E+01 volume 0.78359E-03 ppm1 1.300 ppm2 7.884 CV 1 ASSI { 527} (( segid " A" and resid 271 and name HB1 )) (( segid " A" and resid 271 and name HN )) 6.000 4.500 0.000 peak 527 spectrum 1 weight 0.10000E+01 volume 0.27347E-02 ppm1 2.848 ppm2 7.870 CV 1 ASSI { 528} (( segid " A" and resid 220 and name HG )) (( segid " A" and resid 220 and name HN )) 6.000 4.500 0.000 peak 528 spectrum 1 weight 0.10000E+01 volume 0.15246E-02 ppm1 1.622 ppm2 7.890 CV 1 ASSI { 529} ( segid " A" and resid 220 and name HD2%) (( segid " A" and resid 220 and name HN )) 6.000 4.500 0.000 peak 529 spectrum 1 weight 0.10000E+01 volume 0.13692E-02 ppm1 0.925 ppm2 7.882 CV 1 ASSI { 530} ( segid " A" and resid 220 and name HD1%) (( segid " A" and resid 220 and name HN )) 6.000 4.500 0.000 peak 530 spectrum 1 weight 0.10000E+01 volume 0.16838E-02 ppm1 0.717 ppm2 7.880 CV 1 ASSI { 531} (( segid " A" and resid 271 and name HB2 )) (( segid " A" and resid 271 and name HN )) 6.000 4.500 0.000 peak 531 spectrum 1 weight 0.10000E+01 volume 0.26635E-02 ppm1 2.939 ppm2 7.862 CV 1 ASSI { 532} (( segid " A" and resid 282 and name HB )) (( segid " A" and resid 271 and name HN )) 6.000 4.500 0.000 peak 532 spectrum 1 weight 0.10000E+01 volume 0.95474E-03 ppm1 1.797 ppm2 7.844 CV 1 ASSI { 533} ( segid " A" and resid 107 and name HB% ) (( segid " A" and resid 107 and name HN )) 6.000 4.500 0.000 peak 533 spectrum 1 weight 0.10000E+01 volume 0.44249E-02 ppm1 1.492 ppm2 7.841 CV 1 ASSI { 534} (( segid " A" and resid 200 and name HA )) (( segid " A" and resid 203 and name HN )) 6.000 4.500 0.000 peak 534 spectrum 1 weight 0.10000E+01 volume 0.17864E-02 ppm1 4.152 ppm2 7.822 CV 1 ASSI { 535} (( segid " A" and resid 203 and name HA )) (( segid " A" and resid 203 and name HN )) 6.000 4.500 0.000 peak 535 spectrum 1 weight 0.10000E+01 volume 0.39207E-02 ppm1 4.080 ppm2 7.810 CV 1 ASSI { 536} (( segid " A" and resid 107 and name HA )) (( segid " A" and resid 107 and name HN )) 6.000 4.500 0.000 peak 536 spectrum 1 weight 0.10000E+01 volume 0.23443E-02 ppm1 3.947 ppm2 7.824 CV 1 ASSI { 537} (( segid " A" and resid 203 and name HG1 )) (( segid " A" and resid 203 and name HN )) 6.000 4.500 0.000 peak 537 spectrum 1 weight 0.10000E+01 volume 0.27717E-02 ppm1 2.334 ppm2 7.813 CV 1 ASSI { 538} (( segid " A" and resid 203 and name HG2 )) (( segid " A" and resid 203 and name HN )) 6.000 4.500 0.000 peak 538 spectrum 1 weight 0.10000E+01 volume 0.27680E-02 ppm1 2.316 ppm2 7.815 CV 1 ASSI { 539} (( segid " A" and resid 203 and name HB1 )) (( segid " A" and resid 203 and name HN )) 6.000 4.500 0.000 peak 539 spectrum 1 weight 0.10000E+01 volume 0.73364E-02 ppm1 2.197 ppm2 7.810 CV 1 OR { 539} (( segid " A" and resid 203 and name HB2 )) (( segid " A" and resid 203 and name HN )) ASSI { 540} ( segid " A" and resid 202 and name HB% ) (( segid " A" and resid 203 and name HN )) 6.000 4.500 0.000 peak 540 spectrum 1 weight 0.10000E+01 volume 0.46229E-02 ppm1 1.581 ppm2 7.817 CV 1 ASSI { 541} (( segid " A" and resid 123 and name HB2 )) (( segid " A" and resid 123 and name HN )) 6.000 4.500 0.000 peak 541 spectrum 1 weight 0.10000E+01 volume 0.10769E-02 ppm1 1.933 ppm2 7.789 CV 1 ASSI { 542} (( segid " A" and resid 123 and name HB1 )) (( segid " A" and resid 123 and name HN )) 6.000 4.500 0.000 peak 542 spectrum 1 weight 0.10000E+01 volume 0.82707E-03 ppm1 1.380 ppm2 7.786 CV 1 ASSI { 543} (( segid " A" and resid 123 and name HG )) (( segid " A" and resid 123 and name HN )) 6.000 4.500 0.000 peak 543 spectrum 1 weight 0.10000E+01 volume 0.11518E-02 ppm1 1.840 ppm2 7.793 CV 1 ASSI { 544} ( segid " A" and resid 123 and name HD2%) (( segid " A" and resid 123 and name HN )) 6.000 4.500 0.000 peak 544 spectrum 1 weight 0.10000E+01 volume 0.14599E-02 ppm1 0.967 ppm2 7.780 CV 1 ASSI { 546} (( segid " A" and resid 268 and name HB1 )) (( segid " A" and resid 268 and name HN )) 6.000 4.500 0.000 peak 546 spectrum 1 weight 0.10000E+01 volume 0.32426E-02 ppm1 3.981 ppm2 7.760 CV 1 ASSI { 547} (( segid " A" and resid 268 and name HB2 )) (( segid " A" and resid 268 and name HN )) 6.000 4.500 0.000 peak 547 spectrum 1 weight 0.10000E+01 volume 0.26413E-02 ppm1 3.951 ppm2 7.755 CV 1 ASSI { 548} (( segid " A" and resid 268 and name HA )) (( segid " A" and resid 268 and name HN )) 6.000 4.500 0.000 peak 548 spectrum 1 weight 0.10000E+01 volume 0.26829E-02 ppm1 4.235 ppm2 7.763 CV 1 ASSI { 549} (( segid " A" and resid 131 and name HA )) (( segid " A" and resid 131 and name HN )) 6.000 4.500 0.000 peak 549 spectrum 1 weight 0.10000E+01 volume 0.24220E-02 ppm1 4.221 ppm2 7.759 CV 1 ASSI { 550} (( segid " A" and resid 284 and name HE2 )) (( segid " A" and resid 285 and name HN )) 6.000 4.500 0.000 peak 550 spectrum 1 weight 0.10000E+01 volume 0.13970E-02 ppm1 3.011 ppm2 7.758 CV 1 OR { 550} (( segid " A" and resid 284 and name HE1 )) (( segid " A" and resid 285 and name HN )) ASSI { 551} (( segid " A" and resid 270 and name HG1 )) (( segid " A" and resid 270 and name HN )) 6.000 4.500 0.000 peak 551 spectrum 1 weight 0.10000E+01 volume 0.86130E-03 ppm1 1.627 ppm2 7.760 CV 1 ASSI { 552} (( segid " A" and resid 172 and name HB2 )) (( segid " A" and resid 172 and name HE21)) 6.000 4.500 0.000 peak 552 spectrum 1 weight 0.10000E+01 volume 0.10833E-02 ppm1 1.763 ppm2 7.754 CV 1 OR { 552} (( segid " A" and resid 284 and name HD2 )) (( segid " A" and resid 285 and name HN )) OR { 552} (( segid " A" and resid 284 and name HD1 )) (( segid " A" and resid 285 and name HN )) ASSI { 553} ( segid " A" and resid 280 and name HD1%) (( segid " A" and resid 281 and name HN )) 6.000 4.500 0.000 peak 553 spectrum 1 weight 0.10000E+01 volume 0.91034E-03 ppm1 1.070 ppm2 7.773 CV 1 ASSI { 554} ( segid " A" and resid 168 and name HD2%) (( segid " A" and resid 169 and name HN )) 6.000 4.500 0.000 peak 554 spectrum 1 weight 0.10000E+01 volume 0.17467E-02 ppm1 1.030 ppm2 7.757 CV 1 OR { 554} ( segid " A" and resid 168 and name HD2%) (( segid " A" and resid 172 and name HE21)) ASSI { 555} ( segid " A" and resid 178 and name HD1%) (( segid " A" and resid 131 and name HN )) 6.000 4.500 0.000 peak 555 spectrum 1 weight 0.10000E+01 volume 0.13729E-02 ppm1 0.828 ppm2 7.759 CV 1 OR { 555} ( segid " A" and resid 272 and name HD1%) (( segid " A" and resid 270 and name HN )) OR { 555} ( segid " A" and resid 272 and name HD1%) (( segid " A" and resid 172 and name HE21)) OR { 555} ( segid " A" and resid 272 and name HD1%) (( segid " A" and resid 281 and name HN )) OR { 555} ( segid " A" and resid 272 and name HD1%) (( segid " A" and resid 268 and name HN )) ASSI { 556} ( segid " A" and resid 168 and name HD1%) (( segid " A" and resid 172 and name HE21)) 6.000 4.500 0.000 peak 556 spectrum 1 weight 0.10000E+01 volume 0.32139E-02 ppm1 0.914 ppm2 7.773 CV 1 OR { 556} ( segid " A" and resid 168 and name HD1%) (( segid " A" and resid 281 and name HN )) ASSI { 557} ( segid " A" and resid 127 and name HG2%) (( segid " A" and resid 131 and name HN )) 6.000 4.500 0.000 peak 557 spectrum 1 weight 0.10000E+01 volume 0.77527E-03 ppm1 1.338 ppm2 7.756 CV 1 ASSI { 558} ( segid " A" and resid 123 and name HD1%) (( segid " A" and resid 123 and name HN )) 6.000 4.500 0.000 peak 558 spectrum 1 weight 0.10000E+01 volume 0.16208E-02 ppm1 0.948 ppm2 7.775 CV 1 ASSI { 559} ( segid " A" and resid 214 and name HB% ) (( segid " A" and resid 281 and name HN )) 6.000 4.500 0.000 peak 559 spectrum 1 weight 0.10000E+01 volume 0.74289E-03 ppm1 1.290 ppm2 7.760 CV 1 ASSI { 560} ( segid " A" and resid 272 and name HD2%) (( segid " A" and resid 270 and name HN )) 6.000 4.500 0.000 peak 560 spectrum 1 weight 0.10000E+01 volume 0.75954E-03 ppm1 0.719 ppm2 7.774 CV 1 OR { 560} ( segid " A" and resid 272 and name HD2%) (( segid " A" and resid 268 and name HN )) ASSI { 561} ( segid " A" and resid 213 and name HG2%) (( segid " A" and resid 281 and name HN )) 6.000 4.500 0.000 peak 561 spectrum 1 weight 0.10000E+01 volume 0.11999E-02 ppm1 0.420 ppm2 7.760 CV 1 ASSI { 562} ( segid " A" and resid 131 and name HB% ) (( segid " A" and resid 131 and name HN )) 6.000 4.500 0.000 peak 562 spectrum 1 weight 0.10000E+01 volume 0.83873E-02 ppm1 1.460 ppm2 7.755 CV 1 ASSI { 563} ( segid " A" and resid 225 and name HG2%) (( segid " A" and resid 281 and name HN )) 6.000 4.500 0.000 peak 563 spectrum 1 weight 0.10000E+01 volume 0.16449E-02 ppm1 0.631 ppm2 7.767 CV 1 OR { 563} ( segid " A" and resid 225 and name HG2%) (( segid " A" and resid 270 and name HN )) ASSI { 564} ( segid " A" and resid 270 and name HE% ) (( segid " A" and resid 270 and name HN )) 6.000 4.500 0.000 peak 564 spectrum 1 weight 0.10000E+01 volume 0.12573E-02 ppm1 0.199 ppm2 7.764 CV 1 ASSI { 566} (( segid " A" and resid 267 and name HA )) (( segid " A" and resid 267 and name HN )) 6.000 4.500 0.000 peak 566 spectrum 1 weight 0.10000E+01 volume 0.20649E-02 ppm1 3.490 ppm2 7.731 CV 1 ASSI { 567} (( segid " A" and resid 140 and name HB1 )) (( segid " A" and resid 140 and name HN )) 6.000 4.500 0.000 peak 567 spectrum 1 weight 0.10000E+01 volume 0.10417E-02 ppm1 3.781 ppm2 7.735 CV 1 ASSI { 568} (( segid " A" and resid 140 and name HB2 )) (( segid " A" and resid 140 and name HN )) 6.000 4.500 0.000 peak 568 spectrum 1 weight 0.10000E+01 volume 0.98342E-03 ppm1 3.709 ppm2 7.736 CV 1 ASSI { 569} (( segid " A" and resid 149 and name HA )) (( segid " A" and resid 149 and name HN )) 6.000 4.500 0.000 peak 569 spectrum 1 weight 0.10000E+01 volume 0.11592E-02 ppm1 4.107 ppm2 7.730 CV 1 ASSI { 570} (( segid " A" and resid 138 and name HA )) (( segid " A" and resid 140 and name HN )) 6.000 4.500 0.000 peak 570 spectrum 1 weight 0.10000E+01 volume 0.94919E-03 ppm1 3.774 ppm2 7.734 CV 1 ASSI { 571} (( segid " A" and resid 135 and name HA )) (( segid " A" and resid 136 and name HN )) 6.000 4.500 0.000 peak 571 spectrum 1 weight 0.10000E+01 volume 0.15996E-02 ppm1 3.891 ppm2 7.733 CV 1 ASSI { 572} (( segid " A" and resid 211 and name HA )) (( segid " A" and resid 285 and name HN )) 6.000 4.500 0.000 peak 572 spectrum 1 weight 0.10000E+01 volume 0.14617E-02 ppm1 5.096 ppm2 7.728 CV 1 ASSI { 573} (( segid " A" and resid 264 and name HA )) (( segid " A" and resid 267 and name HN )) 6.000 4.500 0.000 peak 573 spectrum 1 weight 0.10000E+01 volume 0.12221E-02 ppm1 3.953 ppm2 7.735 CV 1 OR { 573} (( segid " A" and resid 264 and name HA )) (( segid " A" and resid 268 and name HN )) ASSI { 574} (( segid " A" and resid 284 and name HA )) (( segid " A" and resid 285 and name HN )) 6.000 4.500 0.000 peak 574 spectrum 1 weight 0.10000E+01 volume 0.12591E-02 ppm1 4.433 ppm2 7.735 CV 1 ASSI { 575} (( segid " A" and resid 165 and name HA )) (( segid " A" and resid 169 and name HN )) 6.000 4.500 0.000 peak 575 spectrum 1 weight 0.10000E+01 volume 0.79099E-03 ppm1 3.650 ppm2 7.737 CV 1 OR { 575} (( segid " A" and resid 166 and name HA )) (( segid " A" and resid 169 and name HN )) ASSI { 576} (( segid " A" and resid 139 and name HB2 )) (( segid " A" and resid 140 and name HN )) 6.000 4.500 0.000 peak 576 spectrum 1 weight 0.10000E+01 volume 0.11176E-02 ppm1 1.546 ppm2 7.731 CV 1 ASSI { 577} (( segid " A" and resid 139 and name HB1 )) (( segid " A" and resid 140 and name HN )) 6.000 4.500 0.000 peak 577 spectrum 1 weight 0.10000E+01 volume 0.12462E-02 ppm1 1.428 ppm2 7.727 CV 1 ASSI { 579} (( segid " A" and resid 284 and name HB2 )) (( segid " A" and resid 285 and name HN )) 6.000 4.500 0.000 peak 579 spectrum 1 weight 0.10000E+01 volume 0.15061E-02 ppm1 1.995 ppm2 7.736 CV 1 ASSI { 580} (( segid " A" and resid 284 and name HB1 )) (( segid " A" and resid 285 and name HN )) 6.000 4.500 0.000 peak 580 spectrum 1 weight 0.10000E+01 volume 0.84465E-03 ppm1 1.848 ppm2 7.728 CV 1 ASSI { 581} (( segid " A" and resid 148 and name HB )) (( segid " A" and resid 149 and name HN )) 6.000 4.500 0.000 peak 581 spectrum 1 weight 0.10000E+01 volume 0.13072E-02 ppm1 2.255 ppm2 7.740 CV 1 ASSI { 582} (( segid " A" and resid 267 and name HB )) (( segid " A" and resid 267 and name HN )) 6.000 4.500 0.000 peak 582 spectrum 1 weight 0.10000E+01 volume 0.76620E-02 ppm1 2.080 ppm2 7.735 CV 1 ASSI { 583} (( segid " A" and resid 284 and name HG1 )) (( segid " A" and resid 285 and name HN )) 6.000 4.500 0.000 peak 583 spectrum 1 weight 0.10000E+01 volume 0.82060E-03 ppm1 1.552 ppm2 7.733 CV 1 OR { 583} (( segid " A" and resid 284 and name HG2 )) (( segid " A" and resid 285 and name HN )) ASSI { 584} (( segid " A" and resid 139 and name HG2 )) (( segid " A" and resid 140 and name HN )) 6.000 4.500 0.000 peak 584 spectrum 1 weight 0.10000E+01 volume 0.91681E-03 ppm1 1.397 ppm2 7.726 CV 1 ASSI { 585} ( segid " A" and resid 267 and name HG2%) (( segid " A" and resid 267 and name HN )) 6.000 4.500 0.000 peak 585 spectrum 1 weight 0.10000E+01 volume 0.83984E-02 ppm1 1.007 ppm2 7.732 CV 1 ASSI { 586} ( segid " A" and resid 149 and name HG2%) (( segid " A" and resid 149 and name HN )) 6.000 4.500 0.000 peak 586 spectrum 1 weight 0.10000E+01 volume 0.16652E-02 ppm1 1.117 ppm2 7.734 CV 1 ASSI { 587} ( segid " A" and resid 267 and name HG1%) (( segid " A" and resid 267 and name HN )) 6.000 4.500 0.000 peak 587 spectrum 1 weight 0.10000E+01 volume 0.50984E-02 ppm1 0.977 ppm2 7.739 CV 1 ASSI { 588} ( segid " A" and resid 148 and name HG2%) (( segid " A" and resid 149 and name HN )) 6.000 4.500 0.000 peak 588 spectrum 1 weight 0.10000E+01 volume 0.10399E-02 ppm1 0.892 ppm2 7.736 CV 1 ASSI { 589} ( segid " A" and resid 285 and name HB% ) (( segid " A" and resid 285 and name HN )) 6.000 4.500 0.000 peak 589 spectrum 1 weight 0.10000E+01 volume 0.44092E-02 ppm1 1.533 ppm2 7.730 CV 1 ASSI { 590} ( segid " A" and resid 266 and name HB% ) (( segid " A" and resid 267 and name HN )) 6.000 4.500 0.000 peak 590 spectrum 1 weight 0.10000E+01 volume 0.50688E-02 ppm1 1.265 ppm2 7.725 CV 1 ASSI { 591} ( segid " A" and resid 211 and name HG2%) (( segid " A" and resid 285 and name HN )) 6.000 4.500 0.000 peak 591 spectrum 1 weight 0.10000E+01 volume 0.22777E-02 ppm1 0.974 ppm2 7.728 CV 1 ASSI { 592} ( segid " A" and resid 138 and name HG2%) (( segid " A" and resid 140 and name HN )) 6.000 4.500 0.000 peak 592 spectrum 1 weight 0.10000E+01 volume 0.40364E-02 ppm1 0.550 ppm2 7.734 CV 1 ASSI { 593} ( segid " A" and resid 211 and name HD1%) (( segid " A" and resid 267 and name HN )) 6.000 4.500 0.000 peak 593 spectrum 1 weight 0.10000E+01 volume 0.18105E-02 ppm1 0.750 ppm2 7.727 CV 1 ASSI { 594} (( segid " A" and resid 229 and name HA )) ( segid " A" and resid 229 and name HD% ) 6.000 4.500 0.000 peak 594 spectrum 1 weight 0.10000E+01 volume 0.94919E-03 ppm1 4.201 ppm2 7.694 CV 1 ASSI { 596} (( segid " A" and resid 207 and name HA )) (( segid " A" and resid 208 and name HN )) 6.000 4.500 0.000 peak 596 spectrum 1 weight 0.10000E+01 volume 0.17291E-02 ppm1 4.130 ppm2 7.713 CV 1 ASSI { 597} (( segid " A" and resid 264 and name HB1 )) (( segid " A" and resid 267 and name HN )) 6.000 4.500 0.000 peak 597 spectrum 1 weight 0.10000E+01 volume 0.10426E-02 ppm1 2.087 ppm2 7.718 CV 1 OR { 597} (( segid " A" and resid 264 and name HB2 )) (( segid " A" and resid 267 and name HN )) OR { 597} (( segid " A" and resid 230 and name HB2 )) ( segid " A" and resid 229 and name HD% ) ASSI { 598} ( segid " A" and resid 207 and name HB% ) (( segid " A" and resid 208 and name HN )) 6.000 4.500 0.000 peak 598 spectrum 1 weight 0.10000E+01 volume 0.32102E-02 ppm1 1.167 ppm2 7.712 CV 1 ASSI { 599} (( segid " A" and resid 197 and name HA )) (( segid " A" and resid 200 and name HN )) 6.000 4.500 0.000 peak 599 spectrum 1 weight 0.10000E+01 volume 0.10870E-02 ppm1 3.903 ppm2 7.667 CV 1 ASSI { 600} (( segid " A" and resid 200 and name HA )) (( segid " A" and resid 200 and name HN )) 6.000 4.500 0.000 peak 600 spectrum 1 weight 0.10000E+01 volume 0.24146E-02 ppm1 4.149 ppm2 7.660 CV 1 ASSI { 601} (( segid " A" and resid 200 and name HG1 )) (( segid " A" and resid 200 and name HN )) 6.000 4.500 0.000 peak 601 spectrum 1 weight 0.10000E+01 volume 0.25229E-02 ppm1 2.568 ppm2 7.666 CV 1 ASSI { 602} (( segid " A" and resid 200 and name HG2 )) (( segid " A" and resid 200 and name HN )) 6.000 4.500 0.000 peak 602 spectrum 1 weight 0.10000E+01 volume 0.28827E-02 ppm1 2.368 ppm2 7.667 CV 1 ASSI { 603} (( segid " A" and resid 200 and name HB1 )) (( segid " A" and resid 200 and name HN )) 6.000 4.500 0.000 peak 603 spectrum 1 weight 0.10000E+01 volume 0.30280E-02 ppm1 2.278 ppm2 7.666 CV 1 ASSI { 604} ( segid " A" and resid 127 and name HG2%) (( segid " A" and resid 127 and name HN )) 6.000 4.500 0.000 peak 604 spectrum 1 weight 0.10000E+01 volume 0.83170E-03 ppm1 1.336 ppm2 7.669 CV 1 ASSI { 605} ( segid " A" and resid 202 and name HB% ) (( segid " A" and resid 200 and name HN )) 6.000 4.500 0.000 peak 605 spectrum 1 weight 0.10000E+01 volume 0.10704E-02 ppm1 1.581 ppm2 7.678 CV 1 ASSI { 606} ( segid " A" and resid 225 and name HG2%) (( segid " A" and resid 224 and name HN )) 6.000 4.500 0.000 peak 606 spectrum 1 weight 0.10000E+01 volume 0.19261E-02 ppm1 0.630 ppm2 7.662 CV 1 OR { 606} ( segid " A" and resid 225 and name HG2%) (( segid " A" and resid 213 and name HN )) ASSI { 607} (( segid " A" and resid 245 and name HB )) (( segid " A" and resid 246 and name HN )) 6.000 4.500 0.000 peak 607 spectrum 1 weight 0.10000E+01 volume 0.93346E-03 ppm1 4.294 ppm2 7.645 CV 1 ASSI { 608} (( segid " A" and resid 127 and name HA )) (( segid " A" and resid 127 and name HN )) 6.000 4.500 0.000 peak 608 spectrum 1 weight 0.10000E+01 volume 0.11870E-02 ppm1 4.015 ppm2 7.632 CV 1 ASSI { 609} (( segid " A" and resid 224 and name HA )) (( segid " A" and resid 224 and name HN )) 6.000 4.500 0.000 peak 609 spectrum 1 weight 0.10000E+01 volume 0.84743E-03 ppm1 4.379 ppm2 7.639 CV 1 ASSI { 610} (( segid " A" and resid 224 and name HB2 )) (( segid " A" and resid 224 and name HN )) 6.000 4.500 0.000 peak 610 spectrum 1 weight 0.10000E+01 volume 0.11814E-02 ppm1 2.527 ppm2 7.648 CV 1 ASSI { 611} (( segid " A" and resid 223 and name HB1 )) (( segid " A" and resid 224 and name HN )) 6.000 4.500 0.000 peak 611 spectrum 1 weight 0.10000E+01 volume 0.10306E-02 ppm1 2.627 ppm2 7.647 CV 1 ASSI { 612} (( segid " A" and resid 199 and name HB2 )) (( segid " A" and resid 200 and name HN )) 6.000 4.500 0.000 peak 612 spectrum 1 weight 0.10000E+01 volume 0.16680E-02 ppm1 2.706 ppm2 7.655 CV 1 ASSI { 613} (( segid " A" and resid 213 and name HB )) (( segid " A" and resid 213 and name HN )) 6.000 4.500 0.000 peak 613 spectrum 1 weight 0.10000E+01 volume 0.21806E-02 ppm1 1.235 ppm2 7.650 CV 1 ASSI { 614} ( segid " A" and resid 168 and name HD2%) (( segid " A" and resid 213 and name HN )) 6.000 4.500 0.000 peak 614 spectrum 1 weight 0.10000E+01 volume 0.10695E-02 ppm1 1.034 ppm2 7.643 CV 1 OR { 614} ( segid " A" and resid 168 and name HD2%) (( segid " A" and resid 171 and name HN )) ASSI { 616} ( segid " A" and resid 245 and name HG2%) (( segid " A" and resid 246 and name HN )) 6.000 4.500 0.000 peak 616 spectrum 1 weight 0.10000E+01 volume 0.90109E-03 ppm1 1.255 ppm2 7.656 CV 1 ASSI { 618} ( segid " A" and resid 246 and name HG2%) (( segid " A" and resid 246 and name HN )) 6.000 4.500 0.000 peak 618 spectrum 1 weight 0.10000E+01 volume 0.24932E-02 ppm1 1.204 ppm2 7.648 CV 1 ASSI { 619} ( segid " A" and resid 213 and name HG2%) (( segid " A" and resid 213 and name HN )) 6.000 4.500 0.000 peak 619 spectrum 1 weight 0.10000E+01 volume 0.27088E-02 ppm1 0.421 ppm2 7.647 CV 1 ASSI { 620} ( segid " A" and resid 213 and name HG1%) (( segid " A" and resid 213 and name HN )) 6.000 4.500 0.000 peak 620 spectrum 1 weight 0.10000E+01 volume 0.26977E-02 ppm1 0.357 ppm2 7.648 CV 1 ASSI { 621} ( segid " A" and resid 255 and name HD1%) (( segid " A" and resid 213 and name HN )) 6.000 4.500 0.000 peak 621 spectrum 1 weight 0.10000E+01 volume 0.12184E-02 ppm1 -0.114 ppm2 7.653 CV 1 ASSI { 622} (( segid " A" and resid 127 and name HB )) (( segid " A" and resid 127 and name HN )) 6.000 4.500 0.000 peak 622 spectrum 1 weight 0.10000E+01 volume 0.77249E-03 ppm1 4.175 ppm2 7.626 CV 1 ASSI { 623} (( segid " A" and resid 191 and name HA )) (( segid " A" and resid 191 and name HN )) 6.000 4.500 0.000 peak 623 spectrum 1 weight 0.10000E+01 volume 0.12129E-02 ppm1 4.044 ppm2 7.616 CV 1 ASSI { 624} (( segid " A" and resid 273 and name HA )) (( segid " A" and resid 273 and name HN )) 6.000 4.500 0.000 peak 624 spectrum 1 weight 0.10000E+01 volume 0.12554E-02 ppm1 4.313 ppm2 7.607 CV 1 ASSI { 625} (( segid " A" and resid 170 and name HA )) (( segid " A" and resid 171 and name HN )) 6.000 4.500 0.000 peak 625 spectrum 1 weight 0.10000E+01 volume 0.73734E-03 ppm1 3.757 ppm2 7.616 CV 1 ASSI { 626} (( segid " A" and resid 230 and name HA )) (( segid " A" and resid 233 and name HN )) 6.000 4.500 0.000 peak 626 spectrum 1 weight 0.10000E+01 volume 0.92976E-03 ppm1 5.068 ppm2 7.624 CV 1 ASSI { 627} (( segid " A" and resid 109 and name HA )) (( segid " A" and resid 110 and name HN )) 6.000 4.500 0.000 peak 627 spectrum 1 weight 0.10000E+01 volume 0.96029E-03 ppm1 4.135 ppm2 7.609 CV 1 ASSI { 628} (( segid " A" and resid 233 and name HA2 )) (( segid " A" and resid 233 and name HN )) 6.000 4.500 0.000 peak 628 spectrum 1 weight 0.10000E+01 volume 0.13109E-02 ppm1 3.913 ppm2 7.625 CV 1 ASSI { 629} (( segid " A" and resid 273 and name HB1 )) (( segid " A" and resid 273 and name HN )) 6.000 4.500 0.000 peak 629 spectrum 1 weight 0.10000E+01 volume 0.11324E-02 ppm1 3.335 ppm2 7.605 CV 1 ASSI { 630} (( segid " A" and resid 273 and name HB2 )) (( segid " A" and resid 273 and name HN )) 6.000 4.500 0.000 peak 630 spectrum 1 weight 0.10000E+01 volume 0.16921E-02 ppm1 3.009 ppm2 7.612 CV 1 ASSI { 631} (( segid " A" and resid 272 and name HB2 )) (( segid " A" and resid 273 and name HN )) 6.000 4.500 0.000 peak 631 spectrum 1 weight 0.10000E+01 volume 0.74844E-03 ppm1 2.052 ppm2 7.607 CV 1 ASSI { 632} (( segid " A" and resid 110 and name HB )) (( segid " A" and resid 110 and name HN )) 6.000 4.500 0.000 peak 632 spectrum 1 weight 0.10000E+01 volume 0.38097E-02 ppm1 1.896 ppm2 7.605 CV 1 ASSI { 633} (( segid " A" and resid 110 and name HG11)) (( segid " A" and resid 110 and name HN )) 6.000 4.500 0.000 peak 633 spectrum 1 weight 0.10000E+01 volume 0.22148E-02 ppm1 1.720 ppm2 7.605 CV 1 ASSI { 634} (( segid " A" and resid 110 and name HG12)) (( segid " A" and resid 110 and name HN )) 6.000 4.500 0.000 peak 634 spectrum 1 weight 0.10000E+01 volume 0.14802E-02 ppm1 1.058 ppm2 7.603 CV 1 ASSI { 635} ( segid " A" and resid 280 and name HD1%) (( segid " A" and resid 273 and name HN )) 6.000 4.500 0.000 peak 635 spectrum 1 weight 0.10000E+01 volume 0.16051E-02 ppm1 1.063 ppm2 7.617 CV 1 ASSI { 636} ( segid " A" and resid 185 and name HG1%) (( segid " A" and resid 171 and name HN )) 6.000 4.500 0.000 peak 636 spectrum 1 weight 0.10000E+01 volume 0.17735E-02 ppm1 0.999 ppm2 7.628 CV 1 OR { 636} ( segid " A" and resid 228 and name HG1%) (( segid " A" and resid 273 and name HN )) OR { 636} ( segid " A" and resid 282 and name HG1%) (( segid " A" and resid 273 and name HN )) OR { 636} ( segid " A" and resid 282 and name HG1%) (( segid " A" and resid 213 and name HN )) ASSI { 637} ( segid " A" and resid 272 and name HD2%) (( segid " A" and resid 273 and name HN )) 6.000 4.500 0.000 peak 637 spectrum 1 weight 0.10000E+01 volume 0.97972E-03 ppm1 0.718 ppm2 7.616 CV 1 ASSI { 638} ( segid " A" and resid 109 and name HB% ) (( segid " A" and resid 110 and name HN )) 6.000 4.500 0.000 peak 638 spectrum 1 weight 0.10000E+01 volume 0.38153E-02 ppm1 1.458 ppm2 7.602 CV 1 ASSI { 639} ( segid " A" and resid 191 and name HG2%) (( segid " A" and resid 191 and name HN )) 6.000 4.500 0.000 peak 639 spectrum 1 weight 0.10000E+01 volume 0.23369E-02 ppm1 0.918 ppm2 7.610 CV 1 ASSI { 640} ( segid " A" and resid 270 and name HE% ) (( segid " A" and resid 273 and name HN )) 6.000 4.500 0.000 peak 640 spectrum 1 weight 0.10000E+01 volume 0.89553E-03 ppm1 0.200 ppm2 7.610 CV 1 ASSI { 641} ( segid " A" and resid 235 and name HD1%) (( segid " A" and resid 233 and name HN )) 6.000 4.500 0.000 peak 641 spectrum 1 weight 0.10000E+01 volume 0.86038E-03 ppm1 0.690 ppm2 7.625 CV 1 ASSI { 642} ( segid " A" and resid 110 and name HD1%) (( segid " A" and resid 110 and name HN )) 6.000 4.500 0.000 peak 642 spectrum 1 weight 0.10000E+01 volume 0.20307E-02 ppm1 0.746 ppm2 7.607 CV 1 ASSI { 643} (( segid " A" and resid 110 and name HA )) (( segid " A" and resid 110 and name HN )) 6.000 4.500 0.000 peak 643 spectrum 1 weight 0.10000E+01 volume 0.18207E-02 ppm1 3.691 ppm2 7.598 CV 1 ASSI { 644} (( segid " A" and resid 272 and name HA )) (( segid " A" and resid 273 and name HN )) 6.000 4.500 0.000 peak 644 spectrum 1 weight 0.10000E+01 volume 0.10019E-02 ppm1 3.907 ppm2 7.596 CV 1 ASSI { 645} (( segid " A" and resid 107 and name HA )) (( segid " A" and resid 110 and name HN )) 6.000 4.500 0.000 peak 645 spectrum 1 weight 0.10000E+01 volume 0.12129E-02 ppm1 3.947 ppm2 7.592 CV 1 ASSI { 646} ( segid " A" and resid 110 and name HG2%) (( segid " A" and resid 110 and name HN )) 6.000 4.500 0.000 peak 646 spectrum 1 weight 0.10000E+01 volume 0.25895E-02 ppm1 0.854 ppm2 7.595 CV 1 ASSI { 647} ( segid " A" and resid 191 and name HD1%) (( segid " A" and resid 191 and name HN )) 6.000 4.500 0.000 peak 647 spectrum 1 weight 0.10000E+01 volume 0.10177E-02 ppm1 0.858 ppm2 7.599 CV 1 ASSI { 648} (( segid " A" and resid 206 and name HA )) (( segid " A" and resid 206 and name HN )) 6.000 4.500 0.000 peak 648 spectrum 1 weight 0.10000E+01 volume 0.34683E-02 ppm1 4.214 ppm2 7.491 CV 1 ASSI { 649} (( segid " A" and resid 203 and name HA )) (( segid " A" and resid 206 and name HN )) 6.000 4.500 0.000 peak 649 spectrum 1 weight 0.10000E+01 volume 0.22176E-02 ppm1 4.080 ppm2 7.494 CV 1 ASSI { 650} (( segid " A" and resid 206 and name HD1 )) (( segid " A" and resid 206 and name HN )) 6.000 4.500 0.000 peak 650 spectrum 1 weight 0.10000E+01 volume 0.16551E-02 ppm1 3.289 ppm2 7.494 CV 1 OR { 650} (( segid " A" and resid 206 and name HD2 )) (( segid " A" and resid 206 and name HN )) ASSI { 651} (( segid " A" and resid 206 and name HB2 )) (( segid " A" and resid 206 and name HN )) 6.000 4.500 0.000 peak 651 spectrum 1 weight 0.10000E+01 volume 0.59829E-02 ppm1 2.008 ppm2 7.489 CV 1 ASSI { 652} (( segid " A" and resid 206 and name HG1 )) (( segid " A" and resid 206 and name HN )) 6.000 4.500 0.000 peak 652 spectrum 1 weight 0.10000E+01 volume 0.30354E-02 ppm1 2.019 ppm2 7.487 CV 1 ASSI { 653} (( segid " A" and resid 232 and name HA )) (( segid " A" and resid 231 and name HN )) 6.000 4.500 0.000 peak 653 spectrum 1 weight 0.10000E+01 volume 0.10195E-02 ppm1 4.268 ppm2 7.465 CV 1 ASSI { 654} (( segid " A" and resid 230 and name HA )) (( segid " A" and resid 231 and name HN )) 6.000 4.500 0.000 peak 654 spectrum 1 weight 0.10000E+01 volume 0.75214E-03 ppm1 5.071 ppm2 7.474 CV 1 ASSI { 655} (( segid " A" and resid 205 and name HA )) (( segid " A" and resid 206 and name HN )) 6.000 4.500 0.000 peak 655 spectrum 1 weight 0.10000E+01 volume 0.44148E-02 ppm1 3.889 ppm2 7.476 CV 1 ASSI { 657} (( segid " A" and resid 236 and name HB1 )) (( segid " A" and resid 237 and name HN )) 6.000 4.500 0.000 peak 657 spectrum 1 weight 0.10000E+01 volume 0.17707E-02 ppm1 1.708 ppm2 7.458 CV 1 ASSI { 658} (( segid " A" and resid 236 and name HB2 )) (( segid " A" and resid 237 and name HN )) 6.000 4.500 0.000 peak 658 spectrum 1 weight 0.10000E+01 volume 0.15172E-02 ppm1 1.503 ppm2 7.460 CV 1 ASSI { 659} (( segid " A" and resid 125 and name HB2 )) (( segid " A" and resid 145 and name HZ2 )) 6.000 4.500 0.000 peak 659 spectrum 1 weight 0.10000E+01 volume 0.96492E-03 ppm1 2.158 ppm2 7.457 CV 1 OR { 659} (( segid " A" and resid 125 and name HB2 )) (( segid " A" and resid 128 and name HN )) OR { 659} (( segid " A" and resid 171 and name HB1 )) (( segid " A" and resid 168 and name HN )) ASSI { 660} (( segid " A" and resid 206 and name HG2 )) (( segid " A" and resid 206 and name HN )) 6.000 4.500 0.000 peak 660 spectrum 1 weight 0.10000E+01 volume 0.23850E-02 ppm1 1.764 ppm2 7.480 CV 1 ASSI { 661} (( segid " A" and resid 236 and name HG2 )) (( segid " A" and resid 237 and name HN )) 6.000 4.500 0.000 peak 661 spectrum 1 weight 0.10000E+01 volume 0.11870E-02 ppm1 1.351 ppm2 7.462 CV 1 OR { 661} (( segid " A" and resid 236 and name HG1 )) (( segid " A" and resid 237 and name HN )) ASSI { 662} ( segid " A" and resid 205 and name HB% ) (( segid " A" and resid 206 and name HN )) 6.000 4.500 0.000 peak 662 spectrum 1 weight 0.10000E+01 volume 0.63844E-02 ppm1 1.164 ppm2 7.483 CV 1 ASSI { 663} ( segid " A" and resid 231 and name HB% ) (( segid " A" and resid 231 and name HN )) 6.000 4.500 0.000 peak 663 spectrum 1 weight 0.10000E+01 volume 0.40725E-02 ppm1 0.943 ppm2 7.474 CV 1 ASSI { 664} ( segid " A" and resid 235 and name HG2%) (( segid " A" and resid 237 and name HN )) 6.000 4.500 0.000 peak 664 spectrum 1 weight 0.10000E+01 volume 0.36210E-02 ppm1 0.587 ppm2 7.462 CV 1 ASSI { 665} (( segid " A" and resid 127 and name HB )) (( segid " A" and resid 128 and name HN )) 6.000 4.500 0.000 peak 665 spectrum 1 weight 0.10000E+01 volume 0.13183E-02 ppm1 4.187 ppm2 7.444 CV 1 ASSI { 666} (( segid " A" and resid 110 and name HA )) (( segid " A" and resid 113 and name HN )) 6.000 4.500 0.000 peak 666 spectrum 1 weight 0.10000E+01 volume 0.13692E-02 ppm1 3.714 ppm2 7.444 CV 1 ASSI { 667} (( segid " A" and resid 128 and name HA )) (( segid " A" and resid 128 and name HN )) 6.000 4.500 0.000 peak 667 spectrum 1 weight 0.10000E+01 volume 0.98897E-03 ppm1 3.749 ppm2 7.437 CV 1 ASSI { 668} (( segid " A" and resid 112 and name HA )) (( segid " A" and resid 113 and name HN )) 6.000 4.500 0.000 peak 668 spectrum 1 weight 0.10000E+01 volume 0.17263E-02 ppm1 4.184 ppm2 7.436 CV 1 ASSI { 669} (( segid " A" and resid 125 and name HA )) (( segid " A" and resid 128 and name HN )) 6.000 4.500 0.000 peak 669 spectrum 1 weight 0.10000E+01 volume 0.82615E-03 ppm1 3.730 ppm2 7.447 CV 1 ASSI { 670} (( segid " A" and resid 167 and name HA )) (( segid " A" and resid 167 and name HN )) 6.000 4.500 0.000 peak 670 spectrum 1 weight 0.10000E+01 volume 0.15885E-02 ppm1 3.726 ppm2 7.429 CV 1 ASSI { 671} (( segid " A" and resid 108 and name HB1 )) (( segid " A" and resid 109 and name HN )) 6.000 4.500 0.000 peak 671 spectrum 1 weight 0.10000E+01 volume 0.10713E-02 ppm1 1.826 ppm2 7.433 CV 1 ASSI { 672} (( segid " A" and resid 108 and name HB2 )) (( segid " A" and resid 109 and name HN )) 6.000 4.500 0.000 peak 672 spectrum 1 weight 0.10000E+01 volume 0.10676E-02 ppm1 1.488 ppm2 7.429 CV 1 ASSI { 673} (( segid " A" and resid 256 and name HG1 )) (( segid " A" and resid 237 and name HN )) 6.000 4.500 0.000 peak 673 spectrum 1 weight 0.10000E+01 volume 0.10325E-02 ppm1 2.249 ppm2 7.439 CV 1 OR { 673} (( segid " A" and resid 125 and name HG2 )) (( segid " A" and resid 145 and name HZ2 )) OR { 673} (( segid " A" and resid 125 and name HG1 )) (( segid " A" and resid 128 and name HN )) OR { 673} (( segid " A" and resid 125 and name HG2 )) (( segid " A" and resid 128 and name HN )) OR { 673} (( segid " A" and resid 125 and name HG1 )) (( segid " A" and resid 145 and name HZ2 )) ASSI { 674} (( segid " A" and resid 128 and name HB )) (( segid " A" and resid 128 and name HN )) 6.000 4.500 0.000 peak 674 spectrum 1 weight 0.10000E+01 volume 0.19835E-02 ppm1 2.019 ppm2 7.438 CV 1 ASSI { 675} (( segid " A" and resid 113 and name HB2 )) (( segid " A" and resid 113 and name HN )) 6.000 4.500 0.000 peak 675 spectrum 1 weight 0.10000E+01 volume 0.19548E-02 ppm1 1.755 ppm2 7.428 CV 1 ASSI { 676} (( segid " A" and resid 256 and name HB1 )) (( segid " A" and resid 237 and name HN )) 6.000 4.500 0.000 peak 676 spectrum 1 weight 0.10000E+01 volume 0.11777E-02 ppm1 2.191 ppm2 7.440 CV 1 ASSI { 678} (( segid " A" and resid 218 and name HB2 )) (( segid " A" and resid 218 and name HE21)) 6.000 4.500 0.000 peak 678 spectrum 1 weight 0.10000E+01 volume 0.10954E-02 ppm1 1.793 ppm2 7.427 CV 1 OR { 678} (( segid " A" and resid 218 and name HB2 )) (( segid " A" and resid 249 and name HE1 )) ASSI { 679} (( segid " A" and resid 113 and name HG2 )) (( segid " A" and resid 113 and name HN )) 6.000 4.500 0.000 peak 679 spectrum 1 weight 0.10000E+01 volume 0.17966E-02 ppm1 1.750 ppm2 7.433 CV 1 ASSI { 680} (( segid " A" and resid 128 and name HG11)) (( segid " A" and resid 128 and name HN )) 6.000 4.500 0.000 peak 680 spectrum 1 weight 0.10000E+01 volume 0.13822E-02 ppm1 1.215 ppm2 7.440 CV 1 ASSI { 681} ( segid " A" and resid 108 and name HD2%) (( segid " A" and resid 109 and name HN )) 6.000 4.500 0.000 peak 681 spectrum 1 weight 0.10000E+01 volume 0.92884E-03 ppm1 0.883 ppm2 7.427 CV 1 ASSI { 682} ( segid " A" and resid 168 and name HD1%) (( segid " A" and resid 168 and name HN )) 6.000 4.500 0.000 peak 682 spectrum 1 weight 0.10000E+01 volume 0.15829E-02 ppm1 0.918 ppm2 7.454 CV 1 ASSI { 683} ( segid " A" and resid 127 and name HG2%) (( segid " A" and resid 128 and name HN )) 6.000 4.500 0.000 peak 683 spectrum 1 weight 0.10000E+01 volume 0.13840E-02 ppm1 1.337 ppm2 7.445 CV 1 ASSI { 684} ( segid " A" and resid 114 and name HG2%) (( segid " A" and resid 113 and name HN )) 6.000 4.500 0.000 peak 684 spectrum 1 weight 0.10000E+01 volume 0.95567E-03 ppm1 0.940 ppm2 7.442 CV 1 OR { 684} ( segid " A" and resid 114 and name HG2%) (( segid " A" and resid 167 and name HN )) ASSI { 685} ( segid " A" and resid 109 and name HB% ) (( segid " A" and resid 109 and name HN )) 6.000 4.500 0.000 peak 685 spectrum 1 weight 0.10000E+01 volume 0.96492E-02 ppm1 1.460 ppm2 7.427 CV 1 ASSI { 686} ( segid " A" and resid 169 and name HB% ) (( segid " A" and resid 167 and name HN )) 6.000 4.500 0.000 peak 686 spectrum 1 weight 0.10000E+01 volume 0.11425E-02 ppm1 1.361 ppm2 7.434 CV 1 ASSI { 687} ( segid " A" and resid 119 and name HG2%) (( segid " A" and resid 128 and name HN )) 6.000 4.500 0.000 peak 687 spectrum 1 weight 0.10000E+01 volume 0.73271E-03 ppm1 0.704 ppm2 7.426 CV 1 ASSI { 688} ( segid " A" and resid 128 and name HG2%) (( segid " A" and resid 128 and name HN )) 6.000 4.500 0.000 peak 688 spectrum 1 weight 0.10000E+01 volume 0.19835E-02 ppm1 0.552 ppm2 7.441 CV 1 ASSI { 689} ( segid " A" and resid 128 and name HD1%) (( segid " A" and resid 128 and name HN )) 6.000 4.500 0.000 peak 689 spectrum 1 weight 0.10000E+01 volume 0.13054E-02 ppm1 0.500 ppm2 7.443 CV 1 ASSI { 690} (( segid " A" and resid 176 and name HA )) (( segid " A" and resid 176 and name HN )) 6.000 4.500 0.000 peak 690 spectrum 1 weight 0.10000E+01 volume 0.15191E-02 ppm1 4.064 ppm2 7.398 CV 1 ASSI { 691} (( segid " A" and resid 264 and name HA )) (( segid " A" and resid 264 and name HN )) 6.000 4.500 0.000 peak 691 spectrum 1 weight 0.10000E+01 volume 0.28420E-02 ppm1 3.953 ppm2 7.405 CV 1 ASSI { 692} (( segid " A" and resid 109 and name HA )) (( segid " A" and resid 109 and name HN )) 6.000 4.500 0.000 peak 692 spectrum 1 weight 0.10000E+01 volume 0.21963E-02 ppm1 4.128 ppm2 7.422 CV 1 ASSI { 693} (( segid " A" and resid 264 and name HG1 )) (( segid " A" and resid 264 and name HN )) 6.000 4.500 0.000 peak 693 spectrum 1 weight 0.10000E+01 volume 0.46451E-02 ppm1 2.387 ppm2 7.405 CV 1 OR { 693} (( segid " A" and resid 264 and name HG2 )) (( segid " A" and resid 264 and name HN )) ASSI { 694} (( segid " A" and resid 113 and name HB1 )) (( segid " A" and resid 113 and name HN )) 6.000 4.500 0.000 peak 694 spectrum 1 weight 0.10000E+01 volume 0.21232E-02 ppm1 1.810 ppm2 7.420 CV 1 ASSI { 695} (( segid " A" and resid 218 and name HG1 )) (( segid " A" and resid 218 and name HE21)) 6.000 4.500 0.000 peak 695 spectrum 1 weight 0.10000E+01 volume 0.10547E-02 ppm1 2.231 ppm2 7.408 CV 1 ASSI { 696} (( segid " A" and resid 167 and name HG2 )) (( segid " A" and resid 167 and name HN )) 6.000 4.500 0.000 peak 696 spectrum 1 weight 0.10000E+01 volume 0.10177E-02 ppm1 2.345 ppm2 7.419 CV 1 ASSI { 697} (( segid " A" and resid 130 and name HB2 )) (( segid " A" and resid 128 and name HN )) 6.000 4.500 0.000 peak 697 spectrum 1 weight 0.10000E+01 volume 0.14358E-02 ppm1 2.199 ppm2 7.422 CV 1 OR { 697} (( segid " A" and resid 130 and name HB1 )) (( segid " A" and resid 128 and name HN )) ASSI { 698} (( segid " A" and resid 113 and name HG1 )) (( segid " A" and resid 113 and name HN )) 6.000 4.500 0.000 peak 698 spectrum 1 weight 0.10000E+01 volume 0.74844E-03 ppm1 1.413 ppm2 7.417 CV 1 ASSI { 699} (( segid " A" and resid 264 and name HB2 )) (( segid " A" and resid 264 and name HN )) 6.000 4.500 0.000 peak 699 spectrum 1 weight 0.10000E+01 volume 0.39466E-02 ppm1 2.106 ppm2 7.412 CV 1 OR { 699} (( segid " A" and resid 264 and name HB1 )) (( segid " A" and resid 264 and name HN )) ASSI { 700} ( segid " A" and resid 178 and name HD1%) (( segid " A" and resid 181 and name HN )) 6.000 4.500 0.000 peak 700 spectrum 1 weight 0.10000E+01 volume 0.10010E-02 ppm1 0.843 ppm2 7.414 CV 1 OR { 700} ( segid " A" and resid 170 and name HD1%) (( segid " A" and resid 167 and name HN )) OR { 700} ( segid " A" and resid 178 and name HD1%) (( segid " A" and resid 176 and name HN )) OR { 700} ( segid " A" and resid 170 and name HD1%) (( segid " A" and resid 176 and name HN )) ASSI { 701} ( segid " A" and resid 286 and name HG1%) (( segid " A" and resid 167 and name HN )) 6.000 4.500 0.000 peak 701 spectrum 1 weight 0.10000E+01 volume 0.78082E-03 ppm1 0.796 ppm2 7.418 CV 1 ASSI { 703} ( segid " A" and resid 177 and name HE% ) (( segid " A" and resid 181 and name HN )) 6.000 4.500 0.000 peak 703 spectrum 1 weight 0.10000E+01 volume 0.12314E-02 ppm1 1.942 ppm2 7.422 CV 1 ASSI { 704} ( segid " A" and resid 110 and name HD1%) (( segid " A" and resid 109 and name HN )) 6.000 4.500 0.000 peak 704 spectrum 1 weight 0.10000E+01 volume 0.88813E-03 ppm1 0.748 ppm2 7.416 CV 1 OR { 704} ( segid " A" and resid 110 and name HD1%) (( segid " A" and resid 113 and name HN )) OR { 704} ( segid " A" and resid 198 and name HD1%) (( segid " A" and resid 167 and name HN )) ASSI { 705} (( segid " A" and resid 269 and name HB1 )) (( segid " A" and resid 269 and name HN )) 6.000 4.500 0.000 peak 705 spectrum 1 weight 0.10000E+01 volume 0.12240E-02 ppm1 3.720 ppm2 7.389 CV 1 ASSI { 706} (( segid " A" and resid 269 and name HB2 )) (( segid " A" and resid 269 and name HN )) 6.000 4.500 0.000 peak 706 spectrum 1 weight 0.10000E+01 volume 0.99545E-03 ppm1 3.546 ppm2 7.376 CV 1 ASSI { 707} (( segid " A" and resid 268 and name HB1 )) (( segid " A" and resid 269 and name HN )) 6.000 4.500 0.000 peak 707 spectrum 1 weight 0.10000E+01 volume 0.10241E-02 ppm1 3.970 ppm2 7.384 CV 1 ASSI { 708} (( segid " A" and resid 268 and name HB2 )) (( segid " A" and resid 269 and name HN )) 6.000 4.500 0.000 peak 708 spectrum 1 weight 0.10000E+01 volume 0.75676E-03 ppm1 3.949 ppm2 7.391 CV 1 ASSI { 709} (( segid " A" and resid 177 and name HB1 )) (( segid " A" and resid 181 and name HN )) 6.000 4.500 0.000 peak 709 spectrum 1 weight 0.10000E+01 volume 0.10806E-02 ppm1 1.923 ppm2 7.396 CV 1 ASSI { 711} (( segid " A" and resid 176 and name HB )) (( segid " A" and resid 176 and name HN )) 6.000 4.500 0.000 peak 711 spectrum 1 weight 0.10000E+01 volume 0.30280E-02 ppm1 2.090 ppm2 7.383 CV 1 ASSI { 712} (( segid " A" and resid 281 and name HG1 )) ( segid " A" and resid 135 and name HE% ) 6.000 4.500 0.000 peak 712 spectrum 1 weight 0.10000E+01 volume 0.16921E-02 ppm1 1.549 ppm2 7.380 CV 1 ASSI { 713} ( segid " A" and resid 176 and name HG1%) (( segid " A" and resid 176 and name HN )) 6.000 4.500 0.000 peak 713 spectrum 1 weight 0.10000E+01 volume 0.40623E-02 ppm1 1.038 ppm2 7.392 CV 1 ASSI { 714} ( segid " A" and resid 176 and name HG2%) (( segid " A" and resid 176 and name HN )) 6.000 4.500 0.000 peak 714 spectrum 1 weight 0.10000E+01 volume 0.30243E-02 ppm1 0.908 ppm2 7.396 CV 1 ASSI { 715} (( segid " A" and resid 254 and name HA )) ( segid " A" and resid 254 and name HE% ) 6.000 4.500 0.000 peak 715 spectrum 1 weight 0.10000E+01 volume 0.73086E-03 ppm1 5.756 ppm2 7.345 CV 1 ASSI { 716} (( segid " A" and resid 254 and name HB2 )) ( segid " A" and resid 254 and name HE% ) 6.000 4.500 0.000 peak 716 spectrum 1 weight 0.10000E+01 volume 0.13711E-02 ppm1 2.766 ppm2 7.354 CV 1 ASSI { 717} (( segid " A" and resid 225 and name HB )) (( segid " A" and resid 225 and name HN )) 6.000 4.500 0.000 peak 717 spectrum 1 weight 0.10000E+01 volume 0.15561E-02 ppm1 1.850 ppm2 7.356 CV 1 ASSI { 718} ( segid " A" and resid 225 and name HG2%) (( segid " A" and resid 225 and name HN )) 6.000 4.500 0.000 peak 718 spectrum 1 weight 0.10000E+01 volume 0.13396E-02 ppm1 0.632 ppm2 7.340 CV 1 ASSI { 719} (( segid " A" and resid 206 and name HA )) (( segid " A" and resid 207 and name HN )) 6.000 4.500 0.000 peak 719 spectrum 1 weight 0.10000E+01 volume 0.73549E-03 ppm1 4.209 ppm2 7.332 CV 1 ASSI { 720} (( segid " A" and resid 204 and name HA )) (( segid " A" and resid 207 and name HN )) 6.000 4.500 0.000 peak 720 spectrum 1 weight 0.10000E+01 volume 0.74659E-03 ppm1 4.072 ppm2 7.319 CV 1 ASSI { 721} (( segid " A" and resid 205 and name HA )) (( segid " A" and resid 207 and name HN )) 6.000 4.500 0.000 peak 721 spectrum 1 weight 0.10000E+01 volume 0.18447E-02 ppm1 3.886 ppm2 7.327 CV 1 ASSI { 722} (( segid " A" and resid 207 and name HA )) (( segid " A" and resid 207 and name HN )) 6.000 4.500 0.000 peak 722 spectrum 1 weight 0.10000E+01 volume 0.39365E-02 ppm1 4.137 ppm2 7.316 CV 1 ASSI { 723} (( segid " A" and resid 206 and name HB2 )) (( segid " A" and resid 207 and name HN )) 6.000 4.500 0.000 peak 723 spectrum 1 weight 0.10000E+01 volume 0.16865E-02 ppm1 2.008 ppm2 7.315 CV 1 OR { 723} (( segid " A" and resid 206 and name HB1 )) (( segid " A" and resid 207 and name HN )) ASSI { 724} ( segid " A" and resid 207 and name HB% ) (( segid " A" and resid 207 and name HN )) 6.000 4.500 0.000 peak 724 spectrum 1 weight 0.10000E+01 volume 0.13859E-01 ppm1 1.167 ppm2 7.313 CV 1 ASSI { 725} ( segid " A" and resid 225 and name HD1%) (( segid " A" and resid 225 and name HN )) 6.000 4.500 0.000 peak 725 spectrum 1 weight 0.10000E+01 volume 0.76787E-03 ppm1 0.651 ppm2 7.334 CV 1 ASSI { 726} (( segid " A" and resid 228 and name HA )) (( segid " A" and resid 228 and name HN )) 6.000 4.500 0.000 peak 726 spectrum 1 weight 0.10000E+01 volume 0.92699E-03 ppm1 3.593 ppm2 7.284 CV 1 ASSI { 727} (( segid " A" and resid 228 and name HB )) (( segid " A" and resid 228 and name HN )) 6.000 4.500 0.000 peak 727 spectrum 1 weight 0.10000E+01 volume 0.21889E-02 ppm1 2.097 ppm2 7.292 CV 1 ASSI { 729} ( segid " A" and resid 228 and name HG1%) (( segid " A" and resid 228 and name HN )) 6.000 4.500 0.000 peak 729 spectrum 1 weight 0.10000E+01 volume 0.53214E-02 ppm1 1.001 ppm2 7.286 CV 1 ASSI { 731} ( segid " A" and resid 228 and name HG2%) (( segid " A" and resid 228 and name HN )) 6.000 4.500 0.000 peak 731 spectrum 1 weight 0.10000E+01 volume 0.17337E-02 ppm1 0.491 ppm2 7.284 CV 1 ASSI { 732} ( segid " A" and resid 169 and name HB% ) ( segid " A" and resid 135 and name HD% ) 6.000 4.500 0.000 peak 732 spectrum 1 weight 0.10000E+01 volume 0.10204E-02 ppm1 1.359 ppm2 7.286 CV 1 ASSI { 733} (( segid " A" and resid 227 and name HB2 )) (( segid " A" and resid 228 and name HN )) 6.000 4.500 0.000 peak 733 spectrum 1 weight 0.10000E+01 volume 0.13618E-02 ppm1 4.037 ppm2 7.275 CV 1 ASSI { 734} (( segid " A" and resid 112 and name HA )) (( segid " A" and resid 112 and name HN )) 6.000 4.500 0.000 peak 734 spectrum 1 weight 0.10000E+01 volume 0.17448E-02 ppm1 4.183 ppm2 7.257 CV 1 ASSI { 735} (( segid " A" and resid 224 and name HB1 )) (( segid " A" and resid 228 and name HN )) 6.000 4.500 0.000 peak 735 spectrum 1 weight 0.10000E+01 volume 0.16421E-02 ppm1 3.009 ppm2 7.274 CV 1 OR { 735} (( segid " A" and resid 273 and name HB2 )) (( segid " A" and resid 228 and name HN )) OR { 735} (( segid " A" and resid 252 and name HB2 )) ( segid " A" and resid 254 and name HD% ) ASSI { 736} (( segid " A" and resid 113 and name HG2 )) (( segid " A" and resid 112 and name HN )) 6.000 4.500 0.000 peak 736 spectrum 1 weight 0.10000E+01 volume 0.12906E-02 ppm1 1.744 ppm2 7.263 CV 1 OR { 736} (( segid " A" and resid 110 and name HG11)) (( segid " A" and resid 112 and name HN )) OR { 736} (( segid " A" and resid 210 and name HG2 )) ( segid " A" and resid 254 and name HD% ) ASSI { 737} ( segid " A" and resid 287 and name HG2%) (( segid " A" and resid 287 and name HN )) 6.000 4.500 0.000 peak 737 spectrum 1 weight 0.10000E+01 volume 0.26006E-02 ppm1 1.084 ppm2 7.258 CV 1 ASSI { 738} ( segid " A" and resid 166 and name HB% ) (( segid " A" and resid 112 and name HN )) 6.000 4.500 0.000 peak 738 spectrum 1 weight 0.10000E+01 volume 0.10130E-02 ppm1 1.465 ppm2 7.260 CV 1 ASSI { 740} (( segid " A" and resid 109 and name HA )) (( segid " A" and resid 112 and name HN )) 6.000 4.500 0.000 peak 740 spectrum 1 weight 0.10000E+01 volume 0.10038E-02 ppm1 4.126 ppm2 7.245 CV 1 ASSI { 741} (( segid " A" and resid 173 and name HA )) (( segid " A" and resid 174 and name HN )) 6.000 4.500 0.000 peak 741 spectrum 1 weight 0.10000E+01 volume 0.74751E-03 ppm1 5.056 ppm2 7.228 CV 1 ASSI { 742} (( segid " A" and resid 113 and name HB1 )) ( segid " A" and resid 157 and name HD% ) 6.000 4.500 0.000 peak 742 spectrum 1 weight 0.10000E+01 volume 0.93532E-03 ppm1 1.815 ppm2 7.236 CV 1 OR { 742} (( segid " A" and resid 113 and name HB1 )) (( segid " A" and resid 112 and name HN )) ASSI { 743} (( segid " A" and resid 113 and name HB2 )) (( segid " A" and resid 112 and name HN )) 6.000 4.500 0.000 peak 743 spectrum 1 weight 0.10000E+01 volume 0.79747E-03 ppm1 1.751 ppm2 7.228 CV 1 OR { 743} (( segid " A" and resid 113 and name HB2 )) ( segid " A" and resid 157 and name HD% ) ASSI { 745} (( segid " A" and resid 112 and name HB1 )) (( segid " A" and resid 112 and name HN )) 6.000 4.500 0.000 peak 745 spectrum 1 weight 0.10000E+01 volume 0.93532E-03 ppm1 3.582 ppm2 7.241 CV 1 ASSI { 746} (( segid " A" and resid 112 and name HB2 )) (( segid " A" and resid 112 and name HN )) 6.000 4.500 0.000 peak 746 spectrum 1 weight 0.10000E+01 volume 0.12665E-02 ppm1 3.074 ppm2 7.235 CV 1 ASSI { 749} ( segid " A" and resid 286 and name HG1%) (( segid " A" and resid 287 and name HN )) 6.000 4.500 0.000 peak 749 spectrum 1 weight 0.10000E+01 volume 0.10417E-02 ppm1 0.802 ppm2 7.243 CV 1 ASSI { 750} ( segid " A" and resid 286 and name HG2%) (( segid " A" and resid 287 and name HN )) 6.000 4.500 0.000 peak 750 spectrum 1 weight 0.10000E+01 volume 0.22999E-02 ppm1 0.565 ppm2 7.243 CV 1 ASSI { 752} (( segid " A" and resid 174 and name HB2 )) (( segid " A" and resid 174 and name HN )) 6.000 4.500 0.000 peak 752 spectrum 1 weight 0.10000E+01 volume 0.15487E-02 ppm1 2.990 ppm2 7.209 CV 1 ASSI { 753} (( segid " A" and resid 174 and name HB1 )) (( segid " A" and resid 174 and name HN )) 6.000 4.500 0.000 peak 753 spectrum 1 weight 0.10000E+01 volume 0.15135E-02 ppm1 2.893 ppm2 7.208 CV 1 ASSI { 754} (( segid " A" and resid 185 and name HB )) (( segid " A" and resid 174 and name HN )) 6.000 4.500 0.000 peak 754 spectrum 1 weight 0.10000E+01 volume 0.87056E-03 ppm1 1.903 ppm2 7.211 CV 1 ASSI { 755} (( segid " A" and resid 197 and name HA )) (( segid " A" and resid 197 and name HN )) 6.000 4.500 0.000 peak 755 spectrum 1 weight 0.10000E+01 volume 0.14543E-02 ppm1 3.903 ppm2 7.164 CV 1 ASSI { 756} (( segid " A" and resid 273 and name HA )) ( segid " A" and resid 273 and name HD% ) 6.000 4.500 0.000 peak 756 spectrum 1 weight 0.10000E+01 volume 0.10537E-02 ppm1 4.320 ppm2 7.177 CV 1 ASSI { 757} (( segid " A" and resid 273 and name HB2 )) ( segid " A" and resid 273 and name HD% ) 6.000 4.500 0.000 peak 757 spectrum 1 weight 0.10000E+01 volume 0.84003E-03 ppm1 2.974 ppm2 7.185 CV 1 ASSI { 758} (( segid " A" and resid 196 and name HB1 )) (( segid " A" and resid 197 and name HN )) 6.000 4.500 0.000 peak 758 spectrum 1 weight 0.10000E+01 volume 0.10981E-02 ppm1 1.772 ppm2 7.167 CV 1 ASSI { 759} ( segid " A" and resid 280 and name HD1%) ( segid " A" and resid 273 and name HD% ) 6.000 4.500 0.000 peak 759 spectrum 1 weight 0.10000E+01 volume 0.13877E-02 ppm1 1.065 ppm2 7.181 CV 1 ASSI { 760} ( segid " A" and resid 169 and name HB% ) (( segid " A" and resid 174 and name HN )) 6.000 4.500 0.000 peak 760 spectrum 1 weight 0.10000E+01 volume 0.80765E-03 ppm1 1.361 ppm2 7.181 CV 1 ASSI { 761} ( segid " A" and resid 197 and name HD1%) (( segid " A" and resid 197 and name HN )) 6.000 4.500 0.000 peak 761 spectrum 1 weight 0.10000E+01 volume 0.16162E-02 ppm1 0.806 ppm2 7.163 CV 1 ASSI { 762} (( segid " A" and resid 196 and name HD2 )) (( segid " A" and resid 197 and name HN )) 6.000 4.500 0.000 peak 762 spectrum 1 weight 0.10000E+01 volume 0.10112E-02 ppm1 3.706 ppm2 7.139 CV 1 ASSI { 763} (( segid " A" and resid 197 and name HB )) (( segid " A" and resid 197 and name HN )) 6.000 4.500 0.000 peak 763 spectrum 1 weight 0.10000E+01 volume 0.26792E-02 ppm1 2.008 ppm2 7.158 CV 1 ASSI { 764} (( segid " A" and resid 196 and name HG1 )) (( segid " A" and resid 197 and name HN )) 6.000 4.500 0.000 peak 764 spectrum 1 weight 0.10000E+01 volume 0.99175E-03 ppm1 2.089 ppm2 7.154 CV 1 ASSI { 765} (( segid " A" and resid 197 and name HG12)) (( segid " A" and resid 197 and name HN )) 6.000 4.500 0.000 peak 765 spectrum 1 weight 0.10000E+01 volume 0.20436E-02 ppm1 1.483 ppm2 7.160 CV 1 ASSI { 766} (( segid " A" and resid 197 and name HG11)) (( segid " A" and resid 197 and name HN )) 6.000 4.500 0.000 peak 766 spectrum 1 weight 0.10000E+01 volume 0.18420E-02 ppm1 1.332 ppm2 7.160 CV 1 ASSI { 768} ( segid " A" and resid 197 and name HG2%) (( segid " A" and resid 197 and name HN )) 6.000 4.500 0.000 peak 768 spectrum 1 weight 0.10000E+01 volume 0.19520E-02 ppm1 0.892 ppm2 7.150 CV 1 ASSI { 770} (( segid " A" and resid 231 and name HA )) (( segid " A" and resid 232 and name HN )) 6.000 4.500 0.000 peak 770 spectrum 1 weight 0.10000E+01 volume 0.78544E-03 ppm1 3.891 ppm2 7.111 CV 1 ASSI { 771} (( segid " A" and resid 278 and name HA )) (( segid " A" and resid 278 and name HN )) 6.000 4.500 0.000 peak 771 spectrum 1 weight 0.10000E+01 volume 0.15718E-02 ppm1 4.365 ppm2 7.123 CV 1 ASSI { 772} (( segid " A" and resid 277 and name HA1 )) (( segid " A" and resid 278 and name HN )) 6.000 4.500 0.000 peak 772 spectrum 1 weight 0.10000E+01 volume 0.17078E-02 ppm1 4.086 ppm2 7.122 CV 1 ASSI { 773} (( segid " A" and resid 277 and name HA2 )) (( segid " A" and resid 278 and name HN )) 6.000 4.500 0.000 peak 773 spectrum 1 weight 0.10000E+01 volume 0.11740E-02 ppm1 3.589 ppm2 7.127 CV 1 ASSI { 774} (( segid " A" and resid 278 and name HG2 )) (( segid " A" and resid 278 and name HN )) 6.000 4.500 0.000 peak 774 spectrum 1 weight 0.10000E+01 volume 0.10482E-02 ppm1 2.352 ppm2 7.122 CV 1 ASSI { 775} (( segid " A" and resid 278 and name HG1 )) (( segid " A" and resid 278 and name HN )) 6.000 4.500 0.000 peak 775 spectrum 1 weight 0.10000E+01 volume 0.11259E-02 ppm1 2.266 ppm2 7.124 CV 1 ASSI { 776} (( segid " A" and resid 278 and name HB2 )) (( segid " A" and resid 278 and name HN )) 6.000 4.500 0.000 peak 776 spectrum 1 weight 0.10000E+01 volume 0.11166E-02 ppm1 2.147 ppm2 7.121 CV 1 ASSI { 777} (( segid " A" and resid 278 and name HB1 )) (( segid " A" and resid 278 and name HN )) 6.000 4.500 0.000 peak 777 spectrum 1 weight 0.10000E+01 volume 0.18521E-02 ppm1 1.964 ppm2 7.122 CV 1 ASSI { 778} (( segid " A" and resid 230 and name HA )) (( segid " A" and resid 232 and name HN )) 6.000 4.500 0.000 peak 778 spectrum 1 weight 0.10000E+01 volume 0.76416E-03 ppm1 5.071 ppm2 7.103 CV 1 ASSI { 779} ( segid " A" and resid 240 and name HD1%) (( segid " A" and resid 249 and name HD2 )) 6.000 4.500 0.000 peak 779 spectrum 1 weight 0.10000E+01 volume 0.90756E-03 ppm1 -0.067 ppm2 7.089 CV 1 ASSI { 780} ( segid " A" and resid 266 and name HB% ) ( segid " A" and resid 232 and name HE% ) 6.000 4.500 0.000 peak 780 spectrum 1 weight 0.10000E+01 volume 0.14136E-02 ppm1 1.266 ppm2 7.088 CV 1 ASSI { 781} ( segid " A" and resid 231 and name HB% ) (( segid " A" and resid 232 and name HN )) 6.000 4.500 0.000 peak 781 spectrum 1 weight 0.10000E+01 volume 0.16310E-02 ppm1 0.941 ppm2 7.100 CV 1 ASSI { 783} ( segid " A" and resid 280 and name HD1%) (( segid " A" and resid 217 and name HD2 )) 6.000 4.500 0.000 peak 783 spectrum 1 weight 0.10000E+01 volume 0.14025E-02 ppm1 1.066 ppm2 7.059 CV 1 ASSI { 784} ( segid " A" and resid 275 and name HD2%) (( segid " A" and resid 217 and name HD2 )) 6.000 4.500 0.000 peak 784 spectrum 1 weight 0.10000E+01 volume 0.10445E-02 ppm1 0.982 ppm2 7.048 CV 1 ASSI { 785} ( segid " A" and resid 228 and name HG2%) ( segid " A" and resid 232 and name HE% ) 6.000 4.500 0.000 peak 785 spectrum 1 weight 0.10000E+01 volume 0.10898E-02 ppm1 0.493 ppm2 7.053 CV 1 ASSI { 786} ( segid " A" and resid 270 and name HE% ) ( segid " A" and resid 232 and name HE% ) 6.000 4.500 0.000 peak 786 spectrum 1 weight 0.10000E+01 volume 0.24035E-02 ppm1 0.202 ppm2 7.071 CV 1 ASSI { 789} (( segid " A" and resid 278 and name HG2 )) (( segid " A" and resid 278 and name HE21)) 6.000 4.500 0.000 peak 789 spectrum 1 weight 0.10000E+01 volume 0.96955E-03 ppm1 2.353 ppm2 6.931 CV 1 ASSI { 790} (( segid " A" and resid 278 and name HB2 )) (( segid " A" and resid 278 and name HE21)) 6.000 4.500 0.000 peak 790 spectrum 1 weight 0.10000E+01 volume 0.12665E-02 ppm1 2.154 ppm2 6.935 CV 1 ASSI { 791} (( segid " A" and resid 278 and name HB1 )) (( segid " A" and resid 278 and name HE21)) 6.000 4.500 0.000 peak 791 spectrum 1 weight 0.10000E+01 volume 0.13072E-02 ppm1 1.971 ppm2 6.937 CV 1 ASSI { 792} (( segid " A" and resid 225 and name HG12)) ( segid " A" and resid 273 and name HE% ) 6.000 4.500 0.000 peak 792 spectrum 1 weight 0.10000E+01 volume 0.76139E-03 ppm1 1.562 ppm2 6.949 CV 1 ASSI { 795} (( segid " A" and resid 278 and name HG1 )) (( segid " A" and resid 278 and name HE21)) 6.000 4.500 0.000 peak 795 spectrum 1 weight 0.10000E+01 volume 0.86038E-03 ppm1 2.261 ppm2 6.919 CV 1 ASSI { 797} ( segid " A" and resid 158 and name HG1%) ( segid " A" and resid 132 and name HE% ) 6.000 4.500 0.000 peak 797 spectrum 1 weight 0.10000E+01 volume 0.12924E-02 ppm1 0.146 ppm2 6.900 CV 1 ASSI { 798} ( segid " A" and resid 114 and name HG1%) ( segid " A" and resid 132 and name HE% ) 6.000 4.500 0.000 peak 798 spectrum 1 weight 0.10000E+01 volume 0.24516E-02 ppm1 0.903 ppm2 6.909 CV 1 ASSI { 799} ( segid " A" and resid 128 and name HD1%) ( segid " A" and resid 132 and name HE% ) 6.000 4.500 0.000 peak 799 spectrum 1 weight 0.10000E+01 volume 0.85205E-03 ppm1 0.496 ppm2 6.907 CV 1 ASSI { 800} (( segid " A" and resid 263 and name HB1 )) (( segid " A" and resid 263 and name HN )) 6.000 4.500 0.000 peak 800 spectrum 1 weight 0.10000E+01 volume 0.15681E-02 ppm1 3.835 ppm2 6.891 CV 1 ASSI { 801} (( segid " A" and resid 263 and name HB2 )) (( segid " A" and resid 263 and name HN )) 6.000 4.500 0.000 peak 801 spectrum 1 weight 0.10000E+01 volume 0.11370E-02 ppm1 3.783 ppm2 6.888 CV 1 ASSI { 802} (( segid " A" and resid 262 and name HA )) (( segid " A" and resid 262 and name HN )) 6.000 4.500 0.000 peak 802 spectrum 1 weight 0.10000E+01 volume 0.10214E-02 ppm1 4.023 ppm2 6.871 CV 1 ASSI { 803} (( segid " A" and resid 263 and name HA )) (( segid " A" and resid 263 and name HN )) 6.000 4.500 0.000 peak 803 spectrum 1 weight 0.10000E+01 volume 0.17050E-02 ppm1 3.691 ppm2 6.880 CV 1 ASSI { 804} (( segid " A" and resid 160 and name HA )) (( segid " A" and resid 162 and name HN )) 6.000 4.500 0.000 peak 804 spectrum 1 weight 0.10000E+01 volume 0.13748E-02 ppm1 5.140 ppm2 6.869 CV 1 ASSI { 805} (( segid " A" and resid 260 and name HA )) (( segid " A" and resid 263 and name HN )) 6.000 4.500 0.000 peak 805 spectrum 1 weight 0.10000E+01 volume 0.95844E-03 ppm1 3.934 ppm2 6.880 CV 1 ASSI { 806} (( segid " A" and resid 161 and name HG2 )) (( segid " A" and resid 162 and name HN )) 6.000 4.500 0.000 peak 806 spectrum 1 weight 0.10000E+01 volume 0.86778E-03 ppm1 2.277 ppm2 6.870 CV 1 OR { 806} (( segid " A" and resid 161 and name HG1 )) (( segid " A" and resid 162 and name HN )) ASSI { 807} (( segid " A" and resid 172 and name HG2 )) (( segid " A" and resid 172 and name HE22)) 6.000 4.500 0.000 peak 807 spectrum 1 weight 0.10000E+01 volume 0.99637E-03 ppm1 2.788 ppm2 6.877 CV 1 ASSI { 808} (( segid " A" and resid 172 and name HG1 )) (( segid " A" and resid 172 and name HE22)) 6.000 4.500 0.000 peak 808 spectrum 1 weight 0.10000E+01 volume 0.77804E-03 ppm1 2.430 ppm2 6.881 CV 1 ASSI { 809} (( segid " A" and resid 161 and name HB1 )) (( segid " A" and resid 162 and name HN )) 6.000 4.500 0.000 peak 809 spectrum 1 weight 0.10000E+01 volume 0.14395E-02 ppm1 1.993 ppm2 6.886 CV 1 ASSI { 810} (( segid " A" and resid 122 and name HB2 )) ( segid " A" and resid 120 and name HE% ) 6.000 4.500 0.000 peak 810 spectrum 1 weight 0.10000E+01 volume 0.12036E-02 ppm1 2.181 ppm2 6.883 CV 1 ASSI { 811} ( segid " A" and resid 178 and name HD1%) ( segid " A" and resid 132 and name HE% ) 6.000 4.500 0.000 peak 811 spectrum 1 weight 0.10000E+01 volume 0.18308E-02 ppm1 0.828 ppm2 6.885 CV 1 ASSI { 812} ( segid " A" and resid 168 and name HD1%) (( segid " A" and resid 172 and name HE22)) 6.000 4.500 0.000 peak 812 spectrum 1 weight 0.10000E+01 volume 0.24146E-02 ppm1 0.917 ppm2 6.874 CV 1 ASSI { 813} ( segid " A" and resid 282 and name HG1%) (( segid " A" and resid 229 and name HZ )) 6.000 4.500 0.000 peak 813 spectrum 1 weight 0.10000E+01 volume 0.58497E-02 ppm1 1.000 ppm2 6.874 CV 1 OR { 813} ( segid " A" and resid 185 and name HG1%) ( segid " A" and resid 132 and name HE% ) ASSI { 814} ( segid " A" and resid 228 and name HG2%) (( segid " A" and resid 229 and name HZ )) 6.000 4.500 0.000 peak 814 spectrum 1 weight 0.10000E+01 volume 0.10556E-02 ppm1 0.492 ppm2 6.881 CV 1 ASSI { 815} ( segid " A" and resid 213 and name HG2%) (( segid " A" and resid 229 and name HZ )) 6.000 4.500 0.000 peak 815 spectrum 1 weight 0.10000E+01 volume 0.17707E-02 ppm1 0.421 ppm2 6.870 CV 1 ASSI { 816} ( segid " A" and resid 131 and name HB% ) ( segid " A" and resid 132 and name HE% ) 6.000 4.500 0.000 peak 816 spectrum 1 weight 0.10000E+01 volume 0.27347E-02 ppm1 1.473 ppm2 6.881 CV 1 ASSI { 817} ( segid " A" and resid 128 and name HG2%) ( segid " A" and resid 132 and name HE% ) 6.000 4.500 0.000 peak 817 spectrum 1 weight 0.10000E+01 volume 0.13822E-02 ppm1 0.548 ppm2 6.892 CV 1 ASSI { 818} ( segid " A" and resid 143 and name HE% ) (( segid " A" and resid 152 and name HD2 )) 6.000 4.500 0.000 peak 818 spectrum 1 weight 0.10000E+01 volume 0.10167E-02 ppm1 1.288 ppm2 6.879 CV 1 ASSI { 819} ( segid " A" and resid 183 and name HD1%) ( segid " A" and resid 132 and name HE% ) 6.000 4.500 0.000 peak 819 spectrum 1 weight 0.10000E+01 volume 0.25562E-02 ppm1 0.882 ppm2 6.893 CV 1 ASSI { 820} (( segid " A" and resid 161 and name HA )) (( segid " A" and resid 162 and name HN )) 6.000 4.500 0.000 peak 820 spectrum 1 weight 0.10000E+01 volume 0.94272E-03 ppm1 4.232 ppm2 6.857 CV 1 ASSI { 821} (( segid " A" and resid 259 and name HE1 )) (( segid " A" and resid 262 and name HN )) 6.000 4.500 0.000 peak 821 spectrum 1 weight 0.10000E+01 volume 0.80580E-03 ppm1 3.066 ppm2 6.856 CV 1 OR { 821} (( segid " A" and resid 259 and name HE2 )) (( segid " A" and resid 262 and name HN )) ASSI { 822} (( segid " A" and resid 162 and name HB )) (( segid " A" and resid 162 and name HN )) 6.000 4.500 0.000 peak 822 spectrum 1 weight 0.10000E+01 volume 0.10454E-02 ppm1 2.220 ppm2 6.861 CV 1 ASSI { 823} (( segid " A" and resid 225 and name HG11)) (( segid " A" and resid 229 and name HZ )) 6.000 4.500 0.000 peak 823 spectrum 1 weight 0.10000E+01 volume 0.30243E-02 ppm1 1.068 ppm2 6.865 CV 1 OR { 823} ( segid " A" and resid 280 and name HD1%) (( segid " A" and resid 229 and name HZ )) ASSI { 824} ( segid " A" and resid 168 and name HD2%) (( segid " A" and resid 172 and name HE22)) 6.000 4.500 0.000 peak 824 spectrum 1 weight 0.10000E+01 volume 0.16162E-02 ppm1 1.032 ppm2 6.869 CV 1 ASSI { 825} ( segid " A" and resid 162 and name HG1%) (( segid " A" and resid 162 and name HN )) 6.000 4.500 0.000 peak 825 spectrum 1 weight 0.10000E+01 volume 0.38412E-02 ppm1 1.080 ppm2 6.858 CV 1 ASSI { 826} ( segid " A" and resid 213 and name HG1%) (( segid " A" and resid 229 and name HZ )) 6.000 4.500 0.000 peak 826 spectrum 1 weight 0.10000E+01 volume 0.21093E-02 ppm1 0.358 ppm2 6.863 CV 1 ASSI { 827} ( segid " A" and resid 162 and name HG2%) (( segid " A" and resid 162 and name HN )) 6.000 4.500 0.000 peak 827 spectrum 1 weight 0.10000E+01 volume 0.63770E-02 ppm1 0.795 ppm2 6.860 CV 1 ASSI { 829} ( segid " A" and resid 270 and name HE% ) (( segid " A" and resid 229 and name HZ )) 6.000 4.500 0.000 peak 829 spectrum 1 weight 0.10000E+01 volume 0.20862E-02 ppm1 0.201 ppm2 6.860 CV 1 ASSI { 830} (( segid " A" and resid 259 and name HB2 )) (( segid " A" and resid 262 and name HN )) 6.000 4.500 0.000 peak 830 spectrum 1 weight 0.10000E+01 volume 0.76324E-03 ppm1 1.905 ppm2 6.834 CV 1 ASSI { 831} (( segid " A" and resid 137 and name HB2 )) ( segid " A" and resid 252 and name HE% ) 6.000 4.500 0.000 peak 831 spectrum 1 weight 0.10000E+01 volume 0.97325E-03 ppm1 2.074 ppm2 6.819 CV 1 OR { 831} (( segid " A" and resid 137 and name HB2 )) ( segid " A" and resid 160 and name HD% ) OR { 831} (( segid " A" and resid 159 and name HB2 )) ( segid " A" and resid 160 and name HD% ) ASSI { 832} (( segid " A" and resid 137 and name HG1 )) ( segid " A" and resid 252 and name HE% ) 6.000 4.500 0.000 peak 832 spectrum 1 weight 0.10000E+01 volume 0.14488E-02 ppm1 2.299 ppm2 6.828 CV 1 ASSI { 833} (( segid " A" and resid 252 and name HB2 )) ( segid " A" and resid 252 and name HE% ) 6.000 4.500 0.000 peak 833 spectrum 1 weight 0.10000E+01 volume 0.14229E-02 ppm1 3.029 ppm2 6.805 CV 1 OR { 833} (( segid " A" and resid 250 and name HE1 )) ( segid " A" and resid 252 and name HE% ) ASSI { 835} (( segid " A" and resid 250 and name HD2 )) ( segid " A" and resid 252 and name HE% ) 6.000 4.500 0.000 peak 835 spectrum 1 weight 0.10000E+01 volume 0.10417E-02 ppm1 1.832 ppm2 6.806 CV 1 ASSI { 837} (( segid " A" and resid 278 and name HG1 )) (( segid " A" and resid 278 and name HE22)) 6.000 4.500 0.000 peak 837 spectrum 1 weight 0.10000E+01 volume 0.77342E-03 ppm1 2.259 ppm2 6.765 CV 1 ASSI { 838} (( segid " A" and resid 278 and name HB1 )) (( segid " A" and resid 278 and name HE22)) 6.000 4.500 0.000 peak 838 spectrum 1 weight 0.10000E+01 volume 0.86315E-03 ppm1 1.949 ppm2 6.753 CV 1 OR { 838} (( segid " A" and resid 270 and name HB1 )) ( segid " A" and resid 229 and name HE% ) ASSI { 839} ( segid " A" and resid 213 and name HG2%) ( segid " A" and resid 229 and name HE% ) 6.000 4.500 0.000 peak 839 spectrum 1 weight 0.10000E+01 volume 0.17809E-02 ppm1 0.421 ppm2 6.762 CV 1 ASSI { 840} ( segid " A" and resid 213 and name HG1%) ( segid " A" and resid 229 and name HE% ) 6.000 4.500 0.000 peak 840 spectrum 1 weight 0.10000E+01 volume 0.20705E-02 ppm1 0.357 ppm2 6.769 CV 1 ASSI { 841} ( segid " A" and resid 225 and name HG2%) ( segid " A" and resid 229 and name HE% ) 6.000 4.500 0.000 peak 841 spectrum 1 weight 0.10000E+01 volume 0.13313E-02 ppm1 0.632 ppm2 6.771 CV 1 ASSI { 842} (( segid " A" and resid 217 and name HA )) (( segid " A" and resid 278 and name HE22)) 6.000 4.500 0.000 peak 842 spectrum 1 weight 0.10000E+01 volume 0.90201E-03 ppm1 3.899 ppm2 6.741 CV 1 ASSI { 843} (( segid " A" and resid 171 and name HG2 )) (( segid " A" and resid 167 and name HE21)) 6.000 4.500 0.000 peak 843 spectrum 1 weight 0.10000E+01 volume 0.11370E-02 ppm1 2.666 ppm2 6.725 CV 1 ASSI { 844} (( segid " A" and resid 171 and name HG1 )) (( segid " A" and resid 167 and name HE21)) 6.000 4.500 0.000 peak 844 spectrum 1 weight 0.10000E+01 volume 0.75491E-03 ppm1 2.266 ppm2 6.727 CV 1 ASSI { 845} (( segid " A" and resid 167 and name HG1 )) (( segid " A" and resid 167 and name HE21)) 6.000 4.500 0.000 peak 845 spectrum 1 weight 0.10000E+01 volume 0.93346E-03 ppm1 2.181 ppm2 6.728 CV 1 ASSI { 846} ( segid " A" and resid 280 and name HD2%) (( segid " A" and resid 278 and name HE22)) 6.000 4.500 0.000 peak 846 spectrum 1 weight 0.10000E+01 volume 0.89923E-03 ppm1 0.880 ppm2 6.746 CV 1 ASSI { 848} ( segid " A" and resid 255 and name HD1%) ( segid " A" and resid 257 and name HE% ) 6.000 4.500 0.000 peak 848 spectrum 1 weight 0.10000E+01 volume 0.87426E-03 ppm1 -0.120 ppm2 6.694 CV 1 ASSI { 849} ( segid " A" and resid 266 and name HB% ) ( segid " A" and resid 257 and name HE% ) 6.000 4.500 0.000 peak 849 spectrum 1 weight 0.10000E+01 volume 0.25710E-02 ppm1 1.264 ppm2 6.681 CV 1 ASSI { 850} ( segid " A" and resid 255 and name HG2%) ( segid " A" and resid 257 and name HE% ) 6.000 4.500 0.000 peak 850 spectrum 1 weight 0.10000E+01 volume 0.10204E-02 ppm1 0.234 ppm2 6.669 CV 1 ASSI { 851} ( segid " A" and resid 235 and name HD1%) ( segid " A" and resid 257 and name HE% ) 6.000 4.500 0.000 peak 851 spectrum 1 weight 0.10000E+01 volume 0.87888E-03 ppm1 0.694 ppm2 6.671 CV 1 ASSI { 852} (( segid " A" and resid 260 and name HA )) (( segid " A" and resid 209 and name HD22)) 6.000 4.500 0.000 peak 852 spectrum 1 weight 0.10000E+01 volume 0.95197E-03 ppm1 3.939 ppm2 6.639 CV 1 OR { 852} (( segid " A" and resid 260 and name HA )) (( segid " A" and resid 209 and name HD21)) ASSI { 853} (( segid " A" and resid 209 and name HB2 )) (( segid " A" and resid 209 and name HD22)) 6.000 4.500 0.000 peak 853 spectrum 1 weight 0.10000E+01 volume 0.11722E-02 ppm1 3.590 ppm2 6.641 CV 1 ASSI { 854} (( segid " A" and resid 209 and name HB1 )) (( segid " A" and resid 209 and name HD22)) 6.000 4.500 0.000 peak 854 spectrum 1 weight 0.10000E+01 volume 0.14247E-02 ppm1 2.691 ppm2 6.650 CV 1 ASSI { 855} ( segid " A" and resid 260 and name HB% ) (( segid " A" and resid 209 and name HD21)) 6.000 4.500 0.000 peak 855 spectrum 1 weight 0.10000E+01 volume 0.14358E-02 ppm1 1.435 ppm2 6.647 CV 1 OR { 855} ( segid " A" and resid 260 and name HB% ) (( segid " A" and resid 209 and name HD22)) ASSI { 856} (( segid " A" and resid 195 and name HG2 )) (( segid " A" and resid 195 and name HE21)) 6.000 4.500 0.000 peak 856 spectrum 1 weight 0.10000E+01 volume 0.15542E-02 ppm1 2.397 ppm2 6.587 CV 1 OR { 856} (( segid " A" and resid 195 and name HG1 )) (( segid " A" and resid 195 and name HE21)) ASSI { 857} ( segid " A" and resid 198 and name HG2%) (( segid " A" and resid 195 and name HE21)) 6.000 4.500 0.000 peak 857 spectrum 1 weight 0.10000E+01 volume 0.20751E-02 ppm1 0.940 ppm2 6.580 CV 1 ASSI { 858} (( segid " A" and resid 135 and name HA )) (( segid " A" and resid 135 and name HN )) 6.000 4.500 0.000 peak 858 spectrum 1 weight 0.10000E+01 volume 0.86130E-03 ppm1 3.888 ppm2 6.558 CV 1 ASSI { 859} (( segid " A" and resid 165 and name HA )) ( segid " A" and resid 212 and name HE% ) 6.000 4.500 0.000 peak 859 spectrum 1 weight 0.10000E+01 volume 0.99822E-03 ppm1 3.647 ppm2 6.558 CV 1 ASSI { 860} (( segid " A" and resid 271 and name HB2 )) (( segid " A" and resid 271 and name HD22)) 6.000 4.500 0.000 peak 860 spectrum 1 weight 0.10000E+01 volume 0.82060E-03 ppm1 2.935 ppm2 6.565 CV 1 ASSI { 861} (( segid " A" and resid 271 and name HB1 )) (( segid " A" and resid 271 and name HD22)) 6.000 4.500 0.000 peak 861 spectrum 1 weight 0.10000E+01 volume 0.92699E-03 ppm1 2.841 ppm2 6.569 CV 1 ASSI { 862} (( segid " A" and resid 272 and name HG )) (( segid " A" and resid 271 and name HD22)) 6.000 4.500 0.000 peak 862 spectrum 1 weight 0.10000E+01 volume 0.10232E-02 ppm1 1.520 ppm2 6.557 CV 1 OR { 862} (( segid " A" and resid 281 and name HG1 )) ( segid " A" and resid 212 and name HE% ) OR { 862} (( segid " A" and resid 281 and name HG1 )) (( segid " A" and resid 271 and name HD22)) ASSI { 863} ( segid " A" and resid 168 and name HD2%) ( segid " A" and resid 212 and name HE% ) 6.000 4.500 0.000 peak 863 spectrum 1 weight 0.10000E+01 volume 0.24109E-02 ppm1 1.032 ppm2 6.560 CV 1 ASSI { 864} ( segid " A" and resid 272 and name HD1%) (( segid " A" and resid 271 and name HD22)) 6.000 4.500 0.000 peak 864 spectrum 1 weight 0.10000E+01 volume 0.16366E-02 ppm1 0.821 ppm2 6.562 CV 1 ASSI { 865} ( segid " A" and resid 168 and name HD1%) ( segid " A" and resid 212 and name HE% ) 6.000 4.500 0.000 peak 865 spectrum 1 weight 0.10000E+01 volume 0.15320E-02 ppm1 0.917 ppm2 6.568 CV 1 ASSI { 867} ( segid " A" and resid 272 and name HD2%) (( segid " A" and resid 271 and name HD22)) 6.000 4.500 0.000 peak 867 spectrum 1 weight 0.10000E+01 volume 0.14858E-02 ppm1 0.716 ppm2 6.560 CV 1 ASSI { 868} ( segid " A" and resid 162 and name HG2%) ( segid " A" and resid 212 and name HE% ) 6.000 4.500 0.000 peak 868 spectrum 1 weight 0.10000E+01 volume 0.16764E-02 ppm1 0.794 ppm2 6.552 CV 1 ASSI { 869} ( segid " A" and resid 165 and name HB% ) ( segid " A" and resid 212 and name HE% ) 6.000 4.500 0.000 peak 869 spectrum 1 weight 0.10000E+01 volume 0.10084E-02 ppm1 0.669 ppm2 6.554 CV 1 ASSI { 870} ( segid " A" and resid 169 and name HB% ) (( segid " A" and resid 135 and name HN )) 6.000 4.500 0.000 peak 870 spectrum 1 weight 0.10000E+01 volume 0.74751E-03 ppm1 1.362 ppm2 6.536 CV 1 ASSI { 871} (( segid " A" and resid 165 and name HA )) (( segid " A" and resid 165 and name HN )) 6.000 4.500 0.000 peak 871 spectrum 1 weight 0.10000E+01 volume 0.17837E-02 ppm1 3.648 ppm2 6.328 CV 1 ASSI { 873} ( segid " A" and resid 168 and name HD2%) (( segid " A" and resid 165 and name HN )) 6.000 4.500 0.000 peak 873 spectrum 1 weight 0.10000E+01 volume 0.18762E-02 ppm1 1.029 ppm2 6.341 CV 1 ASSI { 874} ( segid " A" and resid 162 and name HG1%) (( segid " A" and resid 165 and name HN )) 6.000 4.500 0.000 peak 874 spectrum 1 weight 0.10000E+01 volume 0.17235E-02 ppm1 1.080 ppm2 6.320 CV 1 ASSI { 875} ( segid " A" and resid 162 and name HG2%) (( segid " A" and resid 165 and name HN )) 6.000 4.500 0.000 peak 875 spectrum 1 weight 0.10000E+01 volume 0.52252E-02 ppm1 0.796 ppm2 6.326 CV 1 ASSI { 876} ( segid " A" and resid 165 and name HB% ) (( segid " A" and resid 165 and name HN )) 6.000 4.500 0.000 peak 876 spectrum 1 weight 0.10000E+01 volume 0.34841E-02 ppm1 0.668 ppm2 6.326 CV 1 ASSI { 877} ( segid " A" and resid 166 and name HB% ) (( segid " A" and resid 165 and name HN )) 6.000 4.500 0.000 peak 877 spectrum 1 weight 0.10000E+01 volume 0.98805E-03 ppm1 1.479 ppm2 6.338 CV 1 ASSI { 878} ( segid " A" and resid 169 and name HB% ) (( segid " A" and resid 165 and name HN )) 6.000 4.500 0.000 peak 878 spectrum 1 weight 0.10000E+01 volume 0.10140E-02 ppm1 1.360 ppm2 6.334 CV 1 ASSI { 879} ( segid " A" and resid 168 and name HD1%) (( segid " A" and resid 165 and name HN )) 6.000 4.500 0.000 peak 879 spectrum 1 weight 0.10000E+01 volume 0.81505E-03 ppm1 0.917 ppm2 6.302 CV 1 ASSI { 880} (( segid " A" and resid 155 and name HB1 )) ( segid " A" and resid 115 and name HE% ) 6.000 4.500 0.000 peak 880 spectrum 1 weight 0.10000E+01 volume 0.10621E-02 ppm1 3.006 ppm2 6.245 CV 1 ASSI { 881} (( segid " A" and resid 113 and name HA )) (( segid " A" and resid 113 and name HN )) 6.000 4.500 0.000 peak 881 spectrum 1 weight 0.10000E+01 volume 0.11074E-02 ppm1 5.386 ppm2 7.444 CV 1 ASSI { 882} (( segid " A" and resid 115 and name HB2 )) (( segid " A" and resid 115 and name HN )) 6.000 4.500 0.000 peak 882 spectrum 1 weight 0.10000E+01 volume 0.55693E-03 ppm1 2.402 ppm2 8.844 CV 1 ASSI { 883} (( segid " A" and resid 116 and name HB )) (( segid " A" and resid 116 and name HN )) 6.000 4.500 0.000 peak 883 spectrum 1 weight 0.10000E+01 volume 0.69848E-03 ppm1 1.578 ppm2 8.406 CV 1 ASSI { 884} ( segid " A" and resid 119 and name HD1%) (( segid " A" and resid 119 and name HN )) 6.000 4.500 0.000 peak 884 spectrum 1 weight 0.10000E+01 volume 0.70496E-03 ppm1 0.254 ppm2 8.139 CV 1 ASSI { 885} (( segid " A" and resid 131 and name HA )) (( segid " A" and resid 132 and name HN )) 6.000 4.500 0.000 peak 885 spectrum 1 weight 0.10000E+01 volume 0.67443E-03 ppm1 4.216 ppm2 8.124 CV 1 ASSI { 886} (( segid " A" and resid 132 and name HB2 )) (( segid " A" and resid 132 and name HN )) 6.000 4.500 0.000 peak 886 spectrum 1 weight 0.10000E+01 volume 0.70311E-03 ppm1 3.556 ppm2 8.081 CV 1 ASSI { 887} (( segid " A" and resid 134 and name HD1 )) (( segid " A" and resid 133 and name HN )) 6.000 4.500 0.000 peak 887 spectrum 1 weight 0.10000E+01 volume 0.65407E-03 ppm1 3.747 ppm2 8.653 CV 1 ASSI { 888} (( segid " A" and resid 142 and name HB2 )) (( segid " A" and resid 143 and name HN )) 6.000 4.500 0.000 peak 888 spectrum 1 weight 0.10000E+01 volume 0.55508E-03 ppm1 2.641 ppm2 8.612 CV 1 ASSI { 889} (( segid " A" and resid 142 and name HB1 )) (( segid " A" and resid 143 and name HN )) 6.000 4.500 0.000 peak 889 spectrum 1 weight 0.10000E+01 volume 0.71976E-03 ppm1 2.846 ppm2 8.613 CV 1 ASSI { 890} (( segid " A" and resid 157 and name HA )) (( segid " A" and resid 157 and name HN )) 6.000 4.500 0.000 peak 890 spectrum 1 weight 0.10000E+01 volume 0.86408E-03 ppm1 5.482 ppm2 8.480 CV 1 ASSI { 891} (( segid " A" and resid 159 and name HB1 )) (( segid " A" and resid 159 and name HN )) 6.000 4.500 0.000 peak 891 spectrum 1 weight 0.10000E+01 volume 0.53473E-03 ppm1 1.696 ppm2 8.670 CV 1 ASSI { 892} ( segid " A" and resid 162 and name HG2%) (( segid " A" and resid 166 and name HN )) 6.000 4.500 0.000 peak 892 spectrum 1 weight 0.10000E+01 volume 0.10389E-02 ppm1 0.796 ppm2 5.918 CV 1 ASSI { 893} (( segid " A" and resid 163 and name HA )) (( segid " A" and resid 164 and name HN )) 6.000 4.500 0.000 peak 893 spectrum 1 weight 0.10000E+01 volume 0.70681E-03 ppm1 4.168 ppm2 9.511 CV 1 ASSI { 894} (( segid " A" and resid 163 and name HB2 )) (( segid " A" and resid 164 and name HN )) 6.000 4.500 0.000 peak 894 spectrum 1 weight 0.10000E+01 volume 0.56804E-03 ppm1 2.142 ppm2 9.498 CV 1 ASSI { 895} (( segid " A" and resid 163 and name HG2 )) (( segid " A" and resid 164 and name HN )) 6.000 4.500 0.000 peak 895 spectrum 1 weight 0.10000E+01 volume 0.62262E-03 ppm1 1.891 ppm2 9.513 CV 1 ASSI { 896} ( segid " A" and resid 165 and name HB% ) (( segid " A" and resid 166 and name HN )) 6.000 4.500 0.000 peak 896 spectrum 1 weight 0.10000E+01 volume 0.19548E-02 ppm1 0.667 ppm2 5.930 CV 1 ASSI { 897} (( segid " A" and resid 166 and name HA )) (( segid " A" and resid 166 and name HN )) 6.000 4.500 0.000 peak 897 spectrum 1 weight 0.10000E+01 volume 0.15320E-02 ppm1 3.667 ppm2 5.921 CV 1 ASSI { 898} ( segid " A" and resid 166 and name HB% ) (( segid " A" and resid 166 and name HN )) 6.000 4.500 0.000 peak 898 spectrum 1 weight 0.10000E+01 volume 0.43565E-02 ppm1 1.478 ppm2 5.928 CV 1 ASSI { 899} (( segid " A" and resid 185 and name HB )) (( segid " A" and resid 186 and name HN )) 6.000 4.500 0.000 peak 899 spectrum 1 weight 0.10000E+01 volume 0.70311E-03 ppm1 1.915 ppm2 9.002 CV 1 ASSI { 900} (( segid " A" and resid 196 and name HB2 )) (( segid " A" and resid 197 and name HN )) 6.000 4.500 0.000 peak 900 spectrum 1 weight 0.10000E+01 volume 0.65870E-03 ppm1 2.404 ppm2 7.162 CV 1 ASSI { 901} (( segid " A" and resid 212 and name HB2 )) (( segid " A" and resid 212 and name HN )) 6.000 4.500 0.000 peak 901 spectrum 1 weight 0.10000E+01 volume 0.55693E-03 ppm1 2.519 ppm2 9.172 CV 1 ASSI { 902} (( segid " A" and resid 212 and name HB1 )) (( segid " A" and resid 212 and name HN )) 6.000 4.500 0.000 peak 902 spectrum 1 weight 0.10000E+01 volume 0.58931E-03 ppm1 2.330 ppm2 9.185 CV 1 ASSI { 903} (( segid " A" and resid 231 and name HA )) (( segid " A" and resid 231 and name HN )) 6.000 4.500 0.000 peak 903 spectrum 1 weight 0.10000E+01 volume 0.44148E-02 ppm1 3.889 ppm2 7.476 CV 1 ASSI { 904} (( segid " A" and resid 242 and name HB2 )) (( segid " A" and resid 243 and name HN )) 6.000 4.500 0.000 peak 904 spectrum 1 weight 0.10000E+01 volume 0.18577E-02 ppm1 1.386 ppm2 8.470 CV 1 ASSI { 906} (( segid " A" and resid 249 and name HB2 )) (( segid " A" and resid 250 and name HN )) 6.000 4.500 0.000 peak 906 spectrum 1 weight 0.10000E+01 volume 0.58561E-03 ppm1 2.610 ppm2 8.634 CV 1 ASSI { 907} (( segid " A" and resid 253 and name HA1 )) (( segid " A" and resid 253 and name HN )) 6.000 4.500 0.000 peak 907 spectrum 1 weight 0.10000E+01 volume 0.65962E-03 ppm1 4.022 ppm2 8.794 CV 1 ASSI { 908} (( segid " A" and resid 256 and name HA )) (( segid " A" and resid 257 and name HN )) 6.000 4.500 0.000 peak 908 spectrum 1 weight 0.10000E+01 volume 0.18262E-02 ppm1 5.055 ppm2 8.852 CV 1 ASSI { 909} (( segid " A" and resid 139 and name HG1 )) (( segid " A" and resid 140 and name HN )) 6.000 4.500 0.000 peak 909 spectrum 1 weight 0.10000E+01 volume 0.72438E-03 ppm1 1.305 ppm2 7.736 CV 1 ASSI { 1} (( segid " B" and resid 28 and name HB1 )) (( segid " B" and resid 28 and name HA )) 6.000 4.500 0.000 peak 1 spectrum 1 weight 0.10000E+01 volume 0.80371E-02 ppm1 2.902 ppm2 4.649 CV 1 OR { 1} (( segid " B" and resid 28 and name HB2 )) (( segid " B" and resid 28 and name HA )) ASSI { 2} (( segid " B" and resid 32 and name HD2 )) (( segid " B" and resid 28 and name HA )) 6.000 4.500 0.000 peak 2 spectrum 1 weight 0.10000E+01 volume 0.10181E-02 ppm1 1.735 ppm2 4.647 CV 1 OR { 2} (( segid " B" and resid 32 and name HD1 )) (( segid " B" and resid 28 and name HA )) ASSI { 9} (( segid " B" and resid 32 and name HE2 )) (( segid " B" and resid 29 and name HA )) 6.000 4.500 0.000 peak 9 spectrum 1 weight 0.10000E+01 volume 0.27064E-02 ppm1 3.013 ppm2 4.476 CV 1 OR { 9} (( segid " B" and resid 32 and name HE1 )) (( segid " B" and resid 29 and name HA )) ASSI { 10} (( segid " B" and resid 29 and name HB1 )) (( segid " B" and resid 29 and name HA )) 6.000 4.500 0.000 peak 10 spectrum 1 weight 0.10000E+01 volume 0.50924E-02 ppm1 2.749 ppm2 4.476 CV 1 ASSI { 11} (( segid " B" and resid 29 and name HB2 )) (( segid " B" and resid 29 and name HA )) 6.000 4.500 0.000 peak 11 spectrum 1 weight 0.10000E+01 volume 0.34349E-02 ppm1 2.667 ppm2 4.480 CV 1 ASSI { 12} (( segid " B" and resid 36 and name HG2 )) (( segid " B" and resid 33 and name HA )) 6.000 4.500 0.000 peak 12 spectrum 1 weight 0.10000E+01 volume 0.16488E-02 ppm1 2.542 ppm2 4.467 CV 1 ASSI { 13} (( segid " B" and resid 36 and name HG1 )) (( segid " B" and resid 33 and name HA )) 6.000 4.500 0.000 peak 13 spectrum 1 weight 0.10000E+01 volume 0.19334E-02 ppm1 2.489 ppm2 4.467 CV 1 ASSI { 15} (( segid " B" and resid 32 and name HB1 )) (( segid " B" and resid 29 and name HA )) 6.000 4.500 0.000 peak 15 spectrum 1 weight 0.10000E+01 volume 0.17221E-02 ppm1 1.926 ppm2 4.475 CV 1 ASSI { 16} (( segid " B" and resid 32 and name HD2 )) (( segid " B" and resid 29 and name HA )) 6.000 4.500 0.000 peak 16 spectrum 1 weight 0.10000E+01 volume 0.23998E-02 ppm1 1.736 ppm2 4.480 CV 1 OR { 16} (( segid " B" and resid 32 and name HD1 )) (( segid " B" and resid 29 and name HA )) ASSI { 17} (( segid " B" and resid 36 and name HB2 )) (( segid " B" and resid 33 and name HA )) 6.000 4.500 0.000 peak 17 spectrum 1 weight 0.10000E+01 volume 0.14582E-02 ppm1 2.303 ppm2 4.462 CV 1 ASSI { 18} (( segid " B" and resid 36 and name HB1 )) (( segid " B" and resid 33 and name HA )) 6.000 4.500 0.000 peak 18 spectrum 1 weight 0.10000E+01 volume 0.18381E-02 ppm1 2.260 ppm2 4.466 CV 1 ASSI { 19} (( segid " B" and resid 32 and name HG2 )) (( segid " B" and resid 29 and name HA )) 6.000 4.500 0.000 peak 19 spectrum 1 weight 0.10000E+01 volume 0.76609E-03 ppm1 1.654 ppm2 4.475 CV 1 ASSI { 20} (( segid " B" and resid 32 and name HG1 )) (( segid " B" and resid 29 and name HA )) 6.000 4.500 0.000 peak 20 spectrum 1 weight 0.10000E+01 volume 0.90589E-03 ppm1 1.476 ppm2 4.473 CV 1 ASSI { 22} (( segid " B" and resid 44 and name HE1 )) (( segid " B" and resid 44 and name HA )) 6.000 4.500 0.000 peak 22 spectrum 1 weight 0.10000E+01 volume 0.14350E-02 ppm1 3.000 ppm2 4.229 CV 1 OR { 22} (( segid " B" and resid 44 and name HE2 )) (( segid " B" and resid 44 and name HA )) ASSI { 23} (( segid " B" and resid 31 and name HB1 )) (( segid " B" and resid 31 and name HA )) 6.000 4.500 0.000 peak 23 spectrum 1 weight 0.10000E+01 volume 0.77361E-03 ppm1 3.215 ppm2 4.229 CV 1 OR { 23} (( segid " B" and resid 31 and name HB2 )) (( segid " B" and resid 31 and name HA )) ASSI { 24} (( segid " B" and resid 44 and name HB2 )) (( segid " B" and resid 44 and name HA )) 6.000 4.500 0.000 peak 24 spectrum 1 weight 0.10000E+01 volume 0.63569E-02 ppm1 1.960 ppm2 4.231 CV 1 OR { 24} (( segid " B" and resid 44 and name HB1 )) (( segid " B" and resid 44 and name HA )) ASSI { 25} (( segid " B" and resid 44 and name HD2 )) (( segid " B" and resid 44 and name HA )) 6.000 4.500 0.000 peak 25 spectrum 1 weight 0.10000E+01 volume 0.26349E-02 ppm1 1.729 ppm2 4.231 CV 1 OR { 25} (( segid " B" and resid 44 and name HD1 )) (( segid " B" and resid 44 and name HA )) ASSI { 26} ( segid " B" and resid 35 and name HD1%) (( segid " B" and resid 31 and name HA )) 6.000 4.500 0.000 peak 26 spectrum 1 weight 0.10000E+01 volume 0.69776E-03 ppm1 0.838 ppm2 4.243 CV 1 ASSI { 27} (( segid " B" and resid 44 and name HG2 )) (( segid " B" and resid 44 and name HA )) 6.000 4.500 0.000 peak 27 spectrum 1 weight 0.10000E+01 volume 0.20820E-02 ppm1 1.553 ppm2 4.236 CV 1 ASSI { 28} (( segid " B" and resid 44 and name HG1 )) (( segid " B" and resid 44 and name HA )) 6.000 4.500 0.000 peak 28 spectrum 1 weight 0.10000E+01 volume 0.24249E-02 ppm1 1.511 ppm2 4.235 CV 1 ASSI { 29} ( segid " B" and resid 42 and name HB% ) (( segid " B" and resid 42 and name HA )) 6.000 4.500 0.000 peak 29 spectrum 1 weight 0.10000E+01 volume 0.23108E-01 ppm1 1.479 ppm2 4.166 CV 1 ASSI { 30} (( segid " B" and resid 40 and name HG2 )) (( segid " B" and resid 40 and name HA )) 6.000 4.500 0.000 peak 30 spectrum 1 weight 0.10000E+01 volume 0.47934E-02 ppm1 2.555 ppm2 4.133 CV 1 ASSI { 31} (( segid " B" and resid 40 and name HG1 )) (( segid " B" and resid 40 and name HA )) 6.000 4.500 0.000 peak 31 spectrum 1 weight 0.10000E+01 volume 0.46154E-02 ppm1 2.437 ppm2 4.139 CV 1 ASSI { 32} (( segid " B" and resid 40 and name HB1 )) (( segid " B" and resid 40 and name HA )) 6.000 4.500 0.000 peak 32 spectrum 1 weight 0.10000E+01 volume 0.42160E-02 ppm1 2.205 ppm2 4.137 CV 1 ASSI { 34} (( segid " B" and resid 33 and name HB1 )) (( segid " B" and resid 30 and name HA )) 6.000 4.500 0.000 peak 34 spectrum 1 weight 0.10000E+01 volume 0.11234E-02 ppm1 2.802 ppm2 4.094 CV 1 ASSI { 35} (( segid " B" and resid 33 and name HB2 )) (( segid " B" and resid 30 and name HA )) 6.000 4.500 0.000 peak 35 spectrum 1 weight 0.10000E+01 volume 0.15240E-02 ppm1 2.763 ppm2 4.086 CV 1 ASSI { 36} (( segid " B" and resid 45 and name HB )) (( segid " B" and resid 45 and name HA )) 6.000 4.500 0.000 peak 36 spectrum 1 weight 0.10000E+01 volume 0.22864E-02 ppm1 1.899 ppm2 4.102 CV 1 ASSI { 37} ( segid " B" and resid 30 and name HB% ) (( segid " B" and resid 30 and name HA )) 6.000 4.500 0.000 peak 37 spectrum 1 weight 0.10000E+01 volume 0.22469E-02 ppm1 1.200 ppm2 4.103 CV 1 ASSI { 38} ( segid " B" and resid 45 and name HG2%) (( segid " B" and resid 45 and name HA )) 6.000 4.500 0.000 peak 38 spectrum 1 weight 0.10000E+01 volume 0.10093E-02 ppm1 0.785 ppm2 4.099 CV 1 ASSI { 39} (( segid " B" and resid 39 and name HD1 )) (( segid " B" and resid 39 and name HA )) 6.000 4.500 0.000 peak 39 spectrum 1 weight 0.10000E+01 volume 0.27490E-02 ppm1 3.187 ppm2 4.062 CV 1 OR { 39} (( segid " B" and resid 39 and name HD2 )) (( segid " B" and resid 39 and name HA )) ASSI { 40} (( segid " B" and resid 36 and name HG2 )) (( segid " B" and resid 36 and name HA )) 6.000 4.500 0.000 peak 40 spectrum 1 weight 0.10000E+01 volume 0.48649E-02 ppm1 2.543 ppm2 4.077 CV 1 ASSI { 41} (( segid " B" and resid 36 and name HG1 )) (( segid " B" and resid 36 and name HA )) 6.000 4.500 0.000 peak 41 spectrum 1 weight 0.10000E+01 volume 0.38781E-02 ppm1 2.484 ppm2 4.067 CV 1 ASSI { 42} (( segid " B" and resid 39 and name HB2 )) (( segid " B" and resid 39 and name HA )) 6.000 4.500 0.000 peak 42 spectrum 1 weight 0.10000E+01 volume 0.17598E-02 ppm1 1.937 ppm2 4.066 CV 1 ASSI { 43} (( segid " B" and resid 44 and name HD2 )) (( segid " B" and resid 45 and name HA )) 6.000 4.500 0.000 peak 43 spectrum 1 weight 0.10000E+01 volume 0.85950E-03 ppm1 1.735 ppm2 4.079 CV 1 OR { 43} (( segid " B" and resid 44 and name HD1 )) (( segid " B" and resid 45 and name HA )) ASSI { 44} (( segid " B" and resid 36 and name HB2 )) (( segid " B" and resid 36 and name HA )) 6.000 4.500 0.000 peak 44 spectrum 1 weight 0.10000E+01 volume 0.43263E-02 ppm1 2.291 ppm2 4.074 CV 1 ASSI { 45} (( segid " B" and resid 36 and name HB1 )) (( segid " B" and resid 36 and name HA )) 6.000 4.500 0.000 peak 45 spectrum 1 weight 0.10000E+01 volume 0.44586E-02 ppm1 2.263 ppm2 4.074 CV 1 ASSI { 46} (( segid " B" and resid 39 and name HB1 )) (( segid " B" and resid 39 and name HA )) 6.000 4.500 0.000 peak 46 spectrum 1 weight 0.10000E+01 volume 0.17021E-02 ppm1 1.983 ppm2 4.046 CV 1 ASSI { 50} ( segid " B" and resid 41 and name HD1%) (( segid " B" and resid 39 and name HA )) 6.000 4.500 0.000 peak 50 spectrum 1 weight 0.10000E+01 volume 0.71280E-03 ppm1 0.982 ppm2 4.059 CV 1 ASSI { 51} (( segid " B" and resid 31 and name HA )) (( segid " B" and resid 27 and name HA )) 6.000 4.500 0.000 peak 51 spectrum 1 weight 0.10000E+01 volume 0.54730E-03 ppm1 4.239 ppm2 3.973 CV 1 OR { 51} (( segid " B" and resid 31 and name HA )) (( segid " B" and resid 35 and name HA )) ASSI { 52} (( segid " B" and resid 27 and name HB )) (( segid " B" and resid 27 and name HA )) 6.000 4.500 0.000 peak 52 spectrum 1 weight 0.10000E+01 volume 0.52780E-02 ppm1 2.021 ppm2 3.988 CV 1 ASSI { 54} ( segid " B" and resid 27 and name HG1%) (( segid " B" and resid 27 and name HA )) 6.000 4.500 0.000 peak 54 spectrum 1 weight 0.10000E+01 volume 0.68585E-02 ppm1 0.880 ppm2 3.989 CV 1 OR { 54} ( segid " B" and resid 27 and name HG2%) (( segid " B" and resid 27 and name HA )) ASSI { 55} ( segid " B" and resid 42 and name HB% ) (( segid " B" and resid 38 and name HA )) 6.000 4.500 0.000 peak 55 spectrum 1 weight 0.10000E+01 volume 0.18074E-02 ppm1 1.473 ppm2 3.977 CV 1 ASSI { 56} ( segid " B" and resid 30 and name HB% ) (( segid " B" and resid 27 and name HA )) 6.000 4.500 0.000 peak 56 spectrum 1 weight 0.10000E+01 volume 0.12676E-02 ppm1 1.196 ppm2 3.978 CV 1 ASSI { 57} (( segid " B" and resid 35 and name HB1 )) (( segid " B" and resid 35 and name HA )) 6.000 4.500 0.000 peak 57 spectrum 1 weight 0.10000E+01 volume 0.16212E-02 ppm1 1.469 ppm2 3.957 CV 1 ASSI { 58} (( segid " B" and resid 41 and name HB )) (( segid " B" and resid 38 and name HA )) 6.000 4.500 0.000 peak 58 spectrum 1 weight 0.10000E+01 volume 0.15811E-02 ppm1 1.992 ppm2 3.945 CV 1 ASSI { 59} ( segid " B" and resid 35 and name HD2%) (( segid " B" and resid 35 and name HA )) 6.000 4.500 0.000 peak 59 spectrum 1 weight 0.10000E+01 volume 0.65387E-02 ppm1 0.773 ppm2 3.952 CV 1 ASSI { 60} (( segid " B" and resid 35 and name HG )) (( segid " B" and resid 35 and name HA )) 6.000 4.500 0.000 peak 60 spectrum 1 weight 0.10000E+01 volume 0.10701E-02 ppm1 1.341 ppm2 3.937 CV 1 ASSI { 61} ( segid " B" and resid 35 and name HD1%) (( segid " B" and resid 35 and name HA )) 6.000 4.500 0.000 peak 61 spectrum 1 weight 0.10000E+01 volume 0.33339E-02 ppm1 0.835 ppm2 3.941 CV 1 ASSI { 62} ( segid " B" and resid 41 and name HD1%) (( segid " B" and resid 34 and name HA )) 6.000 4.500 0.000 peak 62 spectrum 1 weight 0.10000E+01 volume 0.99554E-03 ppm1 0.980 ppm2 3.911 CV 1 ASSI { 63} (( segid " B" and resid 41 and name HB )) (( segid " B" and resid 41 and name HA )) 6.000 4.500 0.000 peak 63 spectrum 1 weight 0.10000E+01 volume 0.14814E-02 ppm1 1.997 ppm2 3.876 CV 1 ASSI { 64} (( segid " B" and resid 32 and name HE2 )) (( segid " B" and resid 32 and name HA )) 6.000 4.500 0.000 peak 64 spectrum 1 weight 0.10000E+01 volume 0.18431E-02 ppm1 3.006 ppm2 3.856 CV 1 OR { 64} (( segid " B" and resid 32 and name HE1 )) (( segid " B" and resid 32 and name HA )) ASSI { 65} (( segid " B" and resid 41 and name HG11)) (( segid " B" and resid 41 and name HA )) 6.000 4.500 0.000 peak 65 spectrum 1 weight 0.10000E+01 volume 0.75355E-03 ppm1 1.368 ppm2 3.868 CV 1 ASSI { 67} (( segid " B" and resid 44 and name HG1 )) (( segid " B" and resid 41 and name HA )) 6.000 4.500 0.000 peak 67 spectrum 1 weight 0.10000E+01 volume 0.89712E-03 ppm1 1.505 ppm2 3.866 CV 1 ASSI { 68} ( segid " B" and resid 41 and name HG2%) (( segid " B" and resid 41 and name HA )) 6.000 4.500 0.000 peak 68 spectrum 1 weight 0.10000E+01 volume 0.14118E-02 ppm1 0.959 ppm2 3.859 CV 1 ASSI { 69} (( segid " B" and resid 35 and name HB1 )) (( segid " B" and resid 32 and name HA )) 6.000 4.500 0.000 peak 69 spectrum 1 weight 0.10000E+01 volume 0.11272E-02 ppm1 1.476 ppm2 3.833 CV 1 ASSI { 70} (( segid " B" and resid 32 and name HB2 )) (( segid " B" and resid 32 and name HA )) 6.000 4.500 0.000 peak 70 spectrum 1 weight 0.10000E+01 volume 0.35759E-02 ppm1 1.926 ppm2 3.835 CV 1 OR { 70} (( segid " B" and resid 32 and name HB1 )) (( segid " B" and resid 32 and name HA )) ASSI { 71} (( segid " B" and resid 32 and name HD2 )) (( segid " B" and resid 32 and name HA )) 6.000 4.500 0.000 peak 71 spectrum 1 weight 0.10000E+01 volume 0.27848E-02 ppm1 1.732 ppm2 3.844 CV 1 OR { 71} (( segid " B" and resid 32 and name HD1 )) (( segid " B" and resid 32 and name HA )) ASSI { 72} (( segid " B" and resid 32 and name HG2 )) (( segid " B" and resid 32 and name HA )) 6.000 4.500 0.000 peak 72 spectrum 1 weight 0.10000E+01 volume 0.11767E-02 ppm1 1.670 ppm2 3.828 CV 1 ASSI { 73} ( segid " B" and resid 35 and name HD1%) (( segid " B" and resid 32 and name HA )) 6.000 4.500 0.000 peak 73 spectrum 1 weight 0.10000E+01 volume 0.50642E-02 ppm1 0.836 ppm2 3.831 CV 1 ASSI { 74} (( segid " B" and resid 32 and name HG1 )) (( segid " B" and resid 32 and name HA )) 6.000 4.500 0.000 peak 74 spectrum 1 weight 0.10000E+01 volume 0.21328E-02 ppm1 1.471 ppm2 3.822 CV 1 ASSI { 76} (( segid " B" and resid 28 and name HB1 )) (( segid " B" and resid 31 and name HB2 )) 6.000 4.500 0.000 peak 76 spectrum 1 weight 0.10000E+01 volume 0.99053E-03 ppm1 2.917 ppm2 3.236 CV 1 OR { 76} (( segid " B" and resid 28 and name HB2 )) (( segid " B" and resid 31 and name HB2 )) OR { 76} (( segid " B" and resid 28 and name HB1 )) (( segid " B" and resid 31 and name HB1 )) ASSI { 77} ( segid " B" and resid 35 and name HD1%) (( segid " B" and resid 39 and name HD1 )) 6.000 4.500 0.000 peak 77 spectrum 1 weight 0.10000E+01 volume 0.99053E-03 ppm1 0.838 ppm2 3.203 CV 1 OR { 77} ( segid " B" and resid 35 and name HD1%) (( segid " B" and resid 39 and name HD2 )) ASSI { 78} ( segid " B" and resid 35 and name HD2%) (( segid " B" and resid 39 and name HD2 )) 6.000 4.500 0.000 peak 78 spectrum 1 weight 0.10000E+01 volume 0.79305E-03 ppm1 0.777 ppm2 3.196 CV 1 OR { 78} ( segid " B" and resid 35 and name HD2%) (( segid " B" and resid 39 and name HD1 )) ASSI { 80} (( segid " B" and resid 39 and name HB1 )) (( segid " B" and resid 39 and name HD1 )) 6.000 4.500 0.000 peak 80 spectrum 1 weight 0.10000E+01 volume 0.19610E-02 ppm1 2.000 ppm2 3.180 CV 1 OR { 80} (( segid " B" and resid 39 and name HB1 )) (( segid " B" and resid 39 and name HD2 )) ASSI { 81} (( segid " B" and resid 39 and name HB2 )) (( segid " B" and resid 39 and name HD1 )) 6.000 4.500 0.000 peak 81 spectrum 1 weight 0.10000E+01 volume 0.17949E-02 ppm1 1.943 ppm2 3.181 CV 1 ASSI { 86} (( segid " B" and resid 32 and name HB2 )) (( segid " B" and resid 32 and name HE1 )) 6.000 4.500 0.000 peak 86 spectrum 1 weight 0.10000E+01 volume 0.11717E-02 ppm1 1.904 ppm2 3.009 CV 1 OR { 86} (( segid " B" and resid 32 and name HB2 )) (( segid " B" and resid 32 and name HE2 )) OR { 86} (( segid " B" and resid 32 and name HB1 )) (( segid " B" and resid 32 and name HE1 )) ASSI { 87} (( segid " B" and resid 44 and name HD2 )) (( segid " B" and resid 44 and name HE2 )) 6.000 4.500 0.000 peak 87 spectrum 1 weight 0.10000E+01 volume 0.16018E-01 ppm1 1.732 ppm2 3.007 CV 1 OR { 87} (( segid " B" and resid 44 and name HD1 )) (( segid " B" and resid 44 and name HE1 )) OR { 87} (( segid " B" and resid 44 and name HD2 )) (( segid " B" and resid 44 and name HE1 )) ASSI { 88} (( segid " B" and resid 32 and name HG2 )) (( segid " B" and resid 32 and name HE2 )) 6.000 4.500 0.000 peak 88 spectrum 1 weight 0.10000E+01 volume 0.18181E-02 ppm1 1.660 ppm2 3.014 CV 1 OR { 88} (( segid " B" and resid 32 and name HG2 )) (( segid " B" and resid 32 and name HE1 )) ASSI { 89} (( segid " B" and resid 32 and name HG1 )) (( segid " B" and resid 32 and name HE2 )) 6.000 4.500 0.000 peak 89 spectrum 1 weight 0.10000E+01 volume 0.29308E-02 ppm1 1.472 ppm2 3.013 CV 1 OR { 89} (( segid " B" and resid 32 and name HG1 )) (( segid " B" and resid 32 and name HE1 )) ASSI { 94} (( segid " B" and resid 44 and name HB1 )) (( segid " B" and resid 44 and name HE1 )) 6.000 4.500 0.000 peak 94 spectrum 1 weight 0.10000E+01 volume 0.24143E-02 ppm1 1.948 ppm2 3.002 CV 1 OR { 94} (( segid " B" and resid 44 and name HB1 )) (( segid " B" and resid 44 and name HE2 )) OR { 94} (( segid " B" and resid 44 and name HB2 )) (( segid " B" and resid 44 and name HE1 )) ASSI { 95} (( segid " B" and resid 44 and name HG2 )) (( segid " B" and resid 44 and name HE1 )) 6.000 4.500 0.000 peak 95 spectrum 1 weight 0.10000E+01 volume 0.23998E-02 ppm1 1.553 ppm2 2.997 CV 1 OR { 95} (( segid " B" and resid 44 and name HG2 )) (( segid " B" and resid 44 and name HE2 )) ASSI { 96} (( segid " B" and resid 44 and name HG1 )) (( segid " B" and resid 44 and name HE1 )) 6.000 4.500 0.000 peak 96 spectrum 1 weight 0.10000E+01 volume 0.28989E-02 ppm1 1.508 ppm2 2.998 CV 1 OR { 96} (( segid " B" and resid 44 and name HG1 )) (( segid " B" and resid 44 and name HE2 )) ASSI { 97} (( segid " B" and resid 37 and name HD2 )) (( segid " B" and resid 37 and name HD1 )) 6.000 4.500 0.000 peak 97 spectrum 1 weight 0.10000E+01 volume 0.11943E-02 ppm1 3.460 ppm2 2.952 CV 1 ASSI { 98} ( segid " B" and resid 27 and name HG1%) (( segid " B" and resid 28 and name HB1 )) 6.000 4.500 0.000 peak 98 spectrum 1 weight 0.10000E+01 volume 0.11002E-02 ppm1 0.892 ppm2 2.904 CV 1 OR { 98} ( segid " B" and resid 27 and name HG1%) (( segid " B" and resid 28 and name HB2 )) OR { 98} ( segid " B" and resid 27 and name HG2%) (( segid " B" and resid 28 and name HB1 )) ASSI { 100} ( segid " B" and resid 30 and name HB% ) (( segid " B" and resid 33 and name HB1 )) 6.000 4.500 0.000 peak 100 spectrum 1 weight 0.10000E+01 volume 0.74290E-03 ppm1 1.202 ppm2 2.777 CV 1 ASSI { 102} (( segid " B" and resid 32 and name HD2 )) (( segid " B" and resid 29 and name HB1 )) 6.000 4.500 0.000 peak 102 spectrum 1 weight 0.10000E+01 volume 0.11786E-02 ppm1 1.731 ppm2 2.731 CV 1 OR { 102} (( segid " B" and resid 32 and name HD1 )) (( segid " B" and resid 29 and name HB1 )) ASSI { 103} (( segid " B" and resid 32 and name HD2 )) (( segid " B" and resid 29 and name HB2 )) 6.000 4.500 0.000 peak 103 spectrum 1 weight 0.10000E+01 volume 0.11943E-02 ppm1 1.734 ppm2 2.690 CV 1 OR { 103} (( segid " B" and resid 32 and name HD1 )) (( segid " B" and resid 29 and name HB2 )) ASSI { 106} (( segid " B" and resid 40 and name HG1 )) (( segid " B" and resid 40 and name HG2 )) 6.000 4.500 0.000 peak 106 spectrum 1 weight 0.10000E+01 volume 0.32919E-01 ppm1 2.436 ppm2 2.553 CV 1 ASSI { 108} (( segid " B" and resid 40 and name HB1 )) (( segid " B" and resid 40 and name HG2 )) 6.000 4.500 0.000 peak 108 spectrum 1 weight 0.10000E+01 volume 0.36668E-02 ppm1 2.207 ppm2 2.547 CV 1 ASSI { 109} ( segid " B" and resid 43 and name HB% ) (( segid " B" and resid 40 and name HG2 )) 6.000 4.500 0.000 peak 109 spectrum 1 weight 0.10000E+01 volume 0.83066E-03 ppm1 1.485 ppm2 2.556 CV 1 ASSI { 110} (( segid " B" and resid 32 and name HE1 )) (( segid " B" and resid 36 and name HG2 )) 6.000 4.500 0.000 peak 110 spectrum 1 weight 0.10000E+01 volume 0.80559E-03 ppm1 3.005 ppm2 2.522 CV 1 OR { 110} (( segid " B" and resid 32 and name HE2 )) (( segid " B" and resid 36 and name HG2 )) ASSI { 112} (( segid " B" and resid 36 and name HB2 )) (( segid " B" and resid 36 and name HG1 )) 6.000 4.500 0.000 peak 112 spectrum 1 weight 0.10000E+01 volume 0.58836E-02 ppm1 2.296 ppm2 2.494 CV 1 ASSI { 113} ( segid " B" and resid 35 and name HD1%) (( segid " B" and resid 36 and name HG1 )) 6.000 4.500 0.000 peak 113 spectrum 1 weight 0.10000E+01 volume 0.62817E-03 ppm1 0.840 ppm2 2.495 CV 1 ASSI { 114} (( segid " B" and resid 36 and name HB1 )) (( segid " B" and resid 36 and name HG2 )) 6.000 4.500 0.000 peak 114 spectrum 1 weight 0.10000E+01 volume 0.68271E-02 ppm1 2.263 ppm2 2.501 CV 1 ASSI { 116} (( segid " B" and resid 40 and name HB1 )) (( segid " B" and resid 40 and name HG1 )) 6.000 4.500 0.000 peak 116 spectrum 1 weight 0.10000E+01 volume 0.56911E-02 ppm1 2.205 ppm2 2.433 CV 1 ASSI { 117} ( segid " B" and resid 43 and name HB% ) (( segid " B" and resid 40 and name HG1 )) 6.000 4.500 0.000 peak 117 spectrum 1 weight 0.10000E+01 volume 0.91530E-03 ppm1 1.483 ppm2 2.431 CV 1 ASSI { 122} (( segid " B" and resid 44 and name HE1 )) (( segid " B" and resid 40 and name HB2 )) 6.000 4.500 0.000 peak 122 spectrum 1 weight 0.10000E+01 volume 0.10789E-02 ppm1 3.009 ppm2 2.244 CV 1 OR { 122} (( segid " B" and resid 44 and name HE2 )) (( segid " B" and resid 40 and name HB2 )) ASSI { 123} (( segid " B" and resid 40 and name HG1 )) (( segid " B" and resid 40 and name HB2 )) 6.000 4.500 0.000 peak 123 spectrum 1 weight 0.10000E+01 volume 0.93599E-02 ppm1 2.438 ppm2 2.241 CV 1 ASSI { 127} ( segid " B" and resid 43 and name HB% ) (( segid " B" and resid 40 and name HB1 )) 6.000 4.500 0.000 peak 127 spectrum 1 weight 0.10000E+01 volume 0.11040E-02 ppm1 1.476 ppm2 2.219 CV 1 OR { 127} ( segid " B" and resid 42 and name HB% ) (( segid " B" and resid 40 and name HB1 )) ASSI { 132} ( segid " B" and resid 27 and name HG1%) (( segid " B" and resid 27 and name HB )) 6.000 4.500 0.000 peak 132 spectrum 1 weight 0.10000E+01 volume 0.10212E-01 ppm1 0.880 ppm2 2.018 CV 1 OR { 132} ( segid " B" and resid 27 and name HG2%) (( segid " B" and resid 27 and name HB )) ASSI { 135} ( segid " B" and resid 41 and name HG2%) (( segid " B" and resid 41 and name HB )) 6.000 4.500 0.000 peak 135 spectrum 1 weight 0.10000E+01 volume 0.19083E-02 ppm1 0.962 ppm2 1.980 CV 1 ASSI { 136} ( segid " B" and resid 41 and name HD1%) (( segid " B" and resid 41 and name HB )) 6.000 4.500 0.000 peak 136 spectrum 1 weight 0.10000E+01 volume 0.11234E-02 ppm1 0.982 ppm2 1.983 CV 1 ASSI { 138} (( segid " B" and resid 41 and name HG11)) (( segid " B" and resid 41 and name HB )) 6.000 4.500 0.000 peak 138 spectrum 1 weight 0.10000E+01 volume 0.90088E-03 ppm1 1.369 ppm2 1.960 CV 1 ASSI { 139} (( segid " B" and resid 44 and name HG2 )) (( segid " B" and resid 44 and name HB2 )) 6.000 4.500 0.000 peak 139 spectrum 1 weight 0.10000E+01 volume 0.44655E-02 ppm1 1.550 ppm2 1.959 CV 1 OR { 139} (( segid " B" and resid 44 and name HG2 )) (( segid " B" and resid 44 and name HB1 )) ASSI { 140} (( segid " B" and resid 44 and name HG1 )) (( segid " B" and resid 44 and name HB1 )) 6.000 4.500 0.000 peak 140 spectrum 1 weight 0.10000E+01 volume 0.53062E-02 ppm1 1.508 ppm2 1.958 CV 1 OR { 140} (( segid " B" and resid 44 and name HG1 )) (( segid " B" and resid 44 and name HB2 )) ASSI { 141} (( segid " B" and resid 40 and name HA )) (( segid " B" and resid 39 and name HB2 )) 6.000 4.500 0.000 peak 141 spectrum 1 weight 0.10000E+01 volume 0.86452E-03 ppm1 4.135 ppm2 1.949 CV 1 OR { 141} (( segid " B" and resid 40 and name HA )) (( segid " B" and resid 44 and name HB1 )) ASSI { 142} (( segid " B" and resid 32 and name HE1 )) (( segid " B" and resid 32 and name HB2 )) 6.000 4.500 0.000 peak 142 spectrum 1 weight 0.10000E+01 volume 0.68083E-02 ppm1 3.007 ppm2 1.947 CV 1 OR { 142} (( segid " B" and resid 44 and name HE1 )) (( segid " B" and resid 44 and name HB1 )) OR { 142} (( segid " B" and resid 32 and name HE2 )) (( segid " B" and resid 32 and name HB2 )) OR { 142} (( segid " B" and resid 44 and name HE2 )) (( segid " B" and resid 44 and name HB1 )) OR { 142} (( segid " B" and resid 32 and name HE1 )) (( segid " B" and resid 32 and name HB1 )) OR { 142} (( segid " B" and resid 44 and name HE1 )) (( segid " B" and resid 44 and name HB2 )) ASSI { 143} (( segid " B" and resid 33 and name HB1 )) (( segid " B" and resid 32 and name HB1 )) 6.000 4.500 0.000 peak 143 spectrum 1 weight 0.10000E+01 volume 0.66829E-03 ppm1 2.798 ppm2 1.935 CV 1 OR { 143} (( segid " B" and resid 33 and name HB1 )) (( segid " B" and resid 32 and name HB2 )) ASSI { 144} (( segid " B" and resid 33 and name HB2 )) (( segid " B" and resid 32 and name HB1 )) 6.000 4.500 0.000 peak 144 spectrum 1 weight 0.10000E+01 volume 0.11071E-02 ppm1 2.742 ppm2 1.929 CV 1 OR { 144} (( segid " B" and resid 33 and name HB2 )) (( segid " B" and resid 32 and name HB2 )) ASSI { 145} (( segid " B" and resid 40 and name HG1 )) (( segid " B" and resid 44 and name HB1 )) 6.000 4.500 0.000 peak 145 spectrum 1 weight 0.10000E+01 volume 0.12388E-02 ppm1 2.440 ppm2 1.939 CV 1 OR { 145} (( segid " B" and resid 40 and name HG1 )) (( segid " B" and resid 44 and name HB2 )) ASSI { 146} (( segid " B" and resid 32 and name HD1 )) (( segid " B" and resid 32 and name HB2 )) 6.000 4.500 0.000 peak 146 spectrum 1 weight 0.10000E+01 volume 0.13378E-01 ppm1 1.731 ppm2 1.941 CV 1 OR { 146} (( segid " B" and resid 32 and name HD1 )) (( segid " B" and resid 32 and name HB1 )) OR { 146} (( segid " B" and resid 32 and name HD2 )) (( segid " B" and resid 32 and name HB1 )) ASSI { 147} (( segid " B" and resid 40 and name HB2 )) (( segid " B" and resid 39 and name HB2 )) 6.000 4.500 0.000 peak 147 spectrum 1 weight 0.10000E+01 volume 0.13924E-02 ppm1 2.259 ppm2 1.931 CV 1 OR { 147} (( segid " B" and resid 36 and name HB1 )) (( segid " B" and resid 39 and name HB2 )) OR { 147} (( segid " B" and resid 36 and name HB2 )) (( segid " B" and resid 32 and name HB2 )) OR { 147} (( segid " B" and resid 40 and name HB2 )) (( segid " B" and resid 44 and name HB1 )) OR { 147} (( segid " B" and resid 36 and name HB2 )) (( segid " B" and resid 39 and name HB2 )) OR { 147} (( segid " B" and resid 36 and name HB2 )) (( segid " B" and resid 32 and name HB1 )) ASSI { 148} (( segid " B" and resid 36 and name HB2 )) (( segid " B" and resid 32 and name HB2 )) 6.000 4.500 0.000 peak 148 spectrum 1 weight 0.10000E+01 volume 0.10952E-02 ppm1 2.301 ppm2 1.930 CV 1 OR { 148} (( segid " B" and resid 36 and name HB2 )) (( segid " B" and resid 39 and name HB2 )) OR { 148} (( segid " B" and resid 36 and name HB2 )) (( segid " B" and resid 32 and name HB1 )) ASSI { 149} ( segid " B" and resid 43 and name HB% ) (( segid " B" and resid 44 and name HB1 )) 6.000 4.500 0.000 peak 149 spectrum 1 weight 0.10000E+01 volume 0.16087E-02 ppm1 1.476 ppm2 1.950 CV 1 OR { 149} ( segid " B" and resid 42 and name HB% ) (( segid " B" and resid 39 and name HB2 )) OR { 149} ( segid " B" and resid 43 and name HB% ) (( segid " B" and resid 44 and name HB2 )) ASSI { 152} (( segid " B" and resid 29 and name HA )) (( segid " B" and resid 32 and name HB1 )) 6.000 4.500 0.000 peak 152 spectrum 1 weight 0.10000E+01 volume 0.37170E-02 ppm1 4.479 ppm2 1.922 CV 1 ASSI { 154} (( segid " B" and resid 36 and name HG1 )) (( segid " B" and resid 32 and name HB2 )) 6.000 4.500 0.000 peak 154 spectrum 1 weight 0.10000E+01 volume 0.15886E-02 ppm1 2.482 ppm2 1.916 CV 1 OR { 154} (( segid " B" and resid 36 and name HG1 )) (( segid " B" and resid 32 and name HB1 )) ASSI { 156} (( segid " B" and resid 32 and name HG2 )) (( segid " B" and resid 32 and name HB2 )) 6.000 4.500 0.000 peak 156 spectrum 1 weight 0.10000E+01 volume 0.44442E-02 ppm1 1.661 ppm2 1.921 CV 1 OR { 156} (( segid " B" and resid 32 and name HG2 )) (( segid " B" and resid 32 and name HB1 )) ASSI { 157} (( segid " B" and resid 32 and name HG1 )) (( segid " B" and resid 32 and name HB1 )) 6.000 4.500 0.000 peak 157 spectrum 1 weight 0.10000E+01 volume 0.52849E-02 ppm1 1.473 ppm2 1.921 CV 1 OR { 157} (( segid " B" and resid 32 and name HG1 )) (( segid " B" and resid 32 and name HB2 )) ASSI { 158} ( segid " B" and resid 35 and name HD1%) (( segid " B" and resid 32 and name HB2 )) 6.000 4.500 0.000 peak 158 spectrum 1 weight 0.10000E+01 volume 0.29484E-02 ppm1 0.837 ppm2 1.913 CV 1 OR { 158} ( segid " B" and resid 35 and name HD1%) (( segid " B" and resid 32 and name HB1 )) ASSI { 161} ( segid " B" and resid 45 and name HG2%) (( segid " B" and resid 45 and name HB )) 6.000 4.500 0.000 peak 161 spectrum 1 weight 0.10000E+01 volume 0.15510E-02 ppm1 0.798 ppm2 1.901 CV 1 ASSI { 162} (( segid " B" and resid 37 and name HD2 )) (( segid " B" and resid 37 and name HG2 )) 6.000 4.500 0.000 peak 162 spectrum 1 weight 0.10000E+01 volume 0.11447E-02 ppm1 3.470 ppm2 1.879 CV 1 ASSI { 163} (( segid " B" and resid 38 and name HA )) (( segid " B" and resid 39 and name HG2 )) 6.000 4.500 0.000 peak 163 spectrum 1 weight 0.10000E+01 volume 0.86452E-03 ppm1 3.977 ppm2 1.758 CV 1 OR { 163} (( segid " B" and resid 38 and name HA )) (( segid " B" and resid 39 and name HG1 )) ASSI { 164} (( segid " B" and resid 44 and name HA )) (( segid " B" and resid 44 and name HD2 )) 6.000 4.500 0.000 peak 164 spectrum 1 weight 0.10000E+01 volume 0.15936E-02 ppm1 4.235 ppm2 1.723 CV 1 OR { 164} (( segid " B" and resid 44 and name HA )) (( segid " B" and resid 44 and name HD1 )) ASSI { 165} (( segid " B" and resid 29 and name HA )) (( segid " B" and resid 32 and name HD2 )) 6.000 4.500 0.000 peak 165 spectrum 1 weight 0.10000E+01 volume 0.25070E-02 ppm1 4.482 ppm2 1.724 CV 1 OR { 165} (( segid " B" and resid 29 and name HA )) (( segid " B" and resid 32 and name HD1 )) ASSI { 166} (( segid " B" and resid 44 and name HE2 )) (( segid " B" and resid 44 and name HD2 )) 6.000 4.500 0.000 peak 166 spectrum 1 weight 0.10000E+01 volume 0.25584E-01 ppm1 3.009 ppm2 1.729 CV 1 OR { 166} (( segid " B" and resid 32 and name HE1 )) (( segid " B" and resid 32 and name HD1 )) OR { 166} (( segid " B" and resid 32 and name HE2 )) (( segid " B" and resid 32 and name HD2 )) OR { 166} (( segid " B" and resid 44 and name HE1 )) (( segid " B" and resid 44 and name HD1 )) OR { 166} (( segid " B" and resid 44 and name HE1 )) (( segid " B" and resid 44 and name HD2 )) OR { 166} (( segid " B" and resid 32 and name HE1 )) (( segid " B" and resid 32 and name HD2 )) ASSI { 167} (( segid " B" and resid 44 and name HB1 )) (( segid " B" and resid 44 and name HD1 )) 6.000 4.500 0.000 peak 167 spectrum 1 weight 0.10000E+01 volume 0.70904E-02 ppm1 1.948 ppm2 1.721 CV 1 OR { 167} (( segid " B" and resid 44 and name HB2 )) (( segid " B" and resid 44 and name HD2 )) OR { 167} (( segid " B" and resid 44 and name HB1 )) (( segid " B" and resid 44 and name HD2 )) OR { 167} (( segid " B" and resid 44 and name HB2 )) (( segid " B" and resid 44 and name HD1 )) ASSI { 168} (( segid " B" and resid 44 and name HG2 )) (( segid " B" and resid 44 and name HD2 )) 6.000 4.500 0.000 peak 168 spectrum 1 weight 0.10000E+01 volume 0.10601E-01 ppm1 1.553 ppm2 1.723 CV 1 OR { 168} (( segid " B" and resid 44 and name HG2 )) (( segid " B" and resid 44 and name HD1 )) ASSI { 169} (( segid " B" and resid 44 and name HG1 )) (( segid " B" and resid 44 and name HD1 )) 6.000 4.500 0.000 peak 169 spectrum 1 weight 0.10000E+01 volume 0.11767E-01 ppm1 1.509 ppm2 1.723 CV 1 OR { 169} (( segid " B" and resid 44 and name HG1 )) (( segid " B" and resid 44 and name HD2 )) ASSI { 170} (( segid " B" and resid 35 and name HB1 )) (( segid " B" and resid 35 and name HB2 )) 6.000 4.500 0.000 peak 170 spectrum 1 weight 0.10000E+01 volume 0.33747E-02 ppm1 1.475 ppm2 1.701 CV 1 ASSI { 171} (( segid " B" and resid 41 and name HB )) (( segid " B" and resid 41 and name HG12)) 6.000 4.500 0.000 peak 171 spectrum 1 weight 0.10000E+01 volume 0.11466E-02 ppm1 1.990 ppm2 1.713 CV 1 ASSI { 172} (( segid " B" and resid 40 and name HG1 )) (( segid " B" and resid 44 and name HD1 )) 6.000 4.500 0.000 peak 172 spectrum 1 weight 0.10000E+01 volume 0.83192E-03 ppm1 2.442 ppm2 1.710 CV 1 OR { 172} (( segid " B" and resid 40 and name HG1 )) (( segid " B" and resid 44 and name HD2 )) OR { 172} (( segid " B" and resid 40 and name HG1 )) (( segid " B" and resid 41 and name HG12)) ASSI { 173} (( segid " B" and resid 36 and name HG2 )) (( segid " B" and resid 35 and name HB2 )) 6.000 4.500 0.000 peak 173 spectrum 1 weight 0.10000E+01 volume 0.12388E-02 ppm1 2.544 ppm2 1.696 CV 1 OR { 173} (( segid " B" and resid 40 and name HG2 )) (( segid " B" and resid 41 and name HG12)) ASSI { 174} (( segid " B" and resid 40 and name HB2 )) (( segid " B" and resid 41 and name HG12)) 6.000 4.500 0.000 peak 174 spectrum 1 weight 0.10000E+01 volume 0.85323E-03 ppm1 2.289 ppm2 1.708 CV 1 OR { 174} (( segid " B" and resid 36 and name HB2 )) (( segid " B" and resid 35 and name HB2 )) OR { 174} (( segid " B" and resid 36 and name HB1 )) (( segid " B" and resid 35 and name HB2 )) OR { 174} (( segid " B" and resid 40 and name HB2 )) (( segid " B" and resid 44 and name HD1 )) ASSI { 175} (( segid " B" and resid 35 and name HG )) (( segid " B" and resid 35 and name HB2 )) 6.000 4.500 0.000 peak 175 spectrum 1 weight 0.10000E+01 volume 0.22437E-02 ppm1 1.338 ppm2 1.698 CV 1 ASSI { 176} ( segid " B" and resid 35 and name HD1%) (( segid " B" and resid 35 and name HB2 )) 6.000 4.500 0.000 peak 176 spectrum 1 weight 0.10000E+01 volume 0.57551E-02 ppm1 0.837 ppm2 1.706 CV 1 ASSI { 177} ( segid " B" and resid 35 and name HD2%) (( segid " B" and resid 35 and name HB2 )) 6.000 4.500 0.000 peak 177 spectrum 1 weight 0.10000E+01 volume 0.44442E-02 ppm1 0.773 ppm2 1.698 CV 1 ASSI { 183} ( segid " B" and resid 27 and name HG1%) (( segid " B" and resid 32 and name HG2 )) 6.000 4.500 0.000 peak 183 spectrum 1 weight 0.10000E+01 volume 0.96420E-03 ppm1 0.897 ppm2 1.676 CV 1 ASSI { 184} ( segid " B" and resid 41 and name HD1%) (( segid " B" and resid 41 and name HG12)) 6.000 4.500 0.000 peak 184 spectrum 1 weight 0.10000E+01 volume 0.13335E-02 ppm1 0.983 ppm2 1.680 CV 1 ASSI { 185} (( segid " B" and resid 35 and name HA )) (( segid " B" and resid 37 and name HG1 )) 6.000 4.500 0.000 peak 185 spectrum 1 weight 0.10000E+01 volume 0.92157E-03 ppm1 3.966 ppm2 1.657 CV 1 ASSI { 186} (( segid " B" and resid 37 and name HD2 )) (( segid " B" and resid 37 and name HG1 )) 6.000 4.500 0.000 peak 186 spectrum 1 weight 0.10000E+01 volume 0.10244E-02 ppm1 3.470 ppm2 1.649 CV 1 ASSI { 187} (( segid " B" and resid 36 and name HG1 )) (( segid " B" and resid 37 and name HG1 )) 6.000 4.500 0.000 peak 187 spectrum 1 weight 0.10000E+01 volume 0.97674E-03 ppm1 2.496 ppm2 1.661 CV 1 OR { 187} (( segid " B" and resid 36 and name HG1 )) (( segid " B" and resid 32 and name HG2 )) ASSI { 188} (( segid " B" and resid 32 and name HG1 )) (( segid " B" and resid 32 and name HG2 )) 6.000 4.500 0.000 peak 188 spectrum 1 weight 0.10000E+01 volume 0.13899E-01 ppm1 1.471 ppm2 1.670 CV 1 ASSI { 189} (( segid " B" and resid 38 and name HA )) ( segid " B" and resid 38 and name HB% ) 6.000 4.500 0.000 peak 189 spectrum 1 weight 0.10000E+01 volume 0.16795E-02 ppm1 3.973 ppm2 1.615 CV 1 ASSI { 191} (( segid " B" and resid 44 and name HE1 )) (( segid " B" and resid 44 and name HG1 )) 6.000 4.500 0.000 peak 191 spectrum 1 weight 0.10000E+01 volume 0.10413E-01 ppm1 3.003 ppm2 1.516 CV 1 OR { 191} (( segid " B" and resid 44 and name HE2 )) (( segid " B" and resid 44 and name HG1 )) ASSI { 192} (( segid " B" and resid 44 and name HB1 )) (( segid " B" and resid 44 and name HG1 )) 6.000 4.500 0.000 peak 192 spectrum 1 weight 0.10000E+01 volume 0.62942E-02 ppm1 1.958 ppm2 1.511 CV 1 OR { 192} (( segid " B" and resid 44 and name HB2 )) (( segid " B" and resid 44 and name HG1 )) ASSI { 193} (( segid " B" and resid 44 and name HD1 )) (( segid " B" and resid 44 and name HG1 )) 6.000 4.500 0.000 peak 193 spectrum 1 weight 0.10000E+01 volume 0.25910E-01 ppm1 1.729 ppm2 1.526 CV 1 OR { 193} (( segid " B" and resid 44 and name HD2 )) (( segid " B" and resid 44 and name HG1 )) ASSI { 194} (( segid " B" and resid 45 and name HA )) (( segid " B" and resid 45 and name HG12)) 6.000 4.500 0.000 peak 194 spectrum 1 weight 0.10000E+01 volume 0.15115E-02 ppm1 4.103 ppm2 1.470 CV 1 ASSI { 196} (( segid " B" and resid 40 and name HA )) ( segid " B" and resid 43 and name HB% ) 6.000 4.500 0.000 peak 196 spectrum 1 weight 0.10000E+01 volume 0.27315E-02 ppm1 4.145 ppm2 1.478 CV 1 ASSI { 198} (( segid " B" and resid 34 and name HA )) (( segid " B" and resid 35 and name HB1 )) 6.000 4.500 0.000 peak 198 spectrum 1 weight 0.10000E+01 volume 0.16062E-02 ppm1 3.936 ppm2 1.469 CV 1 ASSI { 200} (( segid " B" and resid 39 and name HD1 )) (( segid " B" and resid 35 and name HB1 )) 6.000 4.500 0.000 peak 200 spectrum 1 weight 0.10000E+01 volume 0.86326E-03 ppm1 3.189 ppm2 1.471 CV 1 OR { 200} (( segid " B" and resid 39 and name HD2 )) ( segid " B" and resid 42 and name HB% ) OR { 200} (( segid " B" and resid 39 and name HD2 )) (( segid " B" and resid 35 and name HB1 )) OR { 200} (( segid " B" and resid 39 and name HD1 )) ( segid " B" and resid 42 and name HB% ) ASSI { 202} (( segid " B" and resid 45 and name HB )) (( segid " B" and resid 45 and name HG12)) 6.000 4.500 0.000 peak 202 spectrum 1 weight 0.10000E+01 volume 0.13817E-02 ppm1 1.904 ppm2 1.475 CV 1 ASSI { 205} (( segid " B" and resid 36 and name HG1 )) (( segid " B" and resid 35 and name HB1 )) 6.000 4.500 0.000 peak 205 spectrum 1 weight 0.10000E+01 volume 0.71656E-03 ppm1 2.484 ppm2 1.481 CV 1 ASSI { 206} (( segid " B" and resid 40 and name HB1 )) ( segid " B" and resid 43 and name HB% ) 6.000 4.500 0.000 peak 206 spectrum 1 weight 0.10000E+01 volume 0.88709E-03 ppm1 2.200 ppm2 1.477 CV 1 OR { 206} (( segid " B" and resid 40 and name HB1 )) ( segid " B" and resid 42 and name HB% ) ASSI { 207} (( segid " B" and resid 35 and name HG )) (( segid " B" and resid 35 and name HB1 )) 6.000 4.500 0.000 peak 207 spectrum 1 weight 0.10000E+01 volume 0.31477E-02 ppm1 1.335 ppm2 1.465 CV 1 ASSI { 209} ( segid " B" and resid 35 and name HD1%) (( segid " B" and resid 35 and name HB1 )) 6.000 4.500 0.000 peak 209 spectrum 1 weight 0.10000E+01 volume 0.67770E-02 ppm1 0.836 ppm2 1.471 CV 1 ASSI { 210} ( segid " B" and resid 35 and name HD2%) (( segid " B" and resid 35 and name HB1 )) 6.000 4.500 0.000 peak 210 spectrum 1 weight 0.10000E+01 volume 0.67393E-02 ppm1 0.773 ppm2 1.472 CV 1 ASSI { 211} ( segid " B" and resid 27 and name HG1%) (( segid " B" and resid 32 and name HG1 )) 6.000 4.500 0.000 peak 211 spectrum 1 weight 0.10000E+01 volume 0.98300E-03 ppm1 0.891 ppm2 1.464 CV 1 ASSI { 212} (( segid " B" and resid 45 and name HG11)) (( segid " B" and resid 45 and name HG12)) 6.000 4.500 0.000 peak 212 spectrum 1 weight 0.10000E+01 volume 0.13529E-02 ppm1 1.098 ppm2 1.456 CV 1 ASSI { 216} ( segid " B" and resid 41 and name HD1%) (( segid " B" and resid 41 and name HG11)) 6.000 4.500 0.000 peak 216 spectrum 1 weight 0.10000E+01 volume 0.13015E-02 ppm1 0.980 ppm2 1.374 CV 1 ASSI { 218} (( segid " B" and resid 32 and name HA )) (( segid " B" and resid 35 and name HG )) 6.000 4.500 0.000 peak 218 spectrum 1 weight 0.10000E+01 volume 0.85449E-03 ppm1 3.832 ppm2 1.336 CV 1 ASSI { 220} (( segid " B" and resid 39 and name HD2 )) (( segid " B" and resid 35 and name HG )) 6.000 4.500 0.000 peak 220 spectrum 1 weight 0.10000E+01 volume 0.84069E-03 ppm1 3.193 ppm2 1.325 CV 1 OR { 220} (( segid " B" and resid 39 and name HD1 )) (( segid " B" and resid 35 and name HG )) ASSI { 222} ( segid " B" and resid 35 and name HD1%) (( segid " B" and resid 35 and name HG )) 6.000 4.500 0.000 peak 222 spectrum 1 weight 0.10000E+01 volume 0.72722E-02 ppm1 0.836 ppm2 1.337 CV 1 ASSI { 223} ( segid " B" and resid 35 and name HD2%) (( segid " B" and resid 35 and name HG )) 6.000 4.500 0.000 peak 223 spectrum 1 weight 0.10000E+01 volume 0.79681E-02 ppm1 0.773 ppm2 1.336 CV 1 ASSI { 224} (( segid " B" and resid 31 and name HA )) ( segid " B" and resid 34 and name HB% ) 6.000 4.500 0.000 peak 224 spectrum 1 weight 0.10000E+01 volume 0.65701E-03 ppm1 4.233 ppm2 1.301 CV 1 ASSI { 225} (( segid " B" and resid 34 and name HA )) ( segid " B" and resid 34 and name HB% ) 6.000 4.500 0.000 peak 225 spectrum 1 weight 0.10000E+01 volume 0.12106E-02 ppm1 3.924 ppm2 1.292 CV 1 ASSI { 230} (( segid " B" and resid 33 and name HB2 )) ( segid " B" and resid 30 and name HB% ) 6.000 4.500 0.000 peak 230 spectrum 1 weight 0.10000E+01 volume 0.69086E-03 ppm1 2.760 ppm2 1.194 CV 1 ASSI { 231} (( segid " B" and resid 44 and name HE2 )) (( segid " B" and resid 45 and name HG11)) 6.000 4.500 0.000 peak 231 spectrum 1 weight 0.10000E+01 volume 0.11053E-02 ppm1 3.006 ppm2 1.113 CV 1 OR { 231} (( segid " B" and resid 44 and name HE1 )) (( segid " B" and resid 45 and name HG11)) ASSI { 232} (( segid " B" and resid 45 and name HA )) (( segid " B" and resid 45 and name HG11)) 6.000 4.500 0.000 peak 232 spectrum 1 weight 0.10000E+01 volume 0.14990E-02 ppm1 4.104 ppm2 1.088 CV 1 ASSI { 233} (( segid " B" and resid 44 and name HD2 )) (( segid " B" and resid 45 and name HG11)) 6.000 4.500 0.000 peak 233 spectrum 1 weight 0.10000E+01 volume 0.11592E-02 ppm1 1.730 ppm2 1.098 CV 1 OR { 233} (( segid " B" and resid 44 and name HD1 )) (( segid " B" and resid 45 and name HG11)) ASSI { 235} (( segid " B" and resid 45 and name HB )) (( segid " B" and resid 45 and name HG11)) 6.000 4.500 0.000 peak 235 spectrum 1 weight 0.10000E+01 volume 0.10131E-02 ppm1 1.898 ppm2 1.079 CV 1 ASSI { 236} (( segid " B" and resid 38 and name HA )) ( segid " B" and resid 41 and name HD1%) 6.000 4.500 0.000 peak 236 spectrum 1 weight 0.10000E+01 volume 0.14833E-02 ppm1 3.971 ppm2 0.975 CV 1 ASSI { 239} (( segid " B" and resid 41 and name HG11)) ( segid " B" and resid 41 and name HG2%) 6.000 4.500 0.000 peak 239 spectrum 1 weight 0.10000E+01 volume 0.17547E-02 ppm1 1.367 ppm2 0.962 CV 1 ASSI { 240} (( segid " B" and resid 27 and name HA )) ( segid " B" and resid 27 and name HG1%) 6.000 4.500 0.000 peak 240 spectrum 1 weight 0.10000E+01 volume 0.10056E-01 ppm1 3.991 ppm2 0.886 CV 1 OR { 240} (( segid " B" and resid 27 and name HA )) ( segid " B" and resid 27 and name HG2%) ASSI { 241} (( segid " B" and resid 28 and name HB1 )) ( segid " B" and resid 27 and name HG1%) 6.000 4.500 0.000 peak 241 spectrum 1 weight 0.10000E+01 volume 0.83693E-03 ppm1 2.899 ppm2 0.892 CV 1 OR { 241} (( segid " B" and resid 28 and name HB2 )) ( segid " B" and resid 27 and name HG1%) OR { 241} (( segid " B" and resid 28 and name HB1 )) ( segid " B" and resid 27 and name HG2%) ASSI { 243} (( segid " B" and resid 27 and name HB )) ( segid " B" and resid 27 and name HG1%) 6.000 4.500 0.000 peak 243 spectrum 1 weight 0.10000E+01 volume 0.15209E-01 ppm1 2.020 ppm2 0.887 CV 1 OR { 243} (( segid " B" and resid 27 and name HB )) ( segid " B" and resid 27 and name HG2%) ASSI { 245} (( segid " B" and resid 34 and name HA )) ( segid " B" and resid 35 and name HD1%) 6.000 4.500 0.000 peak 245 spectrum 1 weight 0.10000E+01 volume 0.11730E-02 ppm1 3.924 ppm2 0.846 CV 1 ASSI { 246} (( segid " B" and resid 39 and name HD1 )) ( segid " B" and resid 35 and name HD1%) 6.000 4.500 0.000 peak 246 spectrum 1 weight 0.10000E+01 volume 0.11040E-02 ppm1 3.187 ppm2 0.840 CV 1 OR { 246} (( segid " B" and resid 39 and name HD2 )) ( segid " B" and resid 35 and name HD1%) ASSI { 247} (( segid " B" and resid 36 and name HG2 )) ( segid " B" and resid 35 and name HD1%) 6.000 4.500 0.000 peak 247 spectrum 1 weight 0.10000E+01 volume 0.81562E-03 ppm1 2.540 ppm2 0.843 CV 1 ASSI { 248} (( segid " B" and resid 32 and name HB2 )) ( segid " B" and resid 35 and name HD1%) 6.000 4.500 0.000 peak 248 spectrum 1 weight 0.10000E+01 volume 0.80057E-03 ppm1 1.902 ppm2 0.840 CV 1 OR { 248} (( segid " B" and resid 32 and name HB1 )) ( segid " B" and resid 35 and name HD1%) ASSI { 249} (( segid " B" and resid 32 and name HG1 )) ( segid " B" and resid 35 and name HD1%) 6.000 4.500 0.000 peak 249 spectrum 1 weight 0.10000E+01 volume 0.97799E-03 ppm1 1.475 ppm2 0.839 CV 1 ASSI { 252} (( segid " B" and resid 32 and name HD2 )) ( segid " B" and resid 35 and name HD1%) 6.000 4.500 0.000 peak 252 spectrum 1 weight 0.10000E+01 volume 0.23221E-02 ppm1 1.733 ppm2 0.825 CV 1 OR { 252} (( segid " B" and resid 32 and name HD1 )) ( segid " B" and resid 35 and name HD1%) ASSI { 255} (( segid " B" and resid 39 and name HD2 )) ( segid " B" and resid 35 and name HD2%) 6.000 4.500 0.000 peak 255 spectrum 1 weight 0.10000E+01 volume 0.10570E-02 ppm1 3.182 ppm2 0.798 CV 1 OR { 255} (( segid " B" and resid 39 and name HD1 )) ( segid " B" and resid 35 and name HD2%) ASSI { 257} (( segid " B" and resid 45 and name HG12)) ( segid " B" and resid 45 and name HG2%) 6.000 4.500 0.000 peak 257 spectrum 1 weight 0.10000E+01 volume 0.73537E-03 ppm1 1.460 ppm2 0.783 CV 1 ASSI { 259} (( segid " B" and resid 28 and name HA )) (( segid " B" and resid 27 and name HA )) 6.000 4.500 0.000 peak 259 spectrum 1 weight 0.10000E+01 volume 0.10952E-02 ppm1 4.638 ppm2 3.992 CV 1 ASSI { 260} (( segid " B" and resid 28 and name HA )) (( segid " B" and resid 31 and name HB2 )) 6.000 4.500 0.000 peak 260 spectrum 1 weight 0.10000E+01 volume 0.15886E-02 ppm1 4.646 ppm2 3.225 CV 1 OR { 260} (( segid " B" and resid 28 and name HA )) (( segid " B" and resid 31 and name HB1 )) ASSI { 261} (( segid " B" and resid 28 and name HA )) (( segid " B" and resid 28 and name HB1 )) 6.000 4.500 0.000 peak 261 spectrum 1 weight 0.10000E+01 volume 0.10557E-01 ppm1 4.652 ppm2 2.898 CV 1 OR { 261} (( segid " B" and resid 28 and name HA )) (( segid " B" and resid 28 and name HB2 )) ASSI { 263} (( segid " B" and resid 28 and name HA )) (( segid " B" and resid 32 and name HG1 )) 6.000 4.500 0.000 peak 263 spectrum 1 weight 0.10000E+01 volume 0.75105E-03 ppm1 4.646 ppm2 1.451 CV 1 ASSI { 264} (( segid " B" and resid 28 and name HA )) ( segid " B" and resid 27 and name HG1%) 6.000 4.500 0.000 peak 264 spectrum 1 weight 0.10000E+01 volume 0.11053E-02 ppm1 4.648 ppm2 0.895 CV 1 ASSI { 266} (( segid " B" and resid 29 and name HA )) (( segid " B" and resid 32 and name HG1 )) 6.000 4.500 0.000 peak 266 spectrum 1 weight 0.10000E+01 volume 0.11610E-02 ppm1 4.481 ppm2 1.481 CV 1 ASSI { 267} (( segid " B" and resid 29 and name HA )) ( segid " B" and resid 27 and name HG1%) 6.000 4.500 0.000 peak 267 spectrum 1 weight 0.10000E+01 volume 0.78427E-03 ppm1 4.480 ppm2 0.882 CV 1 OR { 267} (( segid " B" and resid 29 and name HA )) ( segid " B" and resid 27 and name HG2%) ASSI { 268} (( segid " B" and resid 29 and name HA )) (( segid " B" and resid 30 and name HA )) 6.000 4.500 0.000 peak 268 spectrum 1 weight 0.10000E+01 volume 0.90339E-03 ppm1 4.474 ppm2 4.091 CV 1 OR { 268} (( segid " B" and resid 33 and name HA )) (( segid " B" and resid 36 and name HA )) ASSI { 274} (( segid " B" and resid 33 and name HA )) (( segid " B" and resid 33 and name HB2 )) 6.000 4.500 0.000 peak 274 spectrum 1 weight 0.10000E+01 volume 0.88771E-02 ppm1 4.481 ppm2 2.746 CV 1 ASSI { 275} (( segid " B" and resid 33 and name HA )) (( segid " B" and resid 33 and name HB1 )) 6.000 4.500 0.000 peak 275 spectrum 1 weight 0.10000E+01 volume 0.51783E-02 ppm1 4.469 ppm2 2.809 CV 1 ASSI { 283} (( segid " B" and resid 40 and name HA )) (( segid " B" and resid 40 and name HB2 )) 6.000 4.500 0.000 peak 283 spectrum 1 weight 0.10000E+01 volume 0.43063E-02 ppm1 4.148 ppm2 2.250 CV 1 ASSI { 284} (( segid " B" and resid 41 and name HG12)) ( segid " B" and resid 41 and name HG2%) 6.000 4.500 0.000 peak 284 spectrum 1 weight 0.10000E+01 volume 0.76923E-03 ppm1 1.725 ppm2 0.961 CV 1 ASSI { 285} (( segid " B" and resid 43 and name HA )) ( segid " B" and resid 43 and name HB% ) 6.000 4.500 0.000 peak 285 spectrum 1 weight 0.10000E+01 volume 0.13842E-01 ppm1 4.173 ppm2 1.477 CV 1 ASSI { 290} ( segid " B" and resid 35 and name HD1%) ( segid " B" and resid 31 and name HD% ) 6.000 4.500 0.000 peak 290 spectrum 1 weight 0.10000E+01 volume 0.16287E-02 ppm1 0.834 ppm2 7.223 CV 1 ASSI { 292} ( segid " B" and resid 35 and name HD2%) ( segid " B" and resid 31 and name HD% ) 6.000 4.500 0.000 peak 292 spectrum 1 weight 0.10000E+01 volume 0.32988E-02 ppm1 0.773 ppm2 7.208 CV 1 ASSI { 295} (( segid " B" and resid 36 and name HG2 )) (( segid " B" and resid 36 and name HB2 )) 6.000 4.500 0.000 peak 295 spectrum 1 weight 0.10000E+01 volume 0.14689E-01 ppm1 2.545 ppm2 2.275 CV 1 ASSI { 296} (( segid " B" and resid 36 and name HG1 )) (( segid " B" and resid 36 and name HB1 )) 6.000 4.500 0.000 peak 296 spectrum 1 weight 0.10000E+01 volume 0.11679E-01 ppm1 2.486 ppm2 2.281 CV 1 ASSI { 300} (( segid " B" and resid 39 and name HD1 )) (( segid " B" and resid 39 and name HB2 )) 6.000 4.500 0.000 peak 300 spectrum 1 weight 0.10000E+01 volume 0.85511E-02 ppm1 3.193 ppm2 1.948 CV 1 ASSI { 301} (( segid " B" and resid 44 and name HB2 )) (( segid " B" and resid 44 and name HG2 )) 6.000 4.500 0.000 peak 301 spectrum 1 weight 0.10000E+01 volume 0.55482E-02 ppm1 1.957 ppm2 1.552 CV 1 OR { 301} (( segid " B" and resid 44 and name HB1 )) (( segid " B" and resid 44 and name HG2 )) ASSI { 307} (( segid " B" and resid 32 and name HD1 )) (( segid " B" and resid 32 and name HE1 )) 6.000 4.500 0.000 peak 307 spectrum 1 weight 0.10000E+01 volume 0.16018E-01 ppm1 1.732 ppm2 3.007 CV 1 OR { 307} (( segid " B" and resid 32 and name HD2 )) (( segid " B" and resid 32 and name HE2 )) OR { 307} (( segid " B" and resid 32 and name HD2 )) (( segid " B" and resid 32 and name HE1 )) ASSI { 308} (( segid " B" and resid 44 and name HD1 )) (( segid " B" and resid 44 and name HB1 )) 6.000 4.500 0.000 peak 308 spectrum 1 weight 0.10000E+01 volume 0.13378E-01 ppm1 1.731 ppm2 1.941 CV 1 OR { 308} (( segid " B" and resid 44 and name HD2 )) (( segid " B" and resid 44 and name HB2 )) OR { 308} (( segid " B" and resid 44 and name HD2 )) (( segid " B" and resid 44 and name HB1 )) OR { 308} (( segid " B" and resid 44 and name HD1 )) (( segid " B" and resid 44 and name HB2 )) ASSI { 309} (( segid " B" and resid 44 and name HD2 )) (( segid " B" and resid 44 and name HG2 )) 6.000 4.500 0.000 peak 309 spectrum 1 weight 0.10000E+01 volume 0.25910E-01 ppm1 1.729 ppm2 1.526 CV 1 OR { 309} (( segid " B" and resid 44 and name HD1 )) (( segid " B" and resid 44 and name HG2 )) ASSI { 1} (( segid " A" and resid 217 and name HN )) (( segid " A" and resid 221 and name HA )) 6.000 4.500 0.000 peak 1 spectrum 1 weight 0.10000E+01 volume 0.43451E-03 ppm1 8.884 ppm2 4.757 CV 1 OR { 1} (( segid " A" and resid 217 and name HN )) (( segid " A" and resid 275 and name HA )) ASSI { 2} (( segid " A" and resid 217 and name HN )) (( segid " A" and resid 275 and name HG )) 6.000 4.500 0.000 peak 2 spectrum 1 weight 0.10000E+01 volume 0.46580E-03 ppm1 8.891 ppm2 1.579 CV 1 ASSI { 3} (( segid " A" and resid 139 and name HN )) (( segid " A" and resid 161 and name HN )) 6.000 4.500 0.000 peak 3 spectrum 1 weight 0.10000E+01 volume 0.57299E-03 ppm1 9.489 ppm2 8.725 CV 1 OR { 3} (( segid " A" and resid 139 and name HN )) (( segid " A" and resid 138 and name HN )) ASSI { 4} (( segid " A" and resid 217 and name HN )) (( segid " A" and resid 218 and name HN )) 6.000 4.500 0.000 peak 4 spectrum 1 weight 0.10000E+01 volume 0.65730E-03 ppm1 8.897 ppm2 8.064 CV 1 ASSI { 5} (( segid " A" and resid 217 and name HN )) (( segid " A" and resid 217 and name HA )) 6.000 4.500 0.000 peak 5 spectrum 1 weight 0.10000E+01 volume 0.10754E-02 ppm1 8.890 ppm2 3.864 CV 1 ASSI { 6} (( segid " A" and resid 217 and name HN )) (( segid " A" and resid 216 and name HA )) 6.000 4.500 0.000 peak 6 spectrum 1 weight 0.10000E+01 volume 0.23843E-02 ppm1 8.890 ppm2 3.431 CV 1 ASSI { 7} (( segid " A" and resid 217 and name HN )) (( segid " A" and resid 217 and name HB2 )) 6.000 4.500 0.000 peak 7 spectrum 1 weight 0.10000E+01 volume 0.16621E-02 ppm1 8.890 ppm2 3.040 CV 1 ASSI { 8} (( segid " A" and resid 217 and name HN )) (( segid " A" and resid 217 and name HB1 )) 6.000 4.500 0.000 peak 8 spectrum 1 weight 0.10000E+01 volume 0.15427E-02 ppm1 8.889 ppm2 2.764 CV 1 ASSI { 9} (( segid " A" and resid 217 and name HN )) ( segid " A" and resid 220 and name HD2%) 6.000 4.500 0.000 peak 9 spectrum 1 weight 0.10000E+01 volume 0.20719E-02 ppm1 8.890 ppm2 0.880 CV 1 ASSI { 10} (( segid " A" and resid 217 and name HN )) ( segid " A" and resid 216 and name HG1%) 6.000 4.500 0.000 peak 10 spectrum 1 weight 0.10000E+01 volume 0.17510E-02 ppm1 8.890 ppm2 0.645 CV 1 ASSI { 11} (( segid " A" and resid 217 and name HN )) ( segid " A" and resid 216 and name HG2%) 6.000 4.500 0.000 peak 11 spectrum 1 weight 0.10000E+01 volume 0.77137E-03 ppm1 8.890 ppm2 0.351 CV 1 ASSI { 12} (( segid " A" and resid 139 and name HN )) (( segid " A" and resid 140 and name HN )) 6.000 4.500 0.000 peak 12 spectrum 1 weight 0.10000E+01 volume 0.19525E-02 ppm1 9.483 ppm2 7.694 CV 1 ASSI { 13} (( segid " A" and resid 139 and name HN )) ( segid " A" and resid 160 and name HD% ) 6.000 4.500 0.000 peak 13 spectrum 1 weight 0.10000E+01 volume 0.41048E-03 ppm1 9.481 ppm2 6.781 CV 1 ASSI { 14} (( segid " A" and resid 139 and name HN )) (( segid " A" and resid 160 and name HA )) 6.000 4.500 0.000 peak 14 spectrum 1 weight 0.10000E+01 volume 0.14455E-02 ppm1 9.486 ppm2 5.070 CV 1 ASSI { 15} (( segid " A" and resid 139 and name HN )) (( segid " A" and resid 139 and name HA )) 6.000 4.500 0.000 peak 15 spectrum 1 weight 0.10000E+01 volume 0.12089E-02 ppm1 9.485 ppm2 4.289 CV 1 ASSI { 16} (( segid " A" and resid 139 and name HN )) (( segid " A" and resid 138 and name HA )) 6.000 4.500 0.000 peak 16 spectrum 1 weight 0.10000E+01 volume 0.25499E-02 ppm1 9.484 ppm2 3.725 CV 1 ASSI { 17} (( segid " A" and resid 139 and name HN )) (( segid " A" and resid 159 and name HG1 )) 6.000 4.500 0.000 peak 17 spectrum 1 weight 0.10000E+01 volume 0.51997E-03 ppm1 9.486 ppm2 1.996 CV 1 OR { 17} (( segid " A" and resid 139 and name HN )) (( segid " A" and resid 159 and name HB2 )) OR { 17} (( segid " A" and resid 139 and name HN )) (( segid " A" and resid 159 and name HG2 )) ASSI { 18} (( segid " A" and resid 139 and name HN )) (( segid " A" and resid 139 and name HB2 )) 6.000 4.500 0.000 peak 18 spectrum 1 weight 0.10000E+01 volume 0.14195E-02 ppm1 9.485 ppm2 1.506 CV 1 ASSI { 19} (( segid " A" and resid 139 and name HN )) (( segid " A" and resid 139 and name HB1 )) 6.000 4.500 0.000 peak 19 spectrum 1 weight 0.10000E+01 volume 0.16576E-02 ppm1 9.484 ppm2 1.384 CV 1 ASSI { 20} (( segid " A" and resid 139 and name HN )) ( segid " A" and resid 138 and name HG2%) 6.000 4.500 0.000 peak 20 spectrum 1 weight 0.10000E+01 volume 0.14020E-02 ppm1 9.484 ppm2 0.512 CV 1 ASSI { 21} (( segid " A" and resid 133 and name HN )) (( segid " A" and resid 132 and name HN )) 6.000 4.500 0.000 peak 21 spectrum 1 weight 0.10000E+01 volume 0.24518E-02 ppm1 8.620 ppm2 8.076 CV 1 ASSI { 22} (( segid " A" and resid 133 and name HN )) ( segid " A" and resid 132 and name HD% ) 6.000 4.500 0.000 peak 22 spectrum 1 weight 0.10000E+01 volume 0.68782E-03 ppm1 8.617 ppm2 7.925 CV 1 OR { 22} (( segid " A" and resid 133 and name HN )) (( segid " A" and resid 130 and name HN )) ASSI { 23} (( segid " A" and resid 133 and name HN )) (( segid " A" and resid 131 and name HN )) 6.000 4.500 0.000 peak 23 spectrum 1 weight 0.10000E+01 volume 0.63937E-03 ppm1 8.618 ppm2 7.713 CV 1 ASSI { 24} (( segid " A" and resid 133 and name HN )) (( segid " A" and resid 133 and name HA )) 6.000 4.500 0.000 peak 24 spectrum 1 weight 0.10000E+01 volume 0.24640E-02 ppm1 8.621 ppm2 4.694 CV 1 ASSI { 25} (( segid " A" and resid 133 and name HN )) (( segid " A" and resid 130 and name HA )) 6.000 4.500 0.000 peak 25 spectrum 1 weight 0.10000E+01 volume 0.84194E-03 ppm1 8.620 ppm2 4.008 CV 1 ASSI { 26} (( segid " A" and resid 133 and name HN )) (( segid " A" and resid 134 and name HD1 )) 6.000 4.500 0.000 peak 26 spectrum 1 weight 0.10000E+01 volume 0.19338E-02 ppm1 8.621 ppm2 3.684 CV 1 ASSI { 27} (( segid " A" and resid 133 and name HN )) (( segid " A" and resid 132 and name HB2 )) 6.000 4.500 0.000 peak 27 spectrum 1 weight 0.10000E+01 volume 0.45397E-03 ppm1 8.621 ppm2 3.512 CV 1 ASSI { 28} (( segid " A" and resid 133 and name HN )) (( segid " A" and resid 134 and name HD2 )) 6.000 4.500 0.000 peak 28 spectrum 1 weight 0.10000E+01 volume 0.11841E-02 ppm1 8.623 ppm2 3.050 CV 1 ASSI { 29} (( segid " A" and resid 133 and name HN )) (( segid " A" and resid 132 and name HB1 )) 6.000 4.500 0.000 peak 29 spectrum 1 weight 0.10000E+01 volume 0.70308E-03 ppm1 8.615 ppm2 2.824 CV 1 ASSI { 30} (( segid " A" and resid 133 and name HN )) ( segid " A" and resid 133 and name HB% ) 6.000 4.500 0.000 peak 30 spectrum 1 weight 0.10000E+01 volume 0.63632E-02 ppm1 8.620 ppm2 1.588 CV 1 ASSI { 31} (( segid " A" and resid 133 and name HN )) ( segid " A" and resid 131 and name HB% ) 6.000 4.500 0.000 peak 31 spectrum 1 weight 0.10000E+01 volume 0.74962E-03 ppm1 8.623 ppm2 1.431 CV 1 ASSI { 32} (( segid " A" and resid 133 and name HN )) ( segid " A" and resid 138 and name HD1%) 6.000 4.500 0.000 peak 32 spectrum 1 weight 0.10000E+01 volume 0.16080E-02 ppm1 8.622 ppm2 0.739 CV 1 ASSI { 33} (( segid " A" and resid 145 and name HE1 )) (( segid " A" and resid 145 and name HZ2 )) 6.000 4.500 0.000 peak 33 spectrum 1 weight 0.10000E+01 volume 0.28173E-02 ppm1 10.088 ppm2 7.417 CV 1 ASSI { 34} (( segid " A" and resid 145 and name HE1 )) (( segid " A" and resid 145 and name HD1 )) 6.000 4.500 0.000 peak 34 spectrum 1 weight 0.10000E+01 volume 0.55468E-02 ppm1 10.088 ppm2 7.096 CV 1 ASSI { 35} (( segid " A" and resid 145 and name HE1 )) (( segid " A" and resid 125 and name HB1 )) 6.000 4.500 0.000 peak 35 spectrum 1 weight 0.10000E+01 volume 0.44901E-03 ppm1 10.089 ppm2 2.171 CV 1 OR { 35} (( segid " A" and resid 145 and name HE1 )) (( segid " A" and resid 125 and name HG2 )) ASSI { 36} (( segid " A" and resid 145 and name HE1 )) (( segid " A" and resid 143 and name HB2 )) 6.000 4.500 0.000 peak 36 spectrum 1 weight 0.10000E+01 volume 0.82020E-03 ppm1 10.088 ppm2 1.630 CV 1 OR { 36} (( segid " A" and resid 145 and name HE1 )) (( segid " A" and resid 143 and name HB1 )) ASSI { 37} (( segid " A" and resid 275 and name HN )) (( segid " A" and resid 280 and name HN )) 6.000 4.500 0.000 peak 37 spectrum 1 weight 0.10000E+01 volume 0.60809E-03 ppm1 8.462 ppm2 9.220 CV 1 ASSI { 38} (( segid " A" and resid 275 and name HN )) ( segid " A" and resid 279 and name HD% ) 6.000 4.500 0.000 peak 38 spectrum 1 weight 0.10000E+01 volume 0.48106E-03 ppm1 8.461 ppm2 6.945 CV 1 ASSI { 39} (( segid " A" and resid 275 and name HN )) (( segid " A" and resid 278 and name HG1 )) 6.000 4.500 0.000 peak 39 spectrum 1 weight 0.10000E+01 volume 0.13543E-02 ppm1 8.464 ppm2 2.201 CV 1 OR { 39} (( segid " A" and resid 275 and name HN )) (( segid " A" and resid 274 and name HB1 )) ASSI { 40} (( segid " A" and resid 275 and name HN )) (( segid " A" and resid 275 and name HG )) 6.000 4.500 0.000 peak 40 spectrum 1 weight 0.10000E+01 volume 0.54133E-03 ppm1 8.466 ppm2 1.558 CV 1 ASSI { 41} (( segid " A" and resid 275 and name HN )) (( segid " A" and resid 274 and name HN )) 6.000 4.500 0.000 peak 41 spectrum 1 weight 0.10000E+01 volume 0.42574E-03 ppm1 8.465 ppm2 7.891 CV 1 ASSI { 42} (( segid " A" and resid 275 and name HN )) (( segid " A" and resid 278 and name HN )) 6.000 4.500 0.000 peak 42 spectrum 1 weight 0.10000E+01 volume 0.11292E-02 ppm1 8.467 ppm2 7.098 CV 1 ASSI { 43} (( segid " A" and resid 275 and name HN )) (( segid " A" and resid 275 and name HA )) 6.000 4.500 0.000 peak 43 spectrum 1 weight 0.10000E+01 volume 0.26418E-02 ppm1 8.461 ppm2 4.763 CV 1 ASSI { 44} (( segid " A" and resid 275 and name HN )) (( segid " A" and resid 274 and name HA )) 6.000 4.500 0.000 peak 44 spectrum 1 weight 0.10000E+01 volume 0.53332E-02 ppm1 8.462 ppm2 4.290 CV 1 ASSI { 45} (( segid " A" and resid 275 and name HN )) (( segid " A" and resid 274 and name HB2 )) 6.000 4.500 0.000 peak 45 spectrum 1 weight 0.10000E+01 volume 0.74543E-03 ppm1 8.458 ppm2 2.439 CV 1 ASSI { 46} (( segid " A" and resid 275 and name HN )) (( segid " A" and resid 275 and name HB2 )) 6.000 4.500 0.000 peak 46 spectrum 1 weight 0.10000E+01 volume 0.13737E-02 ppm1 8.461 ppm2 2.069 CV 1 ASSI { 47} (( segid " A" and resid 275 and name HN )) (( segid " A" and resid 275 and name HB1 )) 6.000 4.500 0.000 peak 47 spectrum 1 weight 0.10000E+01 volume 0.12410E-02 ppm1 8.463 ppm2 1.427 CV 1 ASSI { 48} (( segid " A" and resid 275 and name HN )) ( segid " A" and resid 275 and name HD1%) 6.000 4.500 0.000 peak 48 spectrum 1 weight 0.10000E+01 volume 0.10769E-02 ppm1 8.462 ppm2 1.013 CV 1 ASSI { 49} (( segid " A" and resid 235 and name HN )) (( segid " A" and resid 234 and name HN )) 6.000 4.500 0.000 peak 49 spectrum 1 weight 0.10000E+01 volume 0.42116E-03 ppm1 9.269 ppm2 8.001 CV 1 ASSI { 50} (( segid " A" and resid 235 and name HN )) (( segid " A" and resid 257 and name HA )) 6.000 4.500 0.000 peak 50 spectrum 1 weight 0.10000E+01 volume 0.44367E-03 ppm1 9.261 ppm2 4.812 CV 1 ASSI { 51} (( segid " A" and resid 235 and name HN )) (( segid " A" and resid 234 and name HA )) 6.000 4.500 0.000 peak 51 spectrum 1 weight 0.10000E+01 volume 0.53828E-02 ppm1 9.258 ppm2 4.237 CV 1 ASSI { 52} (( segid " A" and resid 235 and name HN )) (( segid " A" and resid 235 and name HA )) 6.000 4.500 0.000 peak 52 spectrum 1 weight 0.10000E+01 volume 0.75725E-03 ppm1 9.261 ppm2 4.029 CV 1 ASSI { 53} (( segid " A" and resid 235 and name HN )) (( segid " A" and resid 230 and name HG1 )) 6.000 4.500 0.000 peak 53 spectrum 1 weight 0.10000E+01 volume 0.96669E-03 ppm1 9.259 ppm2 2.538 CV 1 OR { 53} (( segid " A" and resid 235 and name HN )) (( segid " A" and resid 230 and name HG2 )) ASSI { 54} (( segid " A" and resid 235 and name HN )) (( segid " A" and resid 235 and name HG12)) 6.000 4.500 0.000 peak 54 spectrum 1 weight 0.10000E+01 volume 0.80494E-03 ppm1 9.260 ppm2 1.892 CV 1 ASSI { 55} (( segid " A" and resid 235 and name HN )) (( segid " A" and resid 234 and name HB1 )) 6.000 4.500 0.000 peak 55 spectrum 1 weight 0.10000E+01 volume 0.21115E-02 ppm1 9.257 ppm2 1.738 CV 1 OR { 55} (( segid " A" and resid 235 and name HN )) (( segid " A" and resid 234 and name HB2 )) ASSI { 56} (( segid " A" and resid 235 and name HN )) (( segid " A" and resid 235 and name HB )) 6.000 4.500 0.000 peak 56 spectrum 1 weight 0.10000E+01 volume 0.27955E-02 ppm1 9.259 ppm2 1.578 CV 1 ASSI { 57} (( segid " A" and resid 235 and name HN )) (( segid " A" and resid 234 and name HG2 )) 6.000 4.500 0.000 peak 57 spectrum 1 weight 0.10000E+01 volume 0.94990E-03 ppm1 9.261 ppm2 1.475 CV 1 ASSI { 58} (( segid " A" and resid 235 and name HN )) (( segid " A" and resid 234 and name HG1 )) 6.000 4.500 0.000 peak 58 spectrum 1 weight 0.10000E+01 volume 0.65272E-03 ppm1 9.265 ppm2 1.357 CV 1 ASSI { 59} (( segid " A" and resid 235 and name HN )) ( segid " A" and resid 235 and name HG2%) 6.000 4.500 0.000 peak 59 spectrum 1 weight 0.10000E+01 volume 0.13653E-02 ppm1 9.257 ppm2 0.555 CV 1 ASSI { 60} (( segid " A" and resid 235 and name HN )) (( segid " A" and resid 235 and name HG11)) 6.000 4.500 0.000 peak 60 spectrum 1 weight 0.10000E+01 volume 0.59436E-03 ppm1 9.253 ppm2 0.001 CV 1 ASSI { 62} (( segid " A" and resid 142 and name HN )) (( segid " A" and resid 157 and name HN )) 6.000 4.500 0.000 peak 62 spectrum 1 weight 0.10000E+01 volume 0.96974E-03 ppm1 8.887 ppm2 8.419 CV 1 ASSI { 63} (( segid " A" and resid 236 and name HN )) (( segid " A" and resid 258 and name HN )) 6.000 4.500 0.000 peak 63 spectrum 1 weight 0.10000E+01 volume 0.48411E-03 ppm1 8.981 ppm2 8.273 CV 1 ASSI { 64} (( segid " A" and resid 236 and name HN )) (( segid " A" and resid 237 and name HN )) 6.000 4.500 0.000 peak 64 spectrum 1 weight 0.10000E+01 volume 0.22100E-02 ppm1 8.977 ppm2 7.422 CV 1 ASSI { 65} (( segid " A" and resid 236 and name HN )) ( segid " A" and resid 257 and name HD% ) 6.000 4.500 0.000 peak 65 spectrum 1 weight 0.10000E+01 volume 0.40171E-03 ppm1 8.980 ppm2 6.921 CV 1 ASSI { 66} (( segid " A" and resid 116 and name HN )) (( segid " A" and resid 157 and name HA )) 6.000 4.500 0.000 peak 66 spectrum 1 weight 0.10000E+01 volume 0.55545E-03 ppm1 8.362 ppm2 5.429 CV 1 ASSI { 67} (( segid " A" and resid 142 and name HN )) (( segid " A" and resid 142 and name HA )) 6.000 4.500 0.000 peak 67 spectrum 1 weight 0.10000E+01 volume 0.13783E-02 ppm1 8.886 ppm2 4.999 CV 1 ASSI { 68} (( segid " A" and resid 236 and name HN )) (( segid " A" and resid 257 and name HA )) 6.000 4.500 0.000 peak 68 spectrum 1 weight 0.10000E+01 volume 0.16904E-02 ppm1 8.979 ppm2 4.825 CV 1 ASSI { 69} (( segid " A" and resid 142 and name HN )) (( segid " A" and resid 156 and name HA )) 6.000 4.500 0.000 peak 69 spectrum 1 weight 0.10000E+01 volume 0.70651E-03 ppm1 8.891 ppm2 4.745 CV 1 ASSI { 70} (( segid " A" and resid 142 and name HN )) (( segid " A" and resid 141 and name HA )) 6.000 4.500 0.000 peak 70 spectrum 1 weight 0.10000E+01 volume 0.50280E-02 ppm1 8.889 ppm2 4.570 CV 1 ASSI { 71} (( segid " A" and resid 236 and name HN )) (( segid " A" and resid 236 and name HA )) 6.000 4.500 0.000 peak 71 spectrum 1 weight 0.10000E+01 volume 0.18334E-02 ppm1 8.978 ppm2 4.276 CV 1 ASSI { 72} (( segid " A" and resid 142 and name HN )) (( segid " A" and resid 158 and name HA )) 6.000 4.500 0.000 peak 72 spectrum 1 weight 0.10000E+01 volume 0.76259E-03 ppm1 8.889 ppm2 4.073 CV 1 ASSI { 73} (( segid " A" and resid 236 and name HN )) (( segid " A" and resid 235 and name HA )) 6.000 4.500 0.000 peak 73 spectrum 1 weight 0.10000E+01 volume 0.30729E-02 ppm1 8.980 ppm2 4.032 CV 1 ASSI { 74} (( segid " A" and resid 142 and name HN )) (( segid " A" and resid 142 and name HB1 )) 6.000 4.500 0.000 peak 74 spectrum 1 weight 0.10000E+01 volume 0.17316E-02 ppm1 8.890 ppm2 2.793 CV 1 ASSI { 75} (( segid " A" and resid 142 and name HN )) (( segid " A" and resid 142 and name HB2 )) 6.000 4.500 0.000 peak 75 spectrum 1 weight 0.10000E+01 volume 0.19063E-02 ppm1 8.889 ppm2 2.584 CV 1 ASSI { 76} (( segid " A" and resid 116 and name HN )) (( segid " A" and resid 115 and name HB1 )) 6.000 4.500 0.000 peak 76 spectrum 1 weight 0.10000E+01 volume 0.38759E-03 ppm1 8.363 ppm2 2.415 CV 1 OR { 76} (( segid " A" and resid 241 and name HN )) (( segid " A" and resid 250 and name HB2 )) ASSI { 77} (( segid " A" and resid 236 and name HN )) (( segid " A" and resid 256 and name HB1 )) 6.000 4.500 0.000 peak 77 spectrum 1 weight 0.10000E+01 volume 0.50013E-03 ppm1 8.976 ppm2 2.160 CV 1 OR { 77} (( segid " A" and resid 236 and name HN )) (( segid " A" and resid 256 and name HG2 )) OR { 77} (( segid " A" and resid 236 and name HN )) (( segid " A" and resid 258 and name HG1 )) ASSI { 78} (( segid " A" and resid 236 and name HN )) (( segid " A" and resid 235 and name HG12)) 6.000 4.500 0.000 peak 78 spectrum 1 weight 0.10000E+01 volume 0.38950E-03 ppm1 8.978 ppm2 1.897 CV 1 OR { 78} (( segid " A" and resid 236 and name HN )) (( segid " A" and resid 258 and name HB2 )) ASSI { 79} (( segid " A" and resid 236 and name HN )) (( segid " A" and resid 236 and name HB1 )) 6.000 4.500 0.000 peak 79 spectrum 1 weight 0.10000E+01 volume 0.19952E-02 ppm1 8.978 ppm2 1.670 CV 1 ASSI { 80} (( segid " A" and resid 142 and name HN )) (( segid " A" and resid 141 and name HB )) 6.000 4.500 0.000 peak 80 spectrum 1 weight 0.10000E+01 volume 0.57681E-03 ppm1 8.883 ppm2 1.601 CV 1 ASSI { 81} (( segid " A" and resid 236 and name HN )) (( segid " A" and resid 236 and name HB2 )) 6.000 4.500 0.000 peak 81 spectrum 1 weight 0.10000E+01 volume 0.18269E-02 ppm1 8.978 ppm2 1.464 CV 1 ASSI { 82} (( segid " A" and resid 236 and name HN )) (( segid " A" and resid 236 and name HG2 )) 6.000 4.500 0.000 peak 82 spectrum 1 weight 0.10000E+01 volume 0.16145E-02 ppm1 8.978 ppm2 1.318 CV 1 OR { 82} (( segid " A" and resid 236 and name HN )) (( segid " A" and resid 236 and name HG1 )) ASSI { 83} (( segid " A" and resid 142 and name HN )) (( segid " A" and resid 141 and name HG11)) 6.000 4.500 0.000 peak 83 spectrum 1 weight 0.10000E+01 volume 0.13177E-02 ppm1 8.886 ppm2 0.794 CV 1 OR { 83} (( segid " A" and resid 142 and name HN )) ( segid " A" and resid 156 and name HB% ) ASSI { 84} (( segid " A" and resid 236 and name HN )) ( segid " A" and resid 235 and name HG2%) 6.000 4.500 0.000 peak 84 spectrum 1 weight 0.10000E+01 volume 0.21913E-02 ppm1 8.979 ppm2 0.549 CV 1 ASSI { 85} (( segid " A" and resid 142 and name HN )) ( segid " A" and resid 141 and name HG2%) 6.000 4.500 0.000 peak 85 spectrum 1 weight 0.10000E+01 volume 0.24182E-02 ppm1 8.889 ppm2 0.568 CV 1 ASSI { 86} (( segid " A" and resid 236 and name HN )) (( segid " A" and resid 235 and name HG11)) 6.000 4.500 0.000 peak 86 spectrum 1 weight 0.10000E+01 volume 0.45435E-03 ppm1 8.977 ppm2 0.014 CV 1 ASSI { 87} (( segid " A" and resid 116 and name HN )) (( segid " A" and resid 156 and name HN )) 6.000 4.500 0.000 peak 87 spectrum 1 weight 0.10000E+01 volume 0.57605E-03 ppm1 8.360 ppm2 9.058 CV 1 ASSI { 88} (( segid " A" and resid 241 and name HN )) (( segid " A" and resid 240 and name HN )) 6.000 4.500 0.000 peak 88 spectrum 1 weight 0.10000E+01 volume 0.73360E-03 ppm1 8.337 ppm2 8.587 CV 1 ASSI { 89} (( segid " A" and resid 142 and name HN )) (( segid " A" and resid 141 and name HN )) 6.000 4.500 0.000 peak 89 spectrum 1 weight 0.10000E+01 volume 0.38568E-03 ppm1 8.893 ppm2 8.174 CV 1 ASSI { 90} (( segid " A" and resid 241 and name HN )) (( segid " A" and resid 254 and name HN )) 6.000 4.500 0.000 peak 90 spectrum 1 weight 0.10000E+01 volume 0.41468E-03 ppm1 8.332 ppm2 7.783 CV 1 ASSI { 91} (( segid " A" and resid 241 and name HN )) (( segid " A" and resid 252 and name HN )) 6.000 4.500 0.000 peak 91 spectrum 1 weight 0.10000E+01 volume 0.40781E-03 ppm1 8.332 ppm2 7.100 CV 1 ASSI { 92} (( segid " A" and resid 241 and name HN )) ( segid " A" and resid 252 and name HD% ) 6.000 4.500 0.000 peak 92 spectrum 1 weight 0.10000E+01 volume 0.56994E-03 ppm1 8.336 ppm2 6.782 CV 1 OR { 92} (( segid " A" and resid 241 and name HN )) ( segid " A" and resid 252 and name HE% ) OR { 92} (( segid " A" and resid 116 and name HN )) ( segid " A" and resid 155 and name HD% ) ASSI { 93} (( segid " A" and resid 241 and name HN )) (( segid " A" and resid 239 and name HA )) 6.000 4.500 0.000 peak 93 spectrum 1 weight 0.10000E+01 volume 0.53752E-03 ppm1 8.332 ppm2 4.821 CV 1 ASSI { 94} (( segid " A" and resid 241 and name HN )) (( segid " A" and resid 240 and name HA )) 6.000 4.500 0.000 peak 94 spectrum 1 weight 0.10000E+01 volume 0.41506E-02 ppm1 8.336 ppm2 4.554 CV 1 ASSI { 95} (( segid " A" and resid 116 and name HN )) (( segid " A" and resid 115 and name HA )) 6.000 4.500 0.000 peak 95 spectrum 1 weight 0.10000E+01 volume 0.17747E-02 ppm1 8.364 ppm2 4.468 CV 1 ASSI { 96} (( segid " A" and resid 241 and name HN )) (( segid " A" and resid 241 and name HA )) 6.000 4.500 0.000 peak 96 spectrum 1 weight 0.10000E+01 volume 0.31553E-02 ppm1 8.334 ppm2 4.096 CV 1 ASSI { 97} (( segid " A" and resid 116 and name HN )) (( segid " A" and resid 116 and name HB )) 6.000 4.500 0.000 peak 97 spectrum 1 weight 0.10000E+01 volume 0.91099E-03 ppm1 8.358 ppm2 1.525 CV 1 ASSI { 98} (( segid " A" and resid 241 and name HN )) (( segid " A" and resid 240 and name HB2 )) 6.000 4.500 0.000 peak 98 spectrum 1 weight 0.10000E+01 volume 0.11414E-02 ppm1 8.333 ppm2 1.450 CV 1 ASSI { 99} (( segid " A" and resid 241 and name HN )) ( segid " A" and resid 241 and name HB% ) 6.000 4.500 0.000 peak 99 spectrum 1 weight 0.10000E+01 volume 0.72483E-02 ppm1 8.335 ppm2 0.754 CV 1 ASSI { 100} (( segid " A" and resid 116 and name HN )) ( segid " A" and resid 116 and name HG1%) 6.000 4.500 0.000 peak 100 spectrum 1 weight 0.10000E+01 volume 0.11643E-02 ppm1 8.361 ppm2 0.263 CV 1 ASSI { 101} (( segid " A" and resid 241 and name HN )) ( segid " A" and resid 240 and name HD2%) 6.000 4.500 0.000 peak 101 spectrum 1 weight 0.10000E+01 volume 0.21024E-02 ppm1 8.335 ppm2 0.062 CV 1 ASSI { 102} (( segid " A" and resid 241 and name HN )) ( segid " A" and resid 240 and name HD1%) 6.000 4.500 0.000 peak 102 spectrum 1 weight 0.10000E+01 volume 0.55621E-03 ppm1 8.331 ppm2 -0.108 CV 1 ASSI { 103} (( segid " A" and resid 241 and name HN )) (( segid " A" and resid 253 and name HN )) 6.000 4.500 0.000 peak 103 spectrum 1 weight 0.10000E+01 volume 0.40667E-03 ppm1 8.330 ppm2 8.753 CV 1 ASSI { 104} (( segid " A" and resid 241 and name HN )) (( segid " A" and resid 240 and name HG )) 6.000 4.500 0.000 peak 104 spectrum 1 weight 0.10000E+01 volume 0.51844E-03 ppm1 8.333 ppm2 1.110 CV 1 ASSI { 105} (( segid " A" and resid 138 and name HN )) (( segid " A" and resid 138 and name HA )) 6.000 4.500 0.000 peak 105 spectrum 1 weight 0.10000E+01 volume 0.62030E-03 ppm1 8.743 ppm2 3.721 CV 1 ASSI { 106} (( segid " A" and resid 138 and name HN )) (( segid " A" and resid 138 and name HG11)) 6.000 4.500 0.000 peak 106 spectrum 1 weight 0.10000E+01 volume 0.84843E-03 ppm1 8.742 ppm2 0.295 CV 1 ASSI { 108} (( segid " A" and resid 274 and name HN )) (( segid " A" and resid 273 and name HN )) 6.000 4.500 0.000 peak 108 spectrum 1 weight 0.10000E+01 volume 0.68591E-03 ppm1 7.880 ppm2 7.569 CV 1 ASSI { 109} (( segid " A" and resid 274 and name HN )) ( segid " A" and resid 273 and name HD% ) 6.000 4.500 0.000 peak 109 spectrum 1 weight 0.10000E+01 volume 0.12639E-02 ppm1 7.882 ppm2 7.139 CV 1 ASSI { 110} (( segid " A" and resid 274 and name HN )) ( segid " A" and resid 279 and name HD% ) 6.000 4.500 0.000 peak 110 spectrum 1 weight 0.10000E+01 volume 0.77022E-03 ppm1 7.882 ppm2 6.954 CV 1 ASSI { 111} (( segid " A" and resid 274 and name HN )) (( segid " A" and resid 279 and name HA )) 6.000 4.500 0.000 peak 111 spectrum 1 weight 0.10000E+01 volume 0.10327E-02 ppm1 7.881 ppm2 4.774 CV 1 OR { 111} (( segid " A" and resid 274 and name HN )) (( segid " A" and resid 275 and name HA )) ASSI { 112} (( segid " A" and resid 138 and name HN )) (( segid " A" and resid 137 and name HA )) 6.000 4.500 0.000 peak 112 spectrum 1 weight 0.10000E+01 volume 0.33418E-02 ppm1 8.741 ppm2 4.616 CV 1 ASSI { 113} (( segid " A" and resid 274 and name HN )) (( segid " A" and resid 274 and name HA )) 6.000 4.500 0.000 peak 113 spectrum 1 weight 0.10000E+01 volume 0.97088E-02 ppm1 7.882 ppm2 4.279 CV 1 ASSI { 114} (( segid " A" and resid 274 and name HN )) (( segid " A" and resid 273 and name HB1 )) 6.000 4.500 0.000 peak 114 spectrum 1 weight 0.10000E+01 volume 0.10937E-02 ppm1 7.881 ppm2 3.290 CV 1 ASSI { 115} (( segid " A" and resid 274 and name HN )) (( segid " A" and resid 273 and name HB2 )) 6.000 4.500 0.000 peak 115 spectrum 1 weight 0.10000E+01 volume 0.54286E-03 ppm1 7.886 ppm2 2.944 CV 1 ASSI { 116} (( segid " A" and resid 274 and name HN )) (( segid " A" and resid 274 and name HB2 )) 6.000 4.500 0.000 peak 116 spectrum 1 weight 0.10000E+01 volume 0.41697E-02 ppm1 7.883 ppm2 2.440 CV 1 ASSI { 117} (( segid " A" and resid 138 and name HN )) (( segid " A" and resid 137 and name HB1 )) 6.000 4.500 0.000 peak 117 spectrum 1 weight 0.10000E+01 volume 0.73246E-03 ppm1 8.741 ppm2 2.323 CV 1 ASSI { 118} (( segid " A" and resid 274 and name HN )) (( segid " A" and resid 274 and name HB1 )) 6.000 4.500 0.000 peak 118 spectrum 1 weight 0.10000E+01 volume 0.42002E-02 ppm1 7.882 ppm2 2.189 CV 1 ASSI { 119} (( segid " A" and resid 138 and name HN )) (( segid " A" and resid 137 and name HB2 )) 6.000 4.500 0.000 peak 119 spectrum 1 weight 0.10000E+01 volume 0.73894E-03 ppm1 8.746 ppm2 2.018 CV 1 ASSI { 120} (( segid " A" and resid 138 and name HN )) (( segid " A" and resid 138 and name HG12)) 6.000 4.500 0.000 peak 120 spectrum 1 weight 0.10000E+01 volume 0.12700E-02 ppm1 8.738 ppm2 1.874 CV 1 ASSI { 121} (( segid " A" and resid 138 and name HN )) (( segid " A" and resid 138 and name HB )) 6.000 4.500 0.000 peak 121 spectrum 1 weight 0.10000E+01 volume 0.27650E-02 ppm1 8.740 ppm2 1.618 CV 1 ASSI { 122} (( segid " A" and resid 138 and name HN )) ( segid " A" and resid 138 and name HD1%) 6.000 4.500 0.000 peak 122 spectrum 1 weight 0.10000E+01 volume 0.10525E-02 ppm1 8.738 ppm2 0.737 CV 1 ASSI { 123} (( segid " A" and resid 138 and name HN )) ( segid " A" and resid 138 and name HG2%) 6.000 4.500 0.000 peak 123 spectrum 1 weight 0.10000E+01 volume 0.11948E-02 ppm1 8.736 ppm2 0.510 CV 1 ASSI { 124} (( segid " A" and resid 159 and name HN )) (( segid " A" and resid 158 and name HN )) 6.000 4.500 0.000 peak 124 spectrum 1 weight 0.10000E+01 volume 0.12379E-02 ppm1 8.615 ppm2 8.893 CV 1 ASSI { 126} (( segid " A" and resid 159 and name HN )) (( segid " A" and resid 140 and name HN )) 6.000 4.500 0.000 peak 126 spectrum 1 weight 0.10000E+01 volume 0.11231E-02 ppm1 8.617 ppm2 7.690 CV 1 ASSI { 127} (( segid " A" and resid 159 and name HN )) (( segid " A" and resid 159 and name HA )) 6.000 4.500 0.000 peak 127 spectrum 1 weight 0.10000E+01 volume 0.11139E-02 ppm1 8.616 ppm2 4.985 CV 1 ASSI { 128} (( segid " A" and resid 240 and name HN )) (( segid " A" and resid 239 and name HA )) 6.000 4.500 0.000 peak 128 spectrum 1 weight 0.10000E+01 volume 0.74390E-02 ppm1 8.580 ppm2 4.837 CV 1 ASSI { 129} (( segid " A" and resid 159 and name HN )) (( segid " A" and resid 158 and name HA )) 6.000 4.500 0.000 peak 129 spectrum 1 weight 0.10000E+01 volume 0.52912E-02 ppm1 8.616 ppm2 4.063 CV 1 ASSI { 130} (( segid " A" and resid 240 and name HN )) (( segid " A" and resid 239 and name HB )) 6.000 4.500 0.000 peak 130 spectrum 1 weight 0.10000E+01 volume 0.94533E-03 ppm1 8.578 ppm2 3.923 CV 1 ASSI { 131} (( segid " A" and resid 240 and name HN )) (( segid " A" and resid 222 and name HA )) 6.000 4.500 0.000 peak 131 spectrum 1 weight 0.10000E+01 volume 0.46732E-03 ppm1 8.585 ppm2 3.684 CV 1 ASSI { 132} (( segid " A" and resid 240 and name HN )) (( segid " A" and resid 222 and name HB1 )) 6.000 4.500 0.000 peak 132 spectrum 1 weight 0.10000E+01 volume 0.67828E-03 ppm1 8.578 ppm2 2.594 CV 1 ASSI { 133} (( segid " A" and resid 159 and name HN )) (( segid " A" and resid 159 and name HB2 )) 6.000 4.500 0.000 peak 133 spectrum 1 weight 0.10000E+01 volume 0.30340E-02 ppm1 8.616 ppm2 2.009 CV 1 ASSI { 134} (( segid " A" and resid 159 and name HN )) (( segid " A" and resid 159 and name HB1 )) 6.000 4.500 0.000 peak 134 spectrum 1 weight 0.10000E+01 volume 0.15256E-02 ppm1 8.616 ppm2 1.660 CV 1 ASSI { 135} (( segid " A" and resid 240 and name HN )) (( segid " A" and resid 240 and name HB2 )) 6.000 4.500 0.000 peak 135 spectrum 1 weight 0.10000E+01 volume 0.17793E-02 ppm1 8.584 ppm2 1.445 CV 1 ASSI { 136} (( segid " A" and resid 240 and name HN )) (( segid " A" and resid 240 and name HG )) 6.000 4.500 0.000 peak 136 spectrum 1 weight 0.10000E+01 volume 0.36623E-02 ppm1 8.581 ppm2 1.130 CV 1 ASSI { 137} (( segid " A" and resid 240 and name HN )) (( segid " A" and resid 240 and name HB1 )) 6.000 4.500 0.000 peak 137 spectrum 1 weight 0.10000E+01 volume 0.13024E-02 ppm1 8.582 ppm2 0.748 CV 1 ASSI { 138} (( segid " A" and resid 159 and name HN )) ( segid " A" and resid 138 and name HG2%) 6.000 4.500 0.000 peak 138 spectrum 1 weight 0.10000E+01 volume 0.12379E-02 ppm1 8.618 ppm2 0.527 CV 1 ASSI { 139} (( segid " A" and resid 159 and name HN )) ( segid " A" and resid 158 and name HG1%) 6.000 4.500 0.000 peak 139 spectrum 1 weight 0.10000E+01 volume 0.27784E-02 ppm1 8.616 ppm2 0.099 CV 1 ASSI { 140} (( segid " A" and resid 240 and name HN )) ( segid " A" and resid 240 and name HD1%) 6.000 4.500 0.000 peak 140 spectrum 1 weight 0.10000E+01 volume 0.13222E-02 ppm1 8.579 ppm2 -0.112 CV 1 ASSI { 141} (( segid " A" and resid 214 and name HN )) (( segid " A" and resid 281 and name HN )) 6.000 4.500 0.000 peak 141 spectrum 1 weight 0.10000E+01 volume 0.12917E-02 ppm1 8.903 ppm2 7.740 CV 1 ASSI { 142} (( segid " A" and resid 178 and name HN )) (( segid " A" and resid 181 and name HN )) 6.000 4.500 0.000 peak 142 spectrum 1 weight 0.10000E+01 volume 0.49250E-03 ppm1 8.512 ppm2 7.367 CV 1 ASSI { 143} (( segid " A" and resid 214 and name HN )) (( segid " A" and resid 282 and name HA )) 6.000 4.500 0.000 peak 143 spectrum 1 weight 0.10000E+01 volume 0.13848E-02 ppm1 8.904 ppm2 5.359 CV 1 ASSI { 144} (( segid " A" and resid 214 and name HN )) (( segid " A" and resid 213 and name HA )) 6.000 4.500 0.000 peak 144 spectrum 1 weight 0.10000E+01 volume 0.72826E-02 ppm1 8.903 ppm2 4.567 CV 1 ASSI { 145} (( segid " A" and resid 178 and name HN )) (( segid " A" and resid 177 and name HA )) 6.000 4.500 0.000 peak 145 spectrum 1 weight 0.10000E+01 volume 0.55125E-02 ppm1 8.515 ppm2 4.564 CV 1 ASSI { 146} (( segid " A" and resid 178 and name HN )) (( segid " A" and resid 177 and name HB1 )) 6.000 4.500 0.000 peak 146 spectrum 1 weight 0.10000E+01 volume 0.10357E-02 ppm1 8.514 ppm2 1.896 CV 1 ASSI { 147} (( segid " A" and resid 178 and name HN )) (( segid " A" and resid 177 and name HB2 )) 6.000 4.500 0.000 peak 147 spectrum 1 weight 0.10000E+01 volume 0.10510E-02 ppm1 8.514 ppm2 1.767 CV 1 ASSI { 148} (( segid " A" and resid 214 and name HN )) (( segid " A" and resid 281 and name HB1 )) 6.000 4.500 0.000 peak 148 spectrum 1 weight 0.10000E+01 volume 0.79426E-03 ppm1 8.905 ppm2 1.731 CV 1 OR { 148} (( segid " A" and resid 214 and name HN )) (( segid " A" and resid 281 and name HB2 )) ASSI { 149} (( segid " A" and resid 214 and name HN )) ( segid " A" and resid 214 and name HB% ) 6.000 4.500 0.000 peak 149 spectrum 1 weight 0.10000E+01 volume 0.39484E-02 ppm1 8.903 ppm2 1.233 CV 1 ASSI { 150} (( segid " A" and resid 214 and name HN )) ( segid " A" and resid 168 and name HD2%) 6.000 4.500 0.000 peak 150 spectrum 1 weight 0.10000E+01 volume 0.25590E-02 ppm1 8.901 ppm2 0.961 CV 1 OR { 150} (( segid " A" and resid 214 and name HN )) ( segid " A" and resid 282 and name HG2%) OR { 150} (( segid " A" and resid 214 and name HN )) ( segid " A" and resid 282 and name HG1%) OR { 150} (( segid " A" and resid 214 and name HN )) (( segid " A" and resid 281 and name HG2 )) ASSI { 151} (( segid " A" and resid 214 and name HN )) ( segid " A" and resid 213 and name HG2%) 6.000 4.500 0.000 peak 151 spectrum 1 weight 0.10000E+01 volume 0.31206E-02 ppm1 8.903 ppm2 0.351 CV 1 OR { 151} (( segid " A" and resid 214 and name HN )) ( segid " A" and resid 213 and name HG1%) ASSI { 152} (( segid " A" and resid 178 and name HN )) (( segid " A" and resid 183 and name HN )) 6.000 4.500 0.000 peak 152 spectrum 1 weight 0.10000E+01 volume 0.78434E-03 ppm1 8.513 ppm2 8.335 CV 1 ASSI { 153} (( segid " A" and resid 230 and name HN )) (( segid " A" and resid 229 and name HN )) 6.000 4.500 0.000 peak 153 spectrum 1 weight 0.10000E+01 volume 0.26742E-02 ppm1 8.882 ppm2 8.303 CV 1 ASSI { 154} (( segid " A" and resid 214 and name HN )) (( segid " A" and resid 213 and name HN )) 6.000 4.500 0.000 peak 154 spectrum 1 weight 0.10000E+01 volume 0.11796E-02 ppm1 8.884 ppm2 7.639 CV 1 OR { 154} (( segid " A" and resid 230 and name HN )) ( segid " A" and resid 229 and name HD% ) ASSI { 155} (( segid " A" and resid 230 and name HN )) (( segid " A" and resid 231 and name HN )) 6.000 4.500 0.000 peak 155 spectrum 1 weight 0.10000E+01 volume 0.23812E-02 ppm1 8.882 ppm2 7.441 CV 1 ASSI { 156} (( segid " A" and resid 230 and name HN )) (( segid " A" and resid 228 and name HN )) 6.000 4.500 0.000 peak 156 spectrum 1 weight 0.10000E+01 volume 0.42955E-03 ppm1 8.880 ppm2 7.246 CV 1 ASSI { 157} (( segid " A" and resid 230 and name HN )) (( segid " A" and resid 230 and name HA )) 6.000 4.500 0.000 peak 157 spectrum 1 weight 0.10000E+01 volume 0.26666E-02 ppm1 8.883 ppm2 5.023 CV 1 ASSI { 158} (( segid " A" and resid 178 and name HN )) (( segid " A" and resid 182 and name HA )) 6.000 4.500 0.000 peak 158 spectrum 1 weight 0.10000E+01 volume 0.21363E-02 ppm1 8.514 ppm2 4.813 CV 1 ASSI { 159} (( segid " A" and resid 230 and name HN )) (( segid " A" and resid 229 and name HA )) 6.000 4.500 0.000 peak 159 spectrum 1 weight 0.10000E+01 volume 0.18224E-02 ppm1 8.883 ppm2 4.170 CV 1 OR { 159} (( segid " A" and resid 230 and name HN )) (( segid " A" and resid 227 and name HA )) ASSI { 160} (( segid " A" and resid 230 and name HN )) (( segid " A" and resid 229 and name HB1 )) 6.000 4.500 0.000 peak 160 spectrum 1 weight 0.10000E+01 volume 0.59436E-03 ppm1 8.884 ppm2 3.453 CV 1 ASSI { 161} (( segid " A" and resid 230 and name HN )) (( segid " A" and resid 229 and name HB2 )) 6.000 4.500 0.000 peak 161 spectrum 1 weight 0.10000E+01 volume 0.10312E-02 ppm1 8.884 ppm2 2.781 CV 1 ASSI { 162} (( segid " A" and resid 230 and name HN )) (( segid " A" and resid 230 and name HG2 )) 6.000 4.500 0.000 peak 162 spectrum 1 weight 0.10000E+01 volume 0.21054E-02 ppm1 8.882 ppm2 2.537 CV 1 OR { 162} (( segid " A" and resid 230 and name HN )) (( segid " A" and resid 230 and name HG1 )) ASSI { 163} (( segid " A" and resid 230 and name HN )) (( segid " A" and resid 230 and name HB1 )) 6.000 4.500 0.000 peak 163 spectrum 1 weight 0.10000E+01 volume 0.39789E-02 ppm1 8.883 ppm2 2.270 CV 1 ASSI { 164} (( segid " A" and resid 178 and name HN )) (( segid " A" and resid 177 and name HG2 )) 6.000 4.500 0.000 peak 164 spectrum 1 weight 0.10000E+01 volume 0.95143E-03 ppm1 8.517 ppm2 2.262 CV 1 OR { 164} (( segid " A" and resid 178 and name HN )) (( segid " A" and resid 177 and name HG1 )) ASSI { 165} (( segid " A" and resid 230 and name HN )) (( segid " A" and resid 230 and name HB2 )) 6.000 4.500 0.000 peak 165 spectrum 1 weight 0.10000E+01 volume 0.37405E-02 ppm1 8.882 ppm2 2.054 CV 1 ASSI { 166} (( segid " A" and resid 178 and name HN )) (( segid " A" and resid 178 and name HB1 )) 6.000 4.500 0.000 peak 166 spectrum 1 weight 0.10000E+01 volume 0.11872E-02 ppm1 8.516 ppm2 1.542 CV 1 ASSI { 167} (( segid " A" and resid 178 and name HN )) (( segid " A" and resid 178 and name HB2 )) 6.000 4.500 0.000 peak 167 spectrum 1 weight 0.10000E+01 volume 0.16534E-02 ppm1 8.516 ppm2 1.396 CV 1 ASSI { 168} (( segid " A" and resid 178 and name HN )) ( segid " A" and resid 183 and name HG2%) 6.000 4.500 0.000 peak 168 spectrum 1 weight 0.10000E+01 volume 0.13631E-02 ppm1 8.514 ppm2 0.913 CV 1 ASSI { 169} (( segid " A" and resid 178 and name HN )) ( segid " A" and resid 178 and name HD1%) 6.000 4.500 0.000 peak 169 spectrum 1 weight 0.10000E+01 volume 0.93922E-03 ppm1 8.511 ppm2 0.810 CV 1 OR { 169} (( segid " A" and resid 178 and name HN )) ( segid " A" and resid 178 and name HD2%) ASSI { 170} (( segid " A" and resid 230 and name HN )) ( segid " A" and resid 235 and name HD1%) 6.000 4.500 0.000 peak 170 spectrum 1 weight 0.10000E+01 volume 0.25163E-02 ppm1 8.883 ppm2 0.647 CV 1 ASSI { 171} (( segid " A" and resid 218 and name HN )) (( segid " A" and resid 219 and name HN )) 6.000 4.500 0.000 peak 171 spectrum 1 weight 0.10000E+01 volume 0.70651E-03 ppm1 8.049 ppm2 11.137 CV 1 ASSI { 172} (( segid " A" and resid 218 and name HN )) (( segid " A" and resid 220 and name HN )) 6.000 4.500 0.000 peak 172 spectrum 1 weight 0.10000E+01 volume 0.49479E-03 ppm1 8.043 ppm2 7.860 CV 1 ASSI { 173} (( segid " A" and resid 218 and name HN )) (( segid " A" and resid 217 and name HB2 )) 6.000 4.500 0.000 peak 173 spectrum 1 weight 0.10000E+01 volume 0.70842E-03 ppm1 8.047 ppm2 3.038 CV 1 ASSI { 175} (( segid " A" and resid 218 and name HN )) (( segid " A" and resid 217 and name HA )) 6.000 4.500 0.000 peak 175 spectrum 1 weight 0.10000E+01 volume 0.63441E-02 ppm1 8.047 ppm2 3.863 CV 1 ASSI { 176} (( segid " A" and resid 218 and name HN )) (( segid " A" and resid 218 and name HA )) 6.000 4.500 0.000 peak 176 spectrum 1 weight 0.10000E+01 volume 0.23172E-02 ppm1 8.047 ppm2 3.610 CV 1 ASSI { 177} (( segid " A" and resid 218 and name HN )) (( segid " A" and resid 217 and name HB1 )) 6.000 4.500 0.000 peak 177 spectrum 1 weight 0.10000E+01 volume 0.56155E-03 ppm1 8.046 ppm2 2.770 CV 1 ASSI { 178} (( segid " A" and resid 218 and name HN )) (( segid " A" and resid 218 and name HG1 )) 6.000 4.500 0.000 peak 178 spectrum 1 weight 0.10000E+01 volume 0.95143E-03 ppm1 8.050 ppm2 2.186 CV 1 ASSI { 179} (( segid " A" and resid 218 and name HN )) (( segid " A" and resid 218 and name HG2 )) 6.000 4.500 0.000 peak 179 spectrum 1 weight 0.10000E+01 volume 0.14409E-02 ppm1 8.045 ppm2 2.085 CV 1 ASSI { 180} (( segid " A" and resid 218 and name HN )) (( segid " A" and resid 218 and name HB2 )) 6.000 4.500 0.000 peak 180 spectrum 1 weight 0.10000E+01 volume 0.35150E-02 ppm1 8.044 ppm2 1.783 CV 1 ASSI { 181} (( segid " A" and resid 256 and name HN )) (( segid " A" and resid 255 and name HB )) 6.000 4.500 0.000 peak 181 spectrum 1 weight 0.10000E+01 volume 0.53828E-03 ppm1 8.809 ppm2 1.205 CV 1 ASSI { 182} (( segid " A" and resid 160 and name HN )) (( segid " A" and resid 139 and name HN )) 6.000 4.500 0.000 peak 182 spectrum 1 weight 0.10000E+01 volume 0.45206E-03 ppm1 8.912 ppm2 9.463 CV 1 ASSI { 183} (( segid " A" and resid 257 and name HN )) (( segid " A" and resid 258 and name HN )) 6.000 4.500 0.000 peak 183 spectrum 1 weight 0.10000E+01 volume 0.40628E-03 ppm1 8.800 ppm2 8.264 CV 1 ASSI { 184} (( segid " A" and resid 256 and name HN )) (( segid " A" and resid 237 and name HN )) 6.000 4.500 0.000 peak 184 spectrum 1 weight 0.10000E+01 volume 0.13413E-02 ppm1 8.808 ppm2 7.421 CV 1 ASSI { 185} (( segid " A" and resid 146 and name HN )) (( segid " A" and resid 145 and name HE3 )) 6.000 4.500 0.000 peak 185 spectrum 1 weight 0.10000E+01 volume 0.64815E-03 ppm1 8.240 ppm2 7.300 CV 1 ASSI { 186} (( segid " A" and resid 257 and name HN )) (( segid " A" and resid 210 and name HA )) 6.000 4.500 0.000 peak 186 spectrum 1 weight 0.10000E+01 volume 0.89039E-03 ppm1 8.809 ppm2 5.710 CV 1 ASSI { 187} (( segid " A" and resid 160 and name HN )) (( segid " A" and resid 113 and name HA )) 6.000 4.500 0.000 peak 187 spectrum 1 weight 0.10000E+01 volume 0.75954E-03 ppm1 8.916 ppm2 5.333 CV 1 ASSI { 188} (( segid " A" and resid 146 and name HN )) (( segid " A" and resid 152 and name HA )) 6.000 4.500 0.000 peak 188 spectrum 1 weight 0.10000E+01 volume 0.10205E-02 ppm1 8.244 ppm2 4.967 CV 1 ASSI { 189} (( segid " A" and resid 256 and name HN )) (( segid " A" and resid 238 and name HA )) 6.000 4.500 0.000 peak 189 spectrum 1 weight 0.10000E+01 volume 0.23324E-02 ppm1 8.802 ppm2 4.737 CV 1 ASSI { 191} (( segid " A" and resid 146 and name HN )) (( segid " A" and resid 145 and name HA )) 6.000 4.500 0.000 peak 191 spectrum 1 weight 0.10000E+01 volume 0.34849E-02 ppm1 8.241 ppm2 4.582 CV 1 ASSI { 192} (( segid " A" and resid 256 and name HN )) (( segid " A" and resid 255 and name HA )) 6.000 4.500 0.000 peak 192 spectrum 1 weight 0.10000E+01 volume 0.43528E-02 ppm1 8.808 ppm2 4.522 CV 1 ASSI { 193} (( segid " A" and resid 160 and name HN )) (( segid " A" and resid 112 and name HA )) 6.000 4.500 0.000 peak 193 spectrum 1 weight 0.10000E+01 volume 0.45969E-03 ppm1 8.918 ppm2 4.120 CV 1 ASSI { 194} (( segid " A" and resid 146 and name HN )) (( segid " A" and resid 146 and name HB1 )) 6.000 4.500 0.000 peak 194 spectrum 1 weight 0.10000E+01 volume 0.17270E-02 ppm1 8.240 ppm2 3.052 CV 1 ASSI { 195} (( segid " A" and resid 146 and name HN )) (( segid " A" and resid 146 and name HB2 )) 6.000 4.500 0.000 peak 195 spectrum 1 weight 0.10000E+01 volume 0.14497E-02 ppm1 8.241 ppm2 2.283 CV 1 ASSI { 196} (( segid " A" and resid 256 and name HN )) (( segid " A" and resid 256 and name HB1 )) 6.000 4.500 0.000 peak 196 spectrum 1 weight 0.10000E+01 volume 0.31900E-02 ppm1 8.806 ppm2 2.152 CV 1 ASSI { 197} (( segid " A" and resid 256 and name HN )) (( segid " A" and resid 256 and name HB2 )) 6.000 4.500 0.000 peak 197 spectrum 1 weight 0.10000E+01 volume 0.22435E-02 ppm1 8.808 ppm2 1.739 CV 1 ASSI { 198} (( segid " A" and resid 257 and name HN )) (( segid " A" and resid 236 and name HB2 )) 6.000 4.500 0.000 peak 198 spectrum 1 weight 0.10000E+01 volume 0.49021E-03 ppm1 8.811 ppm2 1.455 CV 1 OR { 198} (( segid " A" and resid 257 and name HN )) (( segid " A" and resid 210 and name HG1 )) OR { 198} (( segid " A" and resid 256 and name HN )) (( segid " A" and resid 236 and name HB2 )) OR { 198} (( segid " A" and resid 256 and name HN )) (( segid " A" and resid 210 and name HG1 )) ASSI { 199} (( segid " A" and resid 160 and name HN )) ( segid " A" and resid 166 and name HB% ) 6.000 4.500 0.000 peak 199 spectrum 1 weight 0.10000E+01 volume 0.73665E-03 ppm1 8.916 ppm2 1.418 CV 1 ASSI { 200} (( segid " A" and resid 256 and name HN )) (( segid " A" and resid 255 and name HG11)) 6.000 4.500 0.000 peak 200 spectrum 1 weight 0.10000E+01 volume 0.61419E-03 ppm1 8.809 ppm2 1.019 CV 1 OR { 200} (( segid " A" and resid 256 and name HN )) (( segid " A" and resid 211 and name HG11)) ASSI { 201} (( segid " A" and resid 256 and name HN )) ( segid " A" and resid 235 and name HG2%) 6.000 4.500 0.000 peak 201 spectrum 1 weight 0.10000E+01 volume 0.21115E-02 ppm1 8.809 ppm2 0.550 CV 1 OR { 201} (( segid " A" and resid 256 and name HN )) (( segid " A" and resid 255 and name HG12)) ASSI { 202} (( segid " A" and resid 256 and name HN )) ( segid " A" and resid 255 and name HG2%) 6.000 4.500 0.000 peak 202 spectrum 1 weight 0.10000E+01 volume 0.26052E-02 ppm1 8.808 ppm2 0.197 CV 1 ASSI { 203} (( segid " A" and resid 257 and name HN )) (( segid " A" and resid 211 and name HN )) 6.000 4.500 0.000 peak 203 spectrum 1 weight 0.10000E+01 volume 0.47343E-03 ppm1 8.804 ppm2 9.507 CV 1 OR { 203} (( segid " A" and resid 256 and name HN )) (( segid " A" and resid 211 and name HN )) ASSI { 204} (( segid " A" and resid 160 and name HN )) (( segid " A" and resid 159 and name HN )) 6.000 4.500 0.000 peak 204 spectrum 1 weight 0.10000E+01 volume 0.48106E-03 ppm1 8.913 ppm2 8.616 CV 1 ASSI { 205} (( segid " A" and resid 257 and name HN )) ( segid " A" and resid 257 and name HD% ) 6.000 4.500 0.000 peak 205 spectrum 1 weight 0.10000E+01 volume 0.12532E-02 ppm1 8.808 ppm2 6.924 CV 1 ASSI { 206} (( segid " A" and resid 160 and name HN )) ( segid " A" and resid 160 and name HD% ) 6.000 4.500 0.000 peak 206 spectrum 1 weight 0.10000E+01 volume 0.17316E-02 ppm1 8.915 ppm2 6.779 CV 1 ASSI { 207} (( segid " A" and resid 257 and name HN )) ( segid " A" and resid 257 and name HE% ) 6.000 4.500 0.000 peak 207 spectrum 1 weight 0.10000E+01 volume 0.49708E-03 ppm1 8.809 ppm2 6.614 CV 1 OR { 207} (( segid " A" and resid 256 and name HN )) ( segid " A" and resid 257 and name HE% ) OR { 207} (( segid " A" and resid 257 and name HN )) (( segid " A" and resid 209 and name HD22)) ASSI { 208} (( segid " A" and resid 257 and name HN )) (( segid " A" and resid 256 and name HA )) 6.000 4.500 0.000 peak 208 spectrum 1 weight 0.10000E+01 volume 0.34155E-02 ppm1 8.806 ppm2 5.001 CV 1 ASSI { 209} (( segid " A" and resid 160 and name HN )) (( segid " A" and resid 159 and name HA )) 6.000 4.500 0.000 peak 209 spectrum 1 weight 0.10000E+01 volume 0.29863E-02 ppm1 8.916 ppm2 4.989 CV 1 ASSI { 210} (( segid " A" and resid 160 and name HN )) (( segid " A" and resid 112 and name HB1 )) 6.000 4.500 0.000 peak 210 spectrum 1 weight 0.10000E+01 volume 0.88391E-03 ppm1 8.915 ppm2 3.548 CV 1 ASSI { 211} (( segid " A" and resid 257 and name HN )) (( segid " A" and resid 257 and name HB2 )) 6.000 4.500 0.000 peak 211 spectrum 1 weight 0.10000E+01 volume 0.13760E-02 ppm1 8.805 ppm2 3.540 CV 1 ASSI { 212} (( segid " A" and resid 160 and name HN )) (( segid " A" and resid 160 and name HB1 )) 6.000 4.500 0.000 peak 212 spectrum 1 weight 0.10000E+01 volume 0.11872E-02 ppm1 8.920 ppm2 3.079 CV 1 ASSI { 213} (( segid " A" and resid 160 and name HN )) (( segid " A" and resid 160 and name HB2 )) 6.000 4.500 0.000 peak 213 spectrum 1 weight 0.10000E+01 volume 0.11948E-02 ppm1 8.913 ppm2 2.728 CV 1 ASSI { 214} (( segid " A" and resid 257 and name HN )) (( segid " A" and resid 257 and name HB1 )) 6.000 4.500 0.000 peak 214 spectrum 1 weight 0.10000E+01 volume 0.13802E-02 ppm1 8.806 ppm2 2.717 CV 1 ASSI { 215} (( segid " A" and resid 160 and name HN )) (( segid " A" and resid 159 and name HB2 )) 6.000 4.500 0.000 peak 215 spectrum 1 weight 0.10000E+01 volume 0.17251E-02 ppm1 8.917 ppm2 2.003 CV 1 ASSI { 216} (( segid " A" and resid 160 and name HN )) (( segid " A" and resid 159 and name HB1 )) 6.000 4.500 0.000 peak 216 spectrum 1 weight 0.10000E+01 volume 0.87437E-03 ppm1 8.911 ppm2 1.671 CV 1 ASSI { 217} (( segid " A" and resid 160 and name HN )) ( segid " A" and resid 165 and name HB% ) 6.000 4.500 0.000 peak 217 spectrum 1 weight 0.10000E+01 volume 0.41391E-03 ppm1 8.918 ppm2 0.615 CV 1 ASSI { 218} (( segid " A" and resid 115 and name HN )) (( segid " A" and resid 114 and name HA )) 6.000 4.500 0.000 peak 218 spectrum 1 weight 0.10000E+01 volume 0.36539E-02 ppm1 8.790 ppm2 4.695 CV 1 ASSI { 219} (( segid " A" and resid 115 and name HN )) (( segid " A" and resid 115 and name HB2 )) 6.000 4.500 0.000 peak 219 spectrum 1 weight 0.10000E+01 volume 0.20841E-02 ppm1 8.790 ppm2 2.370 CV 1 ASSI { 220} (( segid " A" and resid 115 and name HN )) ( segid " A" and resid 114 and name HG2%) 6.000 4.500 0.000 peak 220 spectrum 1 weight 0.10000E+01 volume 0.18910E-02 ppm1 8.790 ppm2 0.892 CV 1 OR { 220} (( segid " A" and resid 115 and name HN )) ( segid " A" and resid 114 and name HG1%) ASSI { 221} (( segid " A" and resid 212 and name HN )) (( segid " A" and resid 283 and name HN )) 6.000 4.500 0.000 peak 221 spectrum 1 weight 0.10000E+01 volume 0.10983E-02 ppm1 9.140 ppm2 8.996 CV 1 ASSI { 222} (( segid " A" and resid 212 and name HN )) (( segid " A" and resid 285 and name HN )) 6.000 4.500 0.000 peak 222 spectrum 1 weight 0.10000E+01 volume 0.80608E-03 ppm1 9.137 ppm2 7.678 CV 1 ASSI { 225} (( segid " A" and resid 212 and name HN )) (( segid " A" and resid 211 and name HA )) 6.000 4.500 0.000 peak 225 spectrum 1 weight 0.10000E+01 volume 0.29603E-02 ppm1 9.139 ppm2 5.051 CV 1 ASSI { 226} (( segid " A" and resid 212 and name HN )) (( segid " A" and resid 212 and name HA )) 6.000 4.500 0.000 peak 226 spectrum 1 weight 0.10000E+01 volume 0.82668E-03 ppm1 9.141 ppm2 4.706 CV 1 ASSI { 227} (( segid " A" and resid 212 and name HN )) (( segid " A" and resid 284 and name HA )) 6.000 4.500 0.000 peak 227 spectrum 1 weight 0.10000E+01 volume 0.91023E-03 ppm1 9.137 ppm2 4.386 CV 1 ASSI { 228} (( segid " A" and resid 212 and name HN )) (( segid " A" and resid 212 and name HB2 )) 6.000 4.500 0.000 peak 228 spectrum 1 weight 0.10000E+01 volume 0.10586E-02 ppm1 9.139 ppm2 2.480 CV 1 ASSI { 229} (( segid " A" and resid 212 and name HN )) (( segid " A" and resid 212 and name HB1 )) 6.000 4.500 0.000 peak 229 spectrum 1 weight 0.10000E+01 volume 0.16621E-02 ppm1 9.137 ppm2 2.290 CV 1 ASSI { 230} (( segid " A" and resid 212 and name HN )) (( segid " A" and resid 211 and name HB )) 6.000 4.500 0.000 peak 230 spectrum 1 weight 0.10000E+01 volume 0.27479E-02 ppm1 9.139 ppm2 1.963 CV 1 ASSI { 231} (( segid " A" and resid 212 and name HN )) (( segid " A" and resid 211 and name HG12)) 6.000 4.500 0.000 peak 231 spectrum 1 weight 0.10000E+01 volume 0.72254E-03 ppm1 9.140 ppm2 1.223 CV 1 ASSI { 232} (( segid " A" and resid 212 and name HN )) ( segid " A" and resid 211 and name HG2%) 6.000 4.500 0.000 peak 232 spectrum 1 weight 0.10000E+01 volume 0.31118E-02 ppm1 9.138 ppm2 0.949 CV 1 OR { 232} (( segid " A" and resid 212 and name HN )) ( segid " A" and resid 282 and name HG2%) OR { 232} (( segid " A" and resid 212 and name HN )) ( segid " A" and resid 267 and name HG1%) ASSI { 233} (( segid " A" and resid 212 and name HN )) ( segid " A" and resid 211 and name HD1%) 6.000 4.500 0.000 peak 233 spectrum 1 weight 0.10000E+01 volume 0.11094E-02 ppm1 9.139 ppm2 0.709 CV 1 ASSI { 234} (( segid " A" and resid 212 and name HN )) ( segid " A" and resid 212 and name HD% ) 6.000 4.500 0.000 peak 234 spectrum 1 weight 0.10000E+01 volume 0.47114E-03 ppm1 9.139 ppm2 6.416 CV 1 ASSI { 235} (( segid " A" and resid 212 and name HN )) ( segid " A" and resid 285 and name HB% ) 6.000 4.500 0.000 peak 235 spectrum 1 weight 0.10000E+01 volume 0.47800E-03 ppm1 9.134 ppm2 1.500 CV 1 OR { 235} (( segid " A" and resid 212 and name HN )) (( segid " A" and resid 284 and name HG1 )) ASSI { 236} (( segid " A" and resid 158 and name HN )) (( segid " A" and resid 114 and name HN )) 6.000 4.500 0.000 peak 236 spectrum 1 weight 0.10000E+01 volume 0.12105E-02 ppm1 8.873 ppm2 9.056 CV 1 ASSI { 239} (( segid " A" and resid 158 and name HN )) ( segid " A" and resid 157 and name HD% ) 6.000 4.500 0.000 peak 239 spectrum 1 weight 0.10000E+01 volume 0.52378E-03 ppm1 8.870 ppm2 7.161 CV 1 ASSI { 240} (( segid " A" and resid 158 and name HN )) (( segid " A" and resid 157 and name HA )) 6.000 4.500 0.000 peak 240 spectrum 1 weight 0.10000E+01 volume 0.47304E-02 ppm1 8.873 ppm2 5.427 CV 1 ASSI { 241} (( segid " A" and resid 158 and name HN )) (( segid " A" and resid 115 and name HA )) 6.000 4.500 0.000 peak 241 spectrum 1 weight 0.10000E+01 volume 0.56918E-03 ppm1 8.875 ppm2 4.452 CV 1 ASSI { 242} (( segid " A" and resid 158 and name HN )) (( segid " A" and resid 158 and name HA )) 6.000 4.500 0.000 peak 242 spectrum 1 weight 0.10000E+01 volume 0.79426E-03 ppm1 8.872 ppm2 4.058 CV 1 ASSI { 243} (( segid " A" and resid 158 and name HN )) (( segid " A" and resid 157 and name HB1 )) 6.000 4.500 0.000 peak 243 spectrum 1 weight 0.10000E+01 volume 0.54972E-03 ppm1 8.876 ppm2 2.894 CV 1 ASSI { 244} (( segid " A" and resid 158 and name HN )) (( segid " A" and resid 157 and name HB2 )) 6.000 4.500 0.000 peak 244 spectrum 1 weight 0.10000E+01 volume 0.94265E-03 ppm1 8.874 ppm2 2.712 CV 1 ASSI { 245} (( segid " A" and resid 158 and name HN )) (( segid " A" and resid 158 and name HB )) 6.000 4.500 0.000 peak 245 spectrum 1 weight 0.10000E+01 volume 0.25777E-02 ppm1 8.874 ppm2 1.407 CV 1 ASSI { 246} (( segid " A" and resid 158 and name HN )) ( segid " A" and resid 114 and name HG1%) 6.000 4.500 0.000 peak 246 spectrum 1 weight 0.10000E+01 volume 0.15626E-02 ppm1 8.873 ppm2 0.859 CV 1 ASSI { 247} (( segid " A" and resid 158 and name HN )) ( segid " A" and resid 116 and name HG1%) 6.000 4.500 0.000 peak 247 spectrum 1 weight 0.10000E+01 volume 0.71491E-03 ppm1 8.875 ppm2 0.262 CV 1 ASSI { 248} (( segid " A" and resid 158 and name HN )) ( segid " A" and resid 158 and name HG2%) 6.000 4.500 0.000 peak 248 spectrum 1 weight 0.10000E+01 volume 0.19525E-02 ppm1 8.872 ppm2 0.011 CV 1 ASSI { 249} (( segid " A" and resid 213 and name HN )) (( segid " A" and resid 212 and name HN )) 6.000 4.500 0.000 peak 249 spectrum 1 weight 0.10000E+01 volume 0.44787E-03 ppm1 7.605 ppm2 9.137 CV 1 ASSI { 250} (( segid " A" and resid 143 and name HN )) (( segid " A" and resid 142 and name HN )) 6.000 4.500 0.000 peak 250 spectrum 1 weight 0.10000E+01 volume 0.38454E-03 ppm1 8.569 ppm2 8.903 CV 1 ASSI { 251} (( segid " A" and resid 213 and name HN )) (( segid " A" and resid 214 and name HN )) 6.000 4.500 0.000 peak 251 spectrum 1 weight 0.10000E+01 volume 0.74848E-03 ppm1 7.616 ppm2 8.910 CV 1 ASSI { 252} (( segid " A" and resid 213 and name HN )) (( segid " A" and resid 253 and name HN )) 6.000 4.500 0.000 peak 252 spectrum 1 weight 0.10000E+01 volume 0.18636E-02 ppm1 7.612 ppm2 8.752 CV 1 ASSI { 253} (( segid " A" and resid 213 and name HN )) ( segid " A" and resid 254 and name HD% ) 6.000 4.500 0.000 peak 253 spectrum 1 weight 0.10000E+01 volume 0.57376E-03 ppm1 7.608 ppm2 7.242 CV 1 ASSI { 254} (( segid " A" and resid 213 and name HN )) ( segid " A" and resid 212 and name HD% ) 6.000 4.500 0.000 peak 254 spectrum 1 weight 0.10000E+01 volume 0.45511E-03 ppm1 7.612 ppm2 6.416 CV 1 ASSI { 256} (( segid " A" and resid 213 and name HN )) (( segid " A" and resid 254 and name HA )) 6.000 4.500 0.000 peak 256 spectrum 1 weight 0.10000E+01 volume 0.90794E-03 ppm1 7.613 ppm2 5.707 CV 1 ASSI { 257} (( segid " A" and resid 143 and name HN )) (( segid " A" and resid 142 and name HA )) 6.000 4.500 0.000 peak 257 spectrum 1 weight 0.10000E+01 volume 0.35803E-02 ppm1 8.571 ppm2 4.998 CV 1 ASSI { 258} (( segid " A" and resid 213 and name HN )) (( segid " A" and resid 212 and name HA )) 6.000 4.500 0.000 peak 258 spectrum 1 weight 0.10000E+01 volume 0.56880E-02 ppm1 7.611 ppm2 4.686 CV 1 ASSI { 259} (( segid " A" and resid 213 and name HN )) (( segid " A" and resid 213 and name HA )) 6.000 4.500 0.000 peak 259 spectrum 1 weight 0.10000E+01 volume 0.16881E-02 ppm1 7.612 ppm2 4.584 CV 1 ASSI { 260} (( segid " A" and resid 143 and name HN )) (( segid " A" and resid 143 and name HA )) 6.000 4.500 0.000 peak 260 spectrum 1 weight 0.10000E+01 volume 0.66264E-03 ppm1 8.574 ppm2 4.381 CV 1 ASSI { 261} (( segid " A" and resid 143 and name HN )) (( segid " A" and resid 142 and name HB2 )) 6.000 4.500 0.000 peak 261 spectrum 1 weight 0.10000E+01 volume 0.41010E-03 ppm1 8.565 ppm2 2.601 CV 1 ASSI { 262} (( segid " A" and resid 213 and name HN )) (( segid " A" and resid 212 and name HB2 )) 6.000 4.500 0.000 peak 262 spectrum 1 weight 0.10000E+01 volume 0.76717E-03 ppm1 7.612 ppm2 2.484 CV 1 ASSI { 263} (( segid " A" and resid 213 and name HN )) (( segid " A" and resid 212 and name HB1 )) 6.000 4.500 0.000 peak 263 spectrum 1 weight 0.10000E+01 volume 0.62945E-03 ppm1 7.604 ppm2 2.279 CV 1 ASSI { 264} (( segid " A" and resid 143 and name HN )) (( segid " A" and resid 143 and name HG2 )) 6.000 4.500 0.000 peak 264 spectrum 1 weight 0.10000E+01 volume 0.69125E-03 ppm1 8.569 ppm2 2.224 CV 1 ASSI { 265} (( segid " A" and resid 143 and name HN )) (( segid " A" and resid 143 and name HB1 )) 6.000 4.500 0.000 peak 265 spectrum 1 weight 0.10000E+01 volume 0.99416E-03 ppm1 8.572 ppm2 1.624 CV 1 OR { 265} (( segid " A" and resid 143 and name HN )) (( segid " A" and resid 143 and name HB2 )) ASSI { 266} (( segid " A" and resid 213 and name HN )) (( segid " A" and resid 213 and name HB )) 6.000 4.500 0.000 peak 266 spectrum 1 weight 0.10000E+01 volume 0.26418E-02 ppm1 7.612 ppm2 1.202 CV 1 ASSI { 267} (( segid " A" and resid 213 and name HN )) ( segid " A" and resid 282 and name HG2%) 6.000 4.500 0.000 peak 267 spectrum 1 weight 0.10000E+01 volume 0.91099E-03 ppm1 7.612 ppm2 0.968 CV 1 OR { 267} (( segid " A" and resid 213 and name HN )) ( segid " A" and resid 168 and name HD2%) OR { 267} (( segid " A" and resid 213 and name HN )) ( segid " A" and resid 282 and name HG1%) ASSI { 268} (( segid " A" and resid 213 and name HN )) ( segid " A" and resid 213 and name HG1%) 6.000 4.500 0.000 peak 268 spectrum 1 weight 0.10000E+01 volume 0.30988E-02 ppm1 7.611 ppm2 0.350 CV 1 ASSI { 269} (( segid " A" and resid 243 and name HN )) (( segid " A" and resid 250 and name HN )) 6.000 4.500 0.000 peak 269 spectrum 1 weight 0.10000E+01 volume 0.81905E-03 ppm1 8.395 ppm2 8.580 CV 1 ASSI { 270} (( segid " A" and resid 243 and name HN )) (( segid " A" and resid 248 and name HN )) 6.000 4.500 0.000 peak 270 spectrum 1 weight 0.10000E+01 volume 0.49937E-03 ppm1 8.397 ppm2 7.894 CV 1 ASSI { 271} (( segid " A" and resid 280 and name HN )) ( segid " A" and resid 279 and name HD% ) 6.000 4.500 0.000 peak 271 spectrum 1 weight 0.10000E+01 volume 0.38492E-03 ppm1 9.216 ppm2 6.956 CV 1 OR { 271} (( segid " A" and resid 272 and name HN )) ( segid " A" and resid 279 and name HD% ) ASSI { 272} (( segid " A" and resid 243 and name HN )) (( segid " A" and resid 249 and name HA )) 6.000 4.500 0.000 peak 272 spectrum 1 weight 0.10000E+01 volume 0.15061E-02 ppm1 8.399 ppm2 5.348 CV 1 ASSI { 273} (( segid " A" and resid 243 and name HN )) (( segid " A" and resid 243 and name HA )) 6.000 4.500 0.000 peak 273 spectrum 1 weight 0.10000E+01 volume 0.19277E-02 ppm1 8.400 ppm2 4.893 CV 1 ASSI { 274} (( segid " A" and resid 280 and name HN )) (( segid " A" and resid 279 and name HA )) 6.000 4.500 0.000 peak 274 spectrum 1 weight 0.10000E+01 volume 0.22588E-02 ppm1 9.216 ppm2 4.785 CV 1 ASSI { 275} (( segid " A" and resid 243 and name HN )) (( segid " A" and resid 242 and name HA )) 6.000 4.500 0.000 peak 275 spectrum 1 weight 0.10000E+01 volume 0.36798E-02 ppm1 8.399 ppm2 4.691 CV 1 ASSI { 276} (( segid " A" and resid 243 and name HN )) (( segid " A" and resid 248 and name HA )) 6.000 4.500 0.000 peak 276 spectrum 1 weight 0.10000E+01 volume 0.52454E-03 ppm1 8.397 ppm2 4.395 CV 1 OR { 276} (( segid " A" and resid 243 and name HN )) (( segid " A" and resid 250 and name HA )) ASSI { 277} (( segid " A" and resid 280 and name HN )) (( segid " A" and resid 274 and name HA )) 6.000 4.500 0.000 peak 277 spectrum 1 weight 0.10000E+01 volume 0.62869E-03 ppm1 9.218 ppm2 4.296 CV 1 OR { 277} (( segid " A" and resid 280 and name HN )) (( segid " A" and resid 273 and name HA )) ASSI { 278} (( segid " A" and resid 243 and name HN )) (( segid " A" and resid 243 and name HB1 )) 6.000 4.500 0.000 peak 278 spectrum 1 weight 0.10000E+01 volume 0.29428E-02 ppm1 8.398 ppm2 3.132 CV 1 ASSI { 279} (( segid " A" and resid 243 and name HN )) (( segid " A" and resid 250 and name HE2 )) 6.000 4.500 0.000 peak 279 spectrum 1 weight 0.10000E+01 volume 0.90260E-03 ppm1 8.399 ppm2 2.943 CV 1 OR { 279} (( segid " A" and resid 243 and name HN )) (( segid " A" and resid 242 and name HD1 )) ASSI { 280} (( segid " A" and resid 243 and name HN )) (( segid " A" and resid 243 and name HB2 )) 6.000 4.500 0.000 peak 280 spectrum 1 weight 0.10000E+01 volume 0.30122E-02 ppm1 8.398 ppm2 2.380 CV 1 ASSI { 281} (( segid " A" and resid 243 and name HN )) (( segid " A" and resid 242 and name HB1 )) 6.000 4.500 0.000 peak 281 spectrum 1 weight 0.10000E+01 volume 0.18224E-02 ppm1 8.398 ppm2 1.589 CV 1 ASSI { 282} (( segid " A" and resid 280 and name HN )) (( segid " A" and resid 280 and name HB1 )) 6.000 4.500 0.000 peak 282 spectrum 1 weight 0.10000E+01 volume 0.68248E-03 ppm1 9.218 ppm2 1.342 CV 1 ASSI { 283} (( segid " A" and resid 243 and name HN )) (( segid " A" and resid 242 and name HB2 )) 6.000 4.500 0.000 peak 283 spectrum 1 weight 0.10000E+01 volume 0.31206E-02 ppm1 8.399 ppm2 1.331 CV 1 ASSI { 284} (( segid " A" and resid 272 and name HN )) (( segid " A" and resid 282 and name HN )) 6.000 4.500 0.000 peak 284 spectrum 1 weight 0.10000E+01 volume 0.65349E-03 ppm1 9.208 ppm2 8.658 CV 1 OR { 284} (( segid " A" and resid 280 and name HN )) (( segid " A" and resid 282 and name HN )) ASSI { 285} (( segid " A" and resid 272 and name HN )) (( segid " A" and resid 273 and name HN )) 6.000 4.500 0.000 peak 285 spectrum 1 weight 0.10000E+01 volume 0.13222E-02 ppm1 9.209 ppm2 7.568 CV 1 ASSI { 286} (( segid " A" and resid 280 and name HN )) (( segid " A" and resid 281 and name HA )) 6.000 4.500 0.000 peak 286 spectrum 1 weight 0.10000E+01 volume 0.46045E-03 ppm1 9.207 ppm2 5.244 CV 1 OR { 286} (( segid " A" and resid 272 and name HN )) (( segid " A" and resid 281 and name HA )) ASSI { 287} (( segid " A" and resid 280 and name HN )) (( segid " A" and resid 280 and name HA )) 6.000 4.500 0.000 peak 287 spectrum 1 weight 0.10000E+01 volume 0.36798E-02 ppm1 9.208 ppm2 4.436 CV 1 OR { 287} (( segid " A" and resid 272 and name HN )) (( segid " A" and resid 271 and name HA )) ASSI { 288} (( segid " A" and resid 272 and name HN )) (( segid " A" and resid 272 and name HA )) 6.000 4.500 0.000 peak 288 spectrum 1 weight 0.10000E+01 volume 0.26574E-02 ppm1 9.207 ppm2 3.865 CV 1 ASSI { 289} (( segid " A" and resid 272 and name HN )) (( segid " A" and resid 271 and name HB2 )) 6.000 4.500 0.000 peak 289 spectrum 1 weight 0.10000E+01 volume 0.77137E-03 ppm1 9.210 ppm2 2.904 CV 1 ASSI { 290} (( segid " A" and resid 280 and name HN )) (( segid " A" and resid 279 and name HB2 )) 6.000 4.500 0.000 peak 290 spectrum 1 weight 0.10000E+01 volume 0.73246E-03 ppm1 9.211 ppm2 2.720 CV 1 ASSI { 291} (( segid " A" and resid 280 and name HN )) (( segid " A" and resid 279 and name HB1 )) 6.000 4.500 0.000 peak 291 spectrum 1 weight 0.10000E+01 volume 0.73246E-03 ppm1 9.211 ppm2 2.513 CV 1 ASSI { 292} (( segid " A" and resid 280 and name HN )) (( segid " A" and resid 280 and name HB2 )) 6.000 4.500 0.000 peak 292 spectrum 1 weight 0.10000E+01 volume 0.27002E-02 ppm1 9.220 ppm2 2.227 CV 1 ASSI { 293} (( segid " A" and resid 272 and name HN )) (( segid " A" and resid 272 and name HB2 )) 6.000 4.500 0.000 peak 293 spectrum 1 weight 0.10000E+01 volume 0.68591E-03 ppm1 9.211 ppm2 2.021 CV 1 ASSI { 294} (( segid " A" and resid 280 and name HN )) (( segid " A" and resid 281 and name HB2 )) 6.000 4.500 0.000 peak 294 spectrum 1 weight 0.10000E+01 volume 0.55239E-03 ppm1 9.204 ppm2 1.740 CV 1 OR { 294} (( segid " A" and resid 272 and name HN )) (( segid " A" and resid 282 and name HB )) OR { 294} (( segid " A" and resid 280 and name HN )) (( segid " A" and resid 281 and name HB1 )) OR { 294} (( segid " A" and resid 280 and name HN )) (( segid " A" and resid 282 and name HB )) ASSI { 295} (( segid " A" and resid 272 and name HN )) (( segid " A" and resid 272 and name HB1 )) 6.000 4.500 0.000 peak 295 spectrum 1 weight 0.10000E+01 volume 0.13867E-02 ppm1 9.207 ppm2 1.503 CV 1 ASSI { 296} (( segid " A" and resid 272 and name HN )) ( segid " A" and resid 282 and name HG1%) 6.000 4.500 0.000 peak 296 spectrum 1 weight 0.10000E+01 volume 0.14302E-02 ppm1 9.208 ppm2 0.973 CV 1 OR { 296} (( segid " A" and resid 272 and name HN )) ( segid " A" and resid 282 and name HG2%) OR { 296} (( segid " A" and resid 280 and name HN )) (( segid " A" and resid 281 and name HG2 )) OR { 296} (( segid " A" and resid 280 and name HN )) ( segid " A" and resid 282 and name HG1%) OR { 296} (( segid " A" and resid 280 and name HN )) ( segid " A" and resid 228 and name HG1%) ASSI { 297} (( segid " A" and resid 280 and name HN )) ( segid " A" and resid 280 and name HD2%) 6.000 4.500 0.000 peak 297 spectrum 1 weight 0.10000E+01 volume 0.11078E-02 ppm1 9.213 ppm2 0.832 CV 1 ASSI { 298} (( segid " A" and resid 272 and name HN )) ( segid " A" and resid 272 and name HD2%) 6.000 4.500 0.000 peak 298 spectrum 1 weight 0.10000E+01 volume 0.18441E-02 ppm1 9.209 ppm2 0.676 CV 1 ASSI { 299} (( segid " A" and resid 198 and name HN )) (( segid " A" and resid 199 and name HN )) 6.000 4.500 0.000 peak 299 spectrum 1 weight 0.10000E+01 volume 0.16232E-02 ppm1 7.946 ppm2 8.620 CV 1 ASSI { 300} (( segid " A" and resid 177 and name HN )) (( segid " A" and resid 178 and name HN )) 6.000 4.500 0.000 peak 300 spectrum 1 weight 0.10000E+01 volume 0.44558E-03 ppm1 8.234 ppm2 8.522 CV 1 ASSI { 301} (( segid " A" and resid 226 and name HN )) (( segid " A" and resid 227 and name HN )) 6.000 4.500 0.000 peak 301 spectrum 1 weight 0.10000E+01 volume 0.20383E-02 ppm1 8.343 ppm2 7.894 CV 1 ASSI { 302} (( segid " A" and resid 226 and name HN )) (( segid " A" and resid 224 and name HN )) 6.000 4.500 0.000 peak 302 spectrum 1 weight 0.10000E+01 volume 0.61343E-03 ppm1 8.344 ppm2 7.612 CV 1 ASSI { 303} (( segid " A" and resid 198 and name HN )) (( segid " A" and resid 200 and name HN )) 6.000 4.500 0.000 peak 303 spectrum 1 weight 0.10000E+01 volume 0.52226E-03 ppm1 7.946 ppm2 7.627 CV 1 ASSI { 304} (( segid " A" and resid 177 and name HN )) (( segid " A" and resid 176 and name HN )) 6.000 4.500 0.000 peak 304 spectrum 1 weight 0.10000E+01 volume 0.84194E-03 ppm1 8.236 ppm2 7.358 CV 1 ASSI { 305} (( segid " A" and resid 226 and name HN )) (( segid " A" and resid 225 and name HN )) 6.000 4.500 0.000 peak 305 spectrum 1 weight 0.10000E+01 volume 0.18700E-02 ppm1 8.344 ppm2 7.305 CV 1 ASSI { 306} (( segid " A" and resid 198 and name HN )) (( segid " A" and resid 197 and name HN )) 6.000 4.500 0.000 peak 306 spectrum 1 weight 0.10000E+01 volume 0.25716E-02 ppm1 7.944 ppm2 7.124 CV 1 ASSI { 307} (( segid " A" and resid 255 and name HN )) (( segid " A" and resid 212 and name HA )) 6.000 4.500 0.000 peak 307 spectrum 1 weight 0.10000E+01 volume 0.92091E-03 ppm1 8.743 ppm2 4.716 CV 1 ASSI { 308} (( segid " A" and resid 226 and name HN )) (( segid " A" and resid 223 and name HA )) 6.000 4.500 0.000 peak 308 spectrum 1 weight 0.10000E+01 volume 0.18311E-02 ppm1 8.344 ppm2 4.338 CV 1 ASSI { 309} (( segid " A" and resid 177 and name HN )) (( segid " A" and resid 176 and name HA )) 6.000 4.500 0.000 peak 309 spectrum 1 weight 0.10000E+01 volume 0.66837E-02 ppm1 8.233 ppm2 4.025 CV 1 ASSI { 310} (( segid " A" and resid 198 and name HN )) (( segid " A" and resid 197 and name HA )) 6.000 4.500 0.000 peak 310 spectrum 1 weight 0.10000E+01 volume 0.18052E-02 ppm1 7.944 ppm2 3.850 CV 1 ASSI { 311} (( segid " A" and resid 226 and name HN )) (( segid " A" and resid 225 and name HA )) 6.000 4.500 0.000 peak 311 spectrum 1 weight 0.10000E+01 volume 0.63174E-03 ppm1 8.339 ppm2 3.804 CV 1 ASSI { 312} (( segid " A" and resid 226 and name HN )) (( segid " A" and resid 226 and name HA )) 6.000 4.500 0.000 peak 312 spectrum 1 weight 0.10000E+01 volume 0.22466E-02 ppm1 8.343 ppm2 3.645 CV 1 ASSI { 313} (( segid " A" and resid 198 and name HN )) (( segid " A" and resid 198 and name HA )) 6.000 4.500 0.000 peak 313 spectrum 1 weight 0.10000E+01 volume 0.16923E-02 ppm1 7.944 ppm2 3.517 CV 1 ASSI { 314} (( segid " A" and resid 226 and name HN )) (( segid " A" and resid 226 and name HE2 )) 6.000 4.500 0.000 peak 314 spectrum 1 weight 0.10000E+01 volume 0.50013E-03 ppm1 8.342 ppm2 2.798 CV 1 OR { 314} (( segid " A" and resid 226 and name HN )) (( segid " A" and resid 226 and name HE1 )) ASSI { 315} (( segid " A" and resid 198 and name HN )) (( segid " A" and resid 196 and name HB2 )) 6.000 4.500 0.000 peak 315 spectrum 1 weight 0.10000E+01 volume 0.48258E-03 ppm1 7.946 ppm2 2.348 CV 1 OR { 315} (( segid " A" and resid 198 and name HN )) (( segid " A" and resid 195 and name HG2 )) ASSI { 316} (( segid " A" and resid 177 and name HN )) (( segid " A" and resid 177 and name HG2 )) 6.000 4.500 0.000 peak 316 spectrum 1 weight 0.10000E+01 volume 0.16534E-02 ppm1 8.233 ppm2 2.266 CV 1 ASSI { 317} (( segid " A" and resid 177 and name HN )) (( segid " A" and resid 176 and name HB )) 6.000 4.500 0.000 peak 317 spectrum 1 weight 0.10000E+01 volume 0.22466E-02 ppm1 8.233 ppm2 2.046 CV 1 ASSI { 318} (( segid " A" and resid 226 and name HN )) (( segid " A" and resid 226 and name HB1 )) 6.000 4.500 0.000 peak 318 spectrum 1 weight 0.10000E+01 volume 0.49326E-02 ppm1 8.344 ppm2 1.951 CV 1 OR { 318} (( segid " A" and resid 226 and name HN )) (( segid " A" and resid 226 and name HB2 )) ASSI { 319} (( segid " A" and resid 198 and name HN )) (( segid " A" and resid 198 and name HB )) 6.000 4.500 0.000 peak 319 spectrum 1 weight 0.10000E+01 volume 0.42841E-02 ppm1 7.944 ppm2 1.968 CV 1 ASSI { 320} (( segid " A" and resid 177 and name HN )) (( segid " A" and resid 177 and name HB1 )) 6.000 4.500 0.000 peak 320 spectrum 1 weight 0.10000E+01 volume 0.32594E-02 ppm1 8.233 ppm2 1.893 CV 1 ASSI { 321} (( segid " A" and resid 226 and name HN )) (( segid " A" and resid 225 and name HB )) 6.000 4.500 0.000 peak 321 spectrum 1 weight 0.10000E+01 volume 0.24766E-02 ppm1 8.342 ppm2 1.819 CV 1 ASSI { 322} (( segid " A" and resid 177 and name HN )) (( segid " A" and resid 177 and name HB2 )) 6.000 4.500 0.000 peak 322 spectrum 1 weight 0.10000E+01 volume 0.24610E-02 ppm1 8.233 ppm2 1.763 CV 1 ASSI { 323} (( segid " A" and resid 226 and name HN )) (( segid " A" and resid 226 and name HD2 )) 6.000 4.500 0.000 peak 323 spectrum 1 weight 0.10000E+01 volume 0.12425E-02 ppm1 8.343 ppm2 1.613 CV 1 OR { 323} (( segid " A" and resid 226 and name HN )) (( segid " A" and resid 226 and name HD1 )) ASSI { 324} (( segid " A" and resid 198 and name HN )) (( segid " A" and resid 198 and name HG12)) 6.000 4.500 0.000 peak 324 spectrum 1 weight 0.10000E+01 volume 0.18788E-02 ppm1 7.945 ppm2 1.599 CV 1 ASSI { 325} (( segid " A" and resid 226 and name HN )) (( segid " A" and resid 225 and name HG12)) 6.000 4.500 0.000 peak 325 spectrum 1 weight 0.10000E+01 volume 0.56689E-03 ppm1 8.346 ppm2 1.508 CV 1 ASSI { 326} (( segid " A" and resid 198 and name HN )) ( segid " A" and resid 194 and name HB% ) 6.000 4.500 0.000 peak 326 spectrum 1 weight 0.10000E+01 volume 0.17140E-02 ppm1 7.945 ppm2 1.431 CV 1 OR { 326} (( segid " A" and resid 198 and name HN )) (( segid " A" and resid 197 and name HG12)) OR { 326} (( segid " A" and resid 198 and name HN )) ( segid " A" and resid 107 and name HB% ) ASSI { 327} (( segid " A" and resid 226 and name HN )) (( segid " A" and resid 226 and name HG2 )) 6.000 4.500 0.000 peak 327 spectrum 1 weight 0.10000E+01 volume 0.63403E-03 ppm1 8.343 ppm2 1.313 CV 1 ASSI { 328} (( segid " A" and resid 198 and name HN )) (( segid " A" and resid 198 and name HG11)) 6.000 4.500 0.000 peak 328 spectrum 1 weight 0.10000E+01 volume 0.17140E-02 ppm1 7.943 ppm2 1.195 CV 1 ASSI { 329} (( segid " A" and resid 226 and name HN )) (( segid " A" and resid 226 and name HG1 )) 6.000 4.500 0.000 peak 329 spectrum 1 weight 0.10000E+01 volume 0.75382E-03 ppm1 8.345 ppm2 1.168 CV 1 ASSI { 330} (( segid " A" and resid 226 and name HN )) (( segid " A" and resid 225 and name HG11)) 6.000 4.500 0.000 peak 330 spectrum 1 weight 0.10000E+01 volume 0.60504E-03 ppm1 8.341 ppm2 1.000 CV 1 ASSI { 331} (( segid " A" and resid 177 and name HN )) ( segid " A" and resid 176 and name HG1%) 6.000 4.500 0.000 peak 331 spectrum 1 weight 0.10000E+01 volume 0.21821E-02 ppm1 8.234 ppm2 0.994 CV 1 ASSI { 332} (( segid " A" and resid 177 and name HN )) ( segid " A" and resid 176 and name HG2%) 6.000 4.500 0.000 peak 332 spectrum 1 weight 0.10000E+01 volume 0.34414E-02 ppm1 8.233 ppm2 0.866 CV 1 ASSI { 333} (( segid " A" and resid 198 and name HN )) ( segid " A" and resid 198 and name HG2%) 6.000 4.500 0.000 peak 333 spectrum 1 weight 0.10000E+01 volume 0.20596E-02 ppm1 7.946 ppm2 0.881 CV 1 ASSI { 334} (( segid " A" and resid 198 and name HN )) ( segid " A" and resid 198 and name HD1%) 6.000 4.500 0.000 peak 334 spectrum 1 weight 0.10000E+01 volume 0.18288E-02 ppm1 7.945 ppm2 0.713 CV 1 ASSI { 335} (( segid " A" and resid 226 and name HN )) ( segid " A" and resid 225 and name HG2%) 6.000 4.500 0.000 peak 335 spectrum 1 weight 0.10000E+01 volume 0.21607E-02 ppm1 8.343 ppm2 0.597 CV 1 ASSI { 336} (( segid " A" and resid 255 and name HN )) (( segid " A" and resid 211 and name HN )) 6.000 4.500 0.000 peak 336 spectrum 1 weight 0.10000E+01 volume 0.82020E-03 ppm1 8.739 ppm2 9.514 CV 1 ASSI { 337} (( segid " A" and resid 255 and name HN )) ( segid " A" and resid 254 and name HD% ) 6.000 4.500 0.000 peak 337 spectrum 1 weight 0.10000E+01 volume 0.91671E-03 ppm1 8.744 ppm2 7.229 CV 1 ASSI { 338} (( segid " A" and resid 255 and name HN )) (( segid " A" and resid 254 and name HA )) 6.000 4.500 0.000 peak 338 spectrum 1 weight 0.10000E+01 volume 0.40094E-02 ppm1 8.742 ppm2 5.708 CV 1 ASSI { 339} (( segid " A" and resid 255 and name HN )) (( segid " A" and resid 255 and name HA )) 6.000 4.500 0.000 peak 339 spectrum 1 weight 0.10000E+01 volume 0.70194E-03 ppm1 8.741 ppm2 4.534 CV 1 ASSI { 340} (( segid " A" and resid 255 and name HN )) (( segid " A" and resid 254 and name HB2 )) 6.000 4.500 0.000 peak 340 spectrum 1 weight 0.10000E+01 volume 0.18529E-02 ppm1 8.742 ppm2 2.721 CV 1 ASSI { 341} (( segid " A" and resid 255 and name HN )) (( segid " A" and resid 255 and name HB )) 6.000 4.500 0.000 peak 341 spectrum 1 weight 0.10000E+01 volume 0.21485E-02 ppm1 8.740 ppm2 1.211 CV 1 ASSI { 342} (( segid " A" and resid 255 and name HN )) (( segid " A" and resid 255 and name HG11)) 6.000 4.500 0.000 peak 342 spectrum 1 weight 0.10000E+01 volume 0.15214E-02 ppm1 8.741 ppm2 1.027 CV 1 ASSI { 343} (( segid " A" and resid 255 and name HN )) ( segid " A" and resid 211 and name HD1%) 6.000 4.500 0.000 peak 343 spectrum 1 weight 0.10000E+01 volume 0.62564E-03 ppm1 8.740 ppm2 0.705 CV 1 ASSI { 344} (( segid " A" and resid 266 and name HN )) ( segid " A" and resid 211 and name HD1%) 6.000 4.500 0.000 peak 344 spectrum 1 weight 0.10000E+01 volume 0.64891E-03 ppm1 7.899 ppm2 0.706 CV 1 ASSI { 345} (( segid " A" and resid 255 and name HN )) (( segid " A" and resid 255 and name HG12)) 6.000 4.500 0.000 peak 345 spectrum 1 weight 0.10000E+01 volume 0.61419E-03 ppm1 8.738 ppm2 0.553 CV 1 ASSI { 346} (( segid " A" and resid 255 and name HN )) ( segid " A" and resid 255 and name HG2%) 6.000 4.500 0.000 peak 346 spectrum 1 weight 0.10000E+01 volume 0.58139E-03 ppm1 8.740 ppm2 0.193 CV 1 ASSI { 347} (( segid " A" and resid 255 and name HN )) ( segid " A" and resid 255 and name HD1%) 6.000 4.500 0.000 peak 347 spectrum 1 weight 0.10000E+01 volume 0.55926E-03 ppm1 8.745 ppm2 -0.154 CV 1 ASSI { 349} (( segid " A" and resid 266 and name HN )) (( segid " A" and resid 265 and name HN )) 6.000 4.500 0.000 peak 349 spectrum 1 weight 0.10000E+01 volume 0.27437E-02 ppm1 7.892 ppm2 8.294 CV 1 ASSI { 350} (( segid " A" and resid 266 and name HN )) (( segid " A" and resid 267 and name HN )) 6.000 4.500 0.000 peak 350 spectrum 1 weight 0.10000E+01 volume 0.33937E-02 ppm1 7.891 ppm2 7.682 CV 1 ASSI { 351} (( segid " A" and resid 231 and name HN )) (( segid " A" and resid 233 and name HN )) 6.000 4.500 0.000 peak 351 spectrum 1 weight 0.10000E+01 volume 0.10094E-02 ppm1 7.442 ppm2 7.572 CV 1 ASSI { 352} (( segid " A" and resid 266 and name HN )) ( segid " A" and resid 232 and name HD% ) 6.000 4.500 0.000 peak 352 spectrum 1 weight 0.10000E+01 volume 0.15385E-02 ppm1 7.892 ppm2 7.337 CV 1 OR { 352} (( segid " A" and resid 266 and name HN )) (( segid " A" and resid 269 and name HN )) ASSI { 353} (( segid " A" and resid 231 and name HN )) (( segid " A" and resid 232 and name HN )) 6.000 4.500 0.000 peak 353 spectrum 1 weight 0.10000E+01 volume 0.20841E-02 ppm1 7.439 ppm2 7.062 CV 1 ASSI { 354} (( segid " A" and resid 231 and name HN )) (( segid " A" and resid 230 and name HA )) 6.000 4.500 0.000 peak 354 spectrum 1 weight 0.10000E+01 volume 0.81676E-03 ppm1 7.436 ppm2 5.014 CV 1 ASSI { 355} (( segid " A" and resid 266 and name HN )) (( segid " A" and resid 265 and name HA )) 6.000 4.500 0.000 peak 355 spectrum 1 weight 0.10000E+01 volume 0.16186E-02 ppm1 7.892 ppm2 4.223 CV 1 ASSI { 356} (( segid " A" and resid 231 and name HN )) (( segid " A" and resid 227 and name HA )) 6.000 4.500 0.000 peak 356 spectrum 1 weight 0.10000E+01 volume 0.11536E-02 ppm1 7.440 ppm2 4.162 CV 1 OR { 356} (( segid " A" and resid 231 and name HN )) (( segid " A" and resid 229 and name HA )) ASSI { 357} (( segid " A" and resid 266 and name HN )) (( segid " A" and resid 262 and name HA )) 6.000 4.500 0.000 peak 357 spectrum 1 weight 0.10000E+01 volume 0.61801E-03 ppm1 7.887 ppm2 3.974 CV 1 ASSI { 358} (( segid " A" and resid 231 and name HN )) (( segid " A" and resid 231 and name HA )) 6.000 4.500 0.000 peak 358 spectrum 1 weight 0.10000E+01 volume 0.35368E-02 ppm1 7.440 ppm2 3.848 CV 1 ASSI { 359} (( segid " A" and resid 266 and name HN )) (( segid " A" and resid 263 and name HA )) 6.000 4.500 0.000 peak 359 spectrum 1 weight 0.10000E+01 volume 0.82439E-03 ppm1 7.892 ppm2 3.657 CV 1 ASSI { 360} (( segid " A" and resid 266 and name HN )) (( segid " A" and resid 267 and name HA )) 6.000 4.500 0.000 peak 360 spectrum 1 weight 0.10000E+01 volume 0.93388E-03 ppm1 7.892 ppm2 3.428 CV 1 OR { 360} (( segid " A" and resid 266 and name HN )) (( segid " A" and resid 232 and name HB1 )) ASSI { 361} (( segid " A" and resid 266 and name HN )) (( segid " A" and resid 265 and name HB2 )) 6.000 4.500 0.000 peak 361 spectrum 1 weight 0.10000E+01 volume 0.35410E-02 ppm1 7.891 ppm2 2.709 CV 1 ASSI { 362} (( segid " A" and resid 231 and name HN )) (( segid " A" and resid 232 and name HB2 )) 6.000 4.500 0.000 peak 362 spectrum 1 weight 0.10000E+01 volume 0.53599E-03 ppm1 7.437 ppm2 2.687 CV 1 ASSI { 363} (( segid " A" and resid 231 and name HN )) (( segid " A" and resid 230 and name HG2 )) 6.000 4.500 0.000 peak 363 spectrum 1 weight 0.10000E+01 volume 0.47190E-03 ppm1 7.445 ppm2 2.523 CV 1 OR { 363} (( segid " A" and resid 231 and name HN )) (( segid " A" and resid 230 and name HG1 )) ASSI { 364} (( segid " A" and resid 266 and name HN )) (( segid " A" and resid 266 and name HA )) 6.000 4.500 0.000 peak 364 spectrum 1 weight 0.10000E+01 volume 0.30511E-02 ppm1 7.891 ppm2 2.373 CV 1 ASSI { 365} (( segid " A" and resid 231 and name HN )) (( segid " A" and resid 230 and name HB1 )) 6.000 4.500 0.000 peak 365 spectrum 1 weight 0.10000E+01 volume 0.38950E-03 ppm1 7.440 ppm2 2.273 CV 1 ASSI { 366} (( segid " A" and resid 266 and name HN )) (( segid " A" and resid 264 and name HB1 )) 6.000 4.500 0.000 peak 366 spectrum 1 weight 0.10000E+01 volume 0.13024E-02 ppm1 7.891 ppm2 2.042 CV 1 OR { 366} (( segid " A" and resid 266 and name HN )) (( segid " A" and resid 267 and name HB )) OR { 366} (( segid " A" and resid 266 and name HN )) (( segid " A" and resid 264 and name HB2 )) ASSI { 367} (( segid " A" and resid 231 and name HN )) (( segid " A" and resid 230 and name HB2 )) 6.000 4.500 0.000 peak 367 spectrum 1 weight 0.10000E+01 volume 0.65959E-03 ppm1 7.440 ppm2 2.056 CV 1 ASSI { 368} (( segid " A" and resid 266 and name HN )) ( segid " A" and resid 266 and name HB% ) 6.000 4.500 0.000 peak 368 spectrum 1 weight 0.10000E+01 volume 0.72978E-02 ppm1 7.892 ppm2 1.222 CV 1 ASSI { 370} (( segid " A" and resid 266 and name HN )) ( segid " A" and resid 267 and name HG1%) 6.000 4.500 0.000 peak 370 spectrum 1 weight 0.10000E+01 volume 0.18071E-02 ppm1 7.891 ppm2 0.952 CV 1 OR { 370} (( segid " A" and resid 266 and name HN )) ( segid " A" and resid 267 and name HG2%) OR { 370} (( segid " A" and resid 266 and name HN )) ( segid " A" and resid 211 and name HG2%) ASSI { 371} (( segid " A" and resid 231 and name HN )) ( segid " A" and resid 231 and name HB% ) 6.000 4.500 0.000 peak 371 spectrum 1 weight 0.10000E+01 volume 0.64853E-02 ppm1 7.440 ppm2 0.908 CV 1 ASSI { 372} (( segid " A" and resid 231 and name HN )) ( segid " A" and resid 235 and name HD1%) 6.000 4.500 0.000 peak 372 spectrum 1 weight 0.10000E+01 volume 0.46503E-03 ppm1 7.439 ppm2 0.647 CV 1 ASSI { 373} (( segid " A" and resid 145 and name HN )) (( segid " A" and resid 145 and name HA )) 6.000 4.500 0.000 peak 373 spectrum 1 weight 0.10000E+01 volume 0.33025E-02 ppm1 8.228 ppm2 4.580 CV 1 ASSI { 374} (( segid " A" and resid 145 and name HN )) (( segid " A" and resid 145 and name HB2 )) 6.000 4.500 0.000 peak 374 spectrum 1 weight 0.10000E+01 volume 0.13207E-02 ppm1 8.227 ppm2 3.008 CV 1 ASSI { 375} (( segid " A" and resid 200 and name HN )) (( segid " A" and resid 201 and name HN )) 6.000 4.500 0.000 peak 375 spectrum 1 weight 0.10000E+01 volume 0.46999E-02 ppm1 7.623 ppm2 8.613 CV 1 ASSI { 377} (( segid " A" and resid 200 and name HN )) (( segid " A" and resid 202 and name HN )) 6.000 4.500 0.000 peak 377 spectrum 1 weight 0.10000E+01 volume 0.98653E-03 ppm1 7.622 ppm2 7.956 CV 1 ASSI { 378} (( segid " A" and resid 164 and name HN )) ( segid " A" and resid 254 and name HE% ) 6.000 4.500 0.000 peak 378 spectrum 1 weight 0.10000E+01 volume 0.58902E-03 ppm1 9.454 ppm2 7.300 CV 1 ASSI { 379} (( segid " A" and resid 164 and name HN )) (( segid " A" and resid 165 and name HN )) 6.000 4.500 0.000 peak 379 spectrum 1 weight 0.10000E+01 volume 0.13436E-02 ppm1 9.453 ppm2 6.285 CV 1 ASSI { 380} (( segid " A" and resid 156 and name HN )) (( segid " A" and resid 155 and name HA )) 6.000 4.500 0.000 peak 380 spectrum 1 weight 0.10000E+01 volume 0.99568E-03 ppm1 9.066 ppm2 5.504 CV 1 ASSI { 381} (( segid " A" and resid 164 and name HN )) (( segid " A" and resid 162 and name HA )) 6.000 4.500 0.000 peak 381 spectrum 1 weight 0.10000E+01 volume 0.42192E-03 ppm1 9.451 ppm2 4.831 CV 1 ASSI { 382} (( segid " A" and resid 156 and name HN )) (( segid " A" and resid 156 and name HA )) 6.000 4.500 0.000 peak 382 spectrum 1 weight 0.10000E+01 volume 0.81028E-03 ppm1 9.063 ppm2 4.746 CV 1 ASSI { 383} (( segid " A" and resid 145 and name HN )) (( segid " A" and resid 144 and name HA )) 6.000 4.500 0.000 peak 383 spectrum 1 weight 0.10000E+01 volume 0.24305E-02 ppm1 8.227 ppm2 4.459 CV 1 ASSI { 384} (( segid " A" and resid 164 and name HN )) (( segid " A" and resid 163 and name HA )) 6.000 4.500 0.000 peak 384 spectrum 1 weight 0.10000E+01 volume 0.53370E-03 ppm1 9.456 ppm2 4.107 CV 1 ASSI { 385} (( segid " A" and resid 200 and name HN )) (( segid " A" and resid 200 and name HA )) 6.000 4.500 0.000 peak 385 spectrum 1 weight 0.10000E+01 volume 0.37622E-02 ppm1 7.623 ppm2 4.104 CV 1 ASSI { 386} (( segid " A" and resid 164 and name HN )) (( segid " A" and resid 163 and name HD1 )) 6.000 4.500 0.000 peak 386 spectrum 1 weight 0.10000E+01 volume 0.50623E-03 ppm1 9.452 ppm2 4.006 CV 1 ASSI { 387} (( segid " A" and resid 200 and name HN )) (( segid " A" and resid 197 and name HA )) 6.000 4.500 0.000 peak 387 spectrum 1 weight 0.10000E+01 volume 0.22557E-02 ppm1 7.623 ppm2 3.855 CV 1 ASSI { 388} (( segid " A" and resid 164 and name HN )) (( segid " A" and resid 163 and name HD2 )) 6.000 4.500 0.000 peak 388 spectrum 1 weight 0.10000E+01 volume 0.58368E-03 ppm1 9.452 ppm2 3.582 CV 1 ASSI { 389} (( segid " A" and resid 164 and name HN )) (( segid " A" and resid 164 and name HA )) 6.000 4.500 0.000 peak 389 spectrum 1 weight 0.10000E+01 volume 0.12745E-02 ppm1 9.456 ppm2 3.279 CV 1 ASSI { 390} (( segid " A" and resid 156 and name HN )) (( segid " A" and resid 155 and name HB1 )) 6.000 4.500 0.000 peak 390 spectrum 1 weight 0.10000E+01 volume 0.64090E-03 ppm1 9.068 ppm2 2.914 CV 1 ASSI { 391} (( segid " A" and resid 156 and name HN )) (( segid " A" and resid 155 and name HB2 )) 6.000 4.500 0.000 peak 391 spectrum 1 weight 0.10000E+01 volume 0.83622E-03 ppm1 9.069 ppm2 2.735 CV 1 ASSI { 392} (( segid " A" and resid 200 and name HN )) (( segid " A" and resid 199 and name HB2 )) 6.000 4.500 0.000 peak 392 spectrum 1 weight 0.10000E+01 volume 0.34891E-02 ppm1 7.622 ppm2 2.671 CV 1 ASSI { 393} (( segid " A" and resid 164 and name HN )) (( segid " A" and resid 286 and name HB )) 6.000 4.500 0.000 peak 393 spectrum 1 weight 0.10000E+01 volume 0.64815E-03 ppm1 9.457 ppm2 2.327 CV 1 ASSI { 395} (( segid " A" and resid 164 and name HN )) (( segid " A" and resid 162 and name HB )) 6.000 4.500 0.000 peak 395 spectrum 1 weight 0.10000E+01 volume 0.10617E-02 ppm1 9.454 ppm2 2.168 CV 1 ASSI { 396} (( segid " A" and resid 164 and name HN )) (( segid " A" and resid 163 and name HG1 )) 6.000 4.500 0.000 peak 396 spectrum 1 weight 0.10000E+01 volume 0.13932E-02 ppm1 9.452 ppm2 1.960 CV 1 ASSI { 397} (( segid " A" and resid 200 and name HN )) (( segid " A" and resid 198 and name HB )) 6.000 4.500 0.000 peak 397 spectrum 1 weight 0.10000E+01 volume 0.90794E-03 ppm1 7.621 ppm2 1.962 CV 1 OR { 397} (( segid " A" and resid 224 and name HN )) (( segid " A" and resid 226 and name HB1 )) OR { 397} (( segid " A" and resid 224 and name HN )) (( segid " A" and resid 226 and name HB2 )) OR { 397} (( segid " A" and resid 200 and name HN )) (( segid " A" and resid 197 and name HB )) ASSI { 398} (( segid " A" and resid 164 and name HN )) (( segid " A" and resid 163 and name HB1 )) 6.000 4.500 0.000 peak 398 spectrum 1 weight 0.10000E+01 volume 0.75954E-03 ppm1 9.455 ppm2 1.666 CV 1 ASSI { 399} (( segid " A" and resid 156 and name HN )) (( segid " A" and resid 116 and name HB )) 6.000 4.500 0.000 peak 399 spectrum 1 weight 0.10000E+01 volume 0.37844E-03 ppm1 9.056 ppm2 1.539 CV 1 ASSI { 400} (( segid " A" and resid 224 and name HN )) (( segid " A" and resid 225 and name HG12)) 6.000 4.500 0.000 peak 400 spectrum 1 weight 0.10000E+01 volume 0.62564E-03 ppm1 7.622 ppm2 1.522 CV 1 ASSI { 401} (( segid " A" and resid 200 and name HN )) (( segid " A" and resid 201 and name HB1 )) 6.000 4.500 0.000 peak 401 spectrum 1 weight 0.10000E+01 volume 0.62716E-03 ppm1 7.624 ppm2 1.441 CV 1 OR { 401} (( segid " A" and resid 224 and name HN )) (( segid " A" and resid 240 and name HB2 )) ASSI { 402} (( segid " A" and resid 164 and name HN )) ( segid " A" and resid 162 and name HG1%) 6.000 4.500 0.000 peak 402 spectrum 1 weight 0.10000E+01 volume 0.12578E-02 ppm1 9.453 ppm2 1.040 CV 1 OR { 402} (( segid " A" and resid 164 and name HN )) ( segid " A" and resid 287 and name HG2%) ASSI { 403} (( segid " A" and resid 156 and name HN )) ( segid " A" and resid 156 and name HB% ) 6.000 4.500 0.000 peak 403 spectrum 1 weight 0.10000E+01 volume 0.99568E-03 ppm1 9.065 ppm2 0.810 CV 1 ASSI { 404} (( segid " A" and resid 200 and name HN )) ( segid " A" and resid 197 and name HD1%) 6.000 4.500 0.000 peak 404 spectrum 1 weight 0.10000E+01 volume 0.98653E-03 ppm1 7.621 ppm2 0.791 CV 1 OR { 404} (( segid " A" and resid 200 and name HN )) ( segid " A" and resid 201 and name HD2%) OR { 404} (( segid " A" and resid 200 and name HN )) ( segid " A" and resid 201 and name HD1%) ASSI { 405} (( segid " A" and resid 164 and name HN )) (( segid " A" and resid 164 and name HB1 )) 6.000 4.500 0.000 peak 405 spectrum 1 weight 0.10000E+01 volume 0.31900E-02 ppm1 9.452 ppm2 0.739 CV 1 ASSI { 406} (( segid " A" and resid 156 and name HN )) ( segid " A" and resid 116 and name HG2%) 6.000 4.500 0.000 peak 406 spectrum 1 weight 0.10000E+01 volume 0.40743E-03 ppm1 9.065 ppm2 0.677 CV 1 ASSI { 407} (( segid " A" and resid 156 and name HN )) ( segid " A" and resid 119 and name HD1%) 6.000 4.500 0.000 peak 407 spectrum 1 weight 0.10000E+01 volume 0.78129E-03 ppm1 9.062 ppm2 0.230 CV 1 ASSI { 408} (( segid " A" and resid 224 and name HN )) (( segid " A" and resid 221 and name HN )) 6.000 4.500 0.000 peak 408 spectrum 1 weight 0.10000E+01 volume 0.80379E-03 ppm1 7.600 ppm2 9.327 CV 1 ASSI { 410} (( segid " A" and resid 224 and name HN )) (( segid " A" and resid 225 and name HN )) 6.000 4.500 0.000 peak 410 spectrum 1 weight 0.10000E+01 volume 0.23538E-02 ppm1 7.602 ppm2 7.307 CV 1 ASSI { 411} (( segid " A" and resid 224 and name HN )) (( segid " A" and resid 224 and name HA )) 6.000 4.500 0.000 peak 411 spectrum 1 weight 0.10000E+01 volume 0.40132E-02 ppm1 7.604 ppm2 4.341 CV 1 ASSI { 412} (( segid " A" and resid 239 and name HN )) (( segid " A" and resid 238 and name HB2 )) 6.000 4.500 0.000 peak 412 spectrum 1 weight 0.10000E+01 volume 0.94685E-03 ppm1 8.158 ppm2 2.775 CV 1 ASSI { 413} (( segid " A" and resid 224 and name HN )) (( segid " A" and resid 224 and name HB2 )) 6.000 4.500 0.000 peak 413 spectrum 1 weight 0.10000E+01 volume 0.39293E-02 ppm1 7.605 ppm2 2.493 CV 1 ASSI { 414} (( segid " A" and resid 200 and name HN )) (( segid " A" and resid 201 and name HG )) 6.000 4.500 0.000 peak 414 spectrum 1 weight 0.10000E+01 volume 0.76908E-03 ppm1 7.607 ppm2 1.815 CV 1 OR { 414} (( segid " A" and resid 224 and name HN )) (( segid " A" and resid 225 and name HB )) ASSI { 415} (( segid " A" and resid 224 and name HN )) ( segid " A" and resid 220 and name HD2%) 6.000 4.500 0.000 peak 415 spectrum 1 weight 0.10000E+01 volume 0.11170E-02 ppm1 7.605 ppm2 0.873 CV 1 OR { 415} (( segid " A" and resid 200 and name HN )) ( segid " A" and resid 197 and name HG2%) OR { 415} (( segid " A" and resid 200 and name HN )) ( segid " A" and resid 198 and name HG2%) ASSI { 416} (( segid " A" and resid 224 and name HN )) ( segid " A" and resid 216 and name HG1%) 6.000 4.500 0.000 peak 416 spectrum 1 weight 0.10000E+01 volume 0.81142E-03 ppm1 7.601 ppm2 0.641 CV 1 OR { 416} (( segid " A" and resid 224 and name HN )) ( segid " A" and resid 220 and name HD1%) ASSI { 417} (( segid " A" and resid 239 and name HN )) ( segid " A" and resid 255 and name HG2%) 6.000 4.500 0.000 peak 417 spectrum 1 weight 0.10000E+01 volume 0.51081E-03 ppm1 8.159 ppm2 0.187 CV 1 ASSI { 418} (( segid " A" and resid 239 and name HN )) ( segid " A" and resid 255 and name HD1%) 6.000 4.500 0.000 peak 418 spectrum 1 weight 0.10000E+01 volume 0.49631E-03 ppm1 8.158 ppm2 -0.141 CV 1 ASSI { 419} (( segid " A" and resid 239 and name HN )) (( segid " A" and resid 256 and name HN )) 6.000 4.500 0.000 peak 419 spectrum 1 weight 0.10000E+01 volume 0.52378E-03 ppm1 8.157 ppm2 8.812 CV 1 ASSI { 420} (( segid " A" and resid 239 and name HN )) (( segid " A" and resid 240 and name HN )) 6.000 4.500 0.000 peak 420 spectrum 1 weight 0.10000E+01 volume 0.68248E-03 ppm1 8.157 ppm2 8.590 CV 1 ASSI { 421} (( segid " A" and resid 185 and name HN )) (( segid " A" and resid 184 and name HN )) 6.000 4.500 0.000 peak 421 spectrum 1 weight 0.10000E+01 volume 0.41162E-03 ppm1 8.567 ppm2 7.937 CV 1 ASSI { 422} (( segid " A" and resid 239 and name HN )) (( segid " A" and resid 254 and name HN )) 6.000 4.500 0.000 peak 422 spectrum 1 weight 0.10000E+01 volume 0.14561E-02 ppm1 8.160 ppm2 7.778 CV 1 ASSI { 423} (( segid " A" and resid 185 and name HN )) (( segid " A" and resid 185 and name HA )) 6.000 4.500 0.000 peak 423 spectrum 1 weight 0.10000E+01 volume 0.91862E-03 ppm1 8.569 ppm2 5.326 CV 1 ASSI { 424} (( segid " A" and resid 185 and name HN )) (( segid " A" and resid 184 and name HA )) 6.000 4.500 0.000 peak 424 spectrum 1 weight 0.10000E+01 volume 0.53065E-02 ppm1 8.571 ppm2 4.927 CV 1 ASSI { 425} (( segid " A" and resid 239 and name HN )) (( segid " A" and resid 238 and name HA )) 6.000 4.500 0.000 peak 425 spectrum 1 weight 0.10000E+01 volume 0.88009E-02 ppm1 8.158 ppm2 4.754 CV 1 ASSI { 426} (( segid " A" and resid 185 and name HN )) (( segid " A" and resid 174 and name HA )) 6.000 4.500 0.000 peak 426 spectrum 1 weight 0.10000E+01 volume 0.10754E-02 ppm1 8.572 ppm2 4.435 CV 1 ASSI { 427} (( segid " A" and resid 239 and name HN )) (( segid " A" and resid 239 and name HB )) 6.000 4.500 0.000 peak 427 spectrum 1 weight 0.10000E+01 volume 0.26784E-02 ppm1 8.157 ppm2 3.913 CV 1 ASSI { 428} (( segid " A" and resid 224 and name HN )) (( segid " A" and resid 224 and name HB1 )) 6.000 4.500 0.000 peak 428 spectrum 1 weight 0.10000E+01 volume 0.23538E-02 ppm1 7.602 ppm2 2.983 CV 1 ASSI { 429} (( segid " A" and resid 185 and name HN )) (( segid " A" and resid 174 and name HB2 )) 6.000 4.500 0.000 peak 429 spectrum 1 weight 0.10000E+01 volume 0.53141E-03 ppm1 8.569 ppm2 2.934 CV 1 ASSI { 430} (( segid " A" and resid 219 and name HN )) (( segid " A" and resid 219 and name HB1 )) 6.000 4.500 0.000 peak 430 spectrum 1 weight 0.10000E+01 volume 0.65578E-03 ppm1 11.143 ppm2 2.685 CV 1 ASSI { 431} (( segid " A" and resid 239 and name HN )) (( segid " A" and resid 238 and name HB1 )) 6.000 4.500 0.000 peak 431 spectrum 1 weight 0.10000E+01 volume 0.10708E-02 ppm1 8.159 ppm2 2.307 CV 1 ASSI { 432} (( segid " A" and resid 185 and name HN )) (( segid " A" and resid 185 and name HB )) 6.000 4.500 0.000 peak 432 spectrum 1 weight 0.10000E+01 volume 0.15797E-02 ppm1 8.572 ppm2 1.859 CV 1 ASSI { 433} (( segid " A" and resid 185 and name HN )) (( segid " A" and resid 184 and name HB2 )) 6.000 4.500 0.000 peak 433 spectrum 1 weight 0.10000E+01 volume 0.16251E-02 ppm1 8.571 ppm2 1.707 CV 1 ASSI { 434} (( segid " A" and resid 185 and name HN )) (( segid " A" and resid 184 and name HB1 )) 6.000 4.500 0.000 peak 434 spectrum 1 weight 0.10000E+01 volume 0.10174E-02 ppm1 8.571 ppm2 1.566 CV 1 ASSI { 435} (( segid " A" and resid 224 and name HN )) (( segid " A" and resid 225 and name HG12)) 6.000 4.500 0.000 peak 435 spectrum 1 weight 0.10000E+01 volume 0.52989E-03 ppm1 7.601 ppm2 1.502 CV 1 ASSI { 436} (( segid " A" and resid 185 and name HN )) (( segid " A" and resid 184 and name HG2 )) 6.000 4.500 0.000 peak 436 spectrum 1 weight 0.10000E+01 volume 0.65044E-03 ppm1 8.574 ppm2 1.351 CV 1 ASSI { 437} (( segid " A" and resid 239 and name HN )) ( segid " A" and resid 239 and name HG2%) 6.000 4.500 0.000 peak 437 spectrum 1 weight 0.10000E+01 volume 0.17812E-02 ppm1 8.157 ppm2 1.145 CV 1 ASSI { 438} (( segid " A" and resid 185 and name HN )) ( segid " A" and resid 185 and name HG2%) 6.000 4.500 0.000 peak 438 spectrum 1 weight 0.10000E+01 volume 0.26479E-02 ppm1 8.572 ppm2 0.969 CV 1 ASSI { 439} (( segid " A" and resid 141 and name HN )) ( segid " A" and resid 141 and name HG2%) 6.000 4.500 0.000 peak 439 spectrum 1 weight 0.10000E+01 volume 0.14130E-02 ppm1 8.158 ppm2 0.543 CV 1 OR { 439} (( segid " A" and resid 239 and name HN )) (( segid " A" and resid 255 and name HG12)) ASSI { 441} (( segid " A" and resid 282 and name HN )) (( segid " A" and resid 283 and name HN )) 6.000 4.500 0.000 peak 441 spectrum 1 weight 0.10000E+01 volume 0.55926E-03 ppm1 8.657 ppm2 8.988 CV 1 ASSI { 442} (( segid " A" and resid 264 and name HN )) (( segid " A" and resid 265 and name HN )) 6.000 4.500 0.000 peak 442 spectrum 1 weight 0.10000E+01 volume 0.28692E-02 ppm1 7.372 ppm2 8.292 CV 1 ASSI { 443} (( segid " A" and resid 107 and name HN )) (( segid " A" and resid 108 and name HN )) 6.000 4.500 0.000 peak 443 spectrum 1 weight 0.10000E+01 volume 0.16492E-02 ppm1 7.804 ppm2 8.119 CV 1 ASSI { 444} (( segid " A" and resid 169 and name HN )) (( segid " A" and resid 170 and name HN )) 6.000 4.500 0.000 peak 444 spectrum 1 weight 0.10000E+01 volume 0.25010E-02 ppm1 7.685 ppm2 7.981 CV 1 ASSI { 445} (( segid " A" and resid 264 and name HN )) (( segid " A" and resid 266 and name HN )) 6.000 4.500 0.000 peak 445 spectrum 1 weight 0.10000E+01 volume 0.55773E-03 ppm1 7.377 ppm2 7.901 CV 1 ASSI { 447} (( segid " A" and resid 282 and name HN )) (( segid " A" and resid 281 and name HN )) 6.000 4.500 0.000 peak 447 spectrum 1 weight 0.10000E+01 volume 0.10205E-02 ppm1 8.658 ppm2 7.753 CV 1 ASSI { 448} (( segid " A" and resid 148 and name HN )) (( segid " A" and resid 149 and name HN )) 6.000 4.500 0.000 peak 448 spectrum 1 weight 0.10000E+01 volume 0.72025E-03 ppm1 8.292 ppm2 7.695 CV 1 ASSI { 449} (( segid " A" and resid 264 and name HN )) (( segid " A" and resid 267 and name HN )) 6.000 4.500 0.000 peak 449 spectrum 1 weight 0.10000E+01 volume 0.46160E-03 ppm1 7.370 ppm2 7.677 CV 1 ASSI { 450} (( segid " A" and resid 169 and name HN )) (( segid " A" and resid 168 and name HN )) 6.000 4.500 0.000 peak 450 spectrum 1 weight 0.10000E+01 volume 0.27738E-02 ppm1 7.684 ppm2 7.432 CV 1 ASSI { 451} (( segid " A" and resid 107 and name HN )) (( segid " A" and resid 109 and name HN )) 6.000 4.500 0.000 peak 451 spectrum 1 weight 0.10000E+01 volume 0.53752E-03 ppm1 7.805 ppm2 7.388 CV 1 ASSI { 453} (( segid " A" and resid 169 and name HN )) ( segid " A" and resid 135 and name HD% ) 6.000 4.500 0.000 peak 453 spectrum 1 weight 0.10000E+01 volume 0.66951E-03 ppm1 7.687 ppm2 7.276 CV 1 ASSI { 454} (( segid " A" and resid 265 and name HN )) (( segid " A" and resid 263 and name HN )) 6.000 4.500 0.000 peak 454 spectrum 1 weight 0.10000E+01 volume 0.50852E-03 ppm1 8.288 ppm2 6.860 CV 1 ASSI { 455} (( segid " A" and resid 264 and name HN )) (( segid " A" and resid 263 and name HN )) 6.000 4.500 0.000 peak 455 spectrum 1 weight 0.10000E+01 volume 0.25438E-02 ppm1 7.372 ppm2 6.851 CV 1 ASSI { 456} (( segid " A" and resid 282 and name HN )) (( segid " A" and resid 281 and name HA )) 6.000 4.500 0.000 peak 456 spectrum 1 weight 0.10000E+01 volume 0.39789E-02 ppm1 8.658 ppm2 5.244 CV 1 ASSI { 457} (( segid " A" and resid 282 and name HN )) (( segid " A" and resid 271 and name HA )) 6.000 4.500 0.000 peak 457 spectrum 1 weight 0.10000E+01 volume 0.21272E-02 ppm1 8.658 ppm2 4.432 CV 1 ASSI { 458} (( segid " A" and resid 265 and name HN )) (( segid " A" and resid 265 and name HA )) 6.000 4.500 0.000 peak 458 spectrum 1 weight 0.10000E+01 volume 0.28390E-02 ppm1 8.292 ppm2 4.224 CV 1 ASSI { 459} (( segid " A" and resid 264 and name HN )) (( segid " A" and resid 265 and name HA )) 6.000 4.500 0.000 peak 459 spectrum 1 weight 0.10000E+01 volume 0.48487E-03 ppm1 7.378 ppm2 4.202 CV 1 ASSI { 460} (( segid " A" and resid 169 and name HN )) (( segid " A" and resid 168 and name HA )) 6.000 4.500 0.000 peak 460 spectrum 1 weight 0.10000E+01 volume 0.91328E-03 ppm1 7.686 ppm2 3.993 CV 1 ASSI { 461} (( segid " A" and resid 265 and name HN )) (( segid " A" and resid 264 and name HA )) 6.000 4.500 0.000 peak 461 spectrum 1 weight 0.10000E+01 volume 0.20627E-02 ppm1 8.293 ppm2 3.913 CV 1 ASSI { 462} (( segid " A" and resid 107 and name HN )) (( segid " A" and resid 107 and name HA )) 6.000 4.500 0.000 peak 462 spectrum 1 weight 0.10000E+01 volume 0.31511E-02 ppm1 7.805 ppm2 3.923 CV 1 ASSI { 463} (( segid " A" and resid 264 and name HN )) (( segid " A" and resid 264 and name HA )) 6.000 4.500 0.000 peak 463 spectrum 1 weight 0.10000E+01 volume 0.42917E-02 ppm1 7.373 ppm2 3.910 CV 1 ASSI { 464} (( segid " A" and resid 264 and name HN )) (( segid " A" and resid 263 and name HB1 )) 6.000 4.500 0.000 peak 464 spectrum 1 weight 0.10000E+01 volume 0.26635E-02 ppm1 7.373 ppm2 3.777 CV 1 ASSI { 465} (( segid " A" and resid 169 and name HN )) (( segid " A" and resid 166 and name HA )) 6.000 4.500 0.000 peak 465 spectrum 1 weight 0.10000E+01 volume 0.13825E-02 ppm1 7.686 ppm2 3.621 CV 1 ASSI { 466} (( segid " A" and resid 169 and name HN )) (( segid " A" and resid 135 and name HB1 )) 6.000 4.500 0.000 peak 466 spectrum 1 weight 0.10000E+01 volume 0.45435E-03 ppm1 7.685 ppm2 3.421 CV 1 ASSI { 467} (( segid " A" and resid 282 and name HN )) (( segid " A" and resid 281 and name HD1 )) 6.000 4.500 0.000 peak 467 spectrum 1 weight 0.10000E+01 volume 0.63556E-03 ppm1 8.660 ppm2 3.132 CV 1 ASSI { 468} (( segid " A" and resid 282 and name HN )) (( segid " A" and resid 271 and name HB2 )) 6.000 4.500 0.000 peak 468 spectrum 1 weight 0.10000E+01 volume 0.63785E-03 ppm1 8.659 ppm2 2.889 CV 1 ASSI { 469} (( segid " A" and resid 265 and name HN )) (( segid " A" and resid 265 and name HB1 )) 6.000 4.500 0.000 peak 469 spectrum 1 weight 0.10000E+01 volume 0.41315E-02 ppm1 8.290 ppm2 2.715 CV 1 ASSI { 470} (( segid " A" and resid 264 and name HN )) (( segid " A" and resid 265 and name HB2 )) 6.000 4.500 0.000 peak 470 spectrum 1 weight 0.10000E+01 volume 0.73780E-03 ppm1 7.373 ppm2 2.721 CV 1 OR { 470} (( segid " A" and resid 264 and name HN )) (( segid " A" and resid 265 and name HB1 )) OR { 470} (( segid " A" and resid 264 and name HN )) (( segid " A" and resid 257 and name HB1 )) ASSI { 471} (( segid " A" and resid 169 and name HN )) (( segid " A" and resid 135 and name HB2 )) 6.000 4.500 0.000 peak 471 spectrum 1 weight 0.10000E+01 volume 0.48716E-03 ppm1 7.687 ppm2 2.602 CV 1 ASSI { 472} (( segid " A" and resid 169 and name HN )) (( segid " A" and resid 169 and name HA )) 6.000 4.500 0.000 peak 472 spectrum 1 weight 0.10000E+01 volume 0.26784E-02 ppm1 7.686 ppm2 2.363 CV 1 ASSI { 473} (( segid " A" and resid 265 and name HN )) (( segid " A" and resid 264 and name HG2 )) 6.000 4.500 0.000 peak 473 spectrum 1 weight 0.10000E+01 volume 0.14996E-02 ppm1 8.291 ppm2 2.356 CV 1 OR { 473} (( segid " A" and resid 265 and name HN )) (( segid " A" and resid 264 and name HG1 )) ASSI { 474} (( segid " A" and resid 264 and name HN )) (( segid " A" and resid 264 and name HG1 )) 6.000 4.500 0.000 peak 474 spectrum 1 weight 0.10000E+01 volume 0.38874E-02 ppm1 7.373 ppm2 2.346 CV 1 OR { 474} (( segid " A" and resid 264 and name HN )) (( segid " A" and resid 264 and name HG2 )) ASSI { 475} (( segid " A" and resid 148 and name HN )) (( segid " A" and resid 148 and name HB )) 6.000 4.500 0.000 peak 475 spectrum 1 weight 0.10000E+01 volume 0.84614E-03 ppm1 8.299 ppm2 2.203 CV 1 ASSI { 476} (( segid " A" and resid 265 and name HN )) (( segid " A" and resid 264 and name HB1 )) 6.000 4.500 0.000 peak 476 spectrum 1 weight 0.10000E+01 volume 0.40399E-02 ppm1 8.291 ppm2 2.051 CV 1 OR { 476} (( segid " A" and resid 265 and name HN )) (( segid " A" and resid 264 and name HB2 )) ASSI { 477} (( segid " A" and resid 264 and name HN )) (( segid " A" and resid 264 and name HB2 )) 6.000 4.500 0.000 peak 477 spectrum 1 weight 0.10000E+01 volume 0.84843E-02 ppm1 7.373 ppm2 2.054 CV 1 OR { 477} (( segid " A" and resid 264 and name HN )) (( segid " A" and resid 264 and name HB1 )) ASSI { 478} (( segid " A" and resid 169 and name HN )) (( segid " A" and resid 168 and name HB2 )) 6.000 4.500 0.000 peak 478 spectrum 1 weight 0.10000E+01 volume 0.29687E-02 ppm1 7.685 ppm2 1.850 CV 1 ASSI { 479} (( segid " A" and resid 282 and name HN )) (( segid " A" and resid 282 and name HB )) 6.000 4.500 0.000 peak 479 spectrum 1 weight 0.10000E+01 volume 0.33548E-02 ppm1 8.658 ppm2 1.742 CV 1 ASSI { 480} (( segid " A" and resid 184 and name HN )) (( segid " A" and resid 184 and name HB2 )) 6.000 4.500 0.000 peak 480 spectrum 1 weight 0.10000E+01 volume 0.82554E-03 ppm1 7.944 ppm2 1.713 CV 1 ASSI { 481} (( segid " A" and resid 282 and name HN )) (( segid " A" and resid 281 and name HG1 )) 6.000 4.500 0.000 peak 481 spectrum 1 weight 0.10000E+01 volume 0.57223E-03 ppm1 8.664 ppm2 1.516 CV 1 ASSI { 482} (( segid " A" and resid 107 and name HN )) ( segid " A" and resid 107 and name HB% ) 6.000 4.500 0.000 peak 482 spectrum 1 weight 0.10000E+01 volume 0.67447E-02 ppm1 7.805 ppm2 1.448 CV 1 ASSI { 483} (( segid " A" and resid 169 and name HN )) ( segid " A" and resid 169 and name HB% ) 6.000 4.500 0.000 peak 483 spectrum 1 weight 0.10000E+01 volume 0.66074E-02 ppm1 7.685 ppm2 1.319 CV 1 ASSI { 484} (( segid " A" and resid 265 and name HN )) ( segid " A" and resid 266 and name HB% ) 6.000 4.500 0.000 peak 484 spectrum 1 weight 0.10000E+01 volume 0.73436E-03 ppm1 8.292 ppm2 1.213 CV 1 ASSI { 485} (( segid " A" and resid 282 and name HN )) ( segid " A" and resid 282 and name HG1%) 6.000 4.500 0.000 peak 485 spectrum 1 weight 0.10000E+01 volume 0.44787E-02 ppm1 8.659 ppm2 0.960 CV 1 OR { 485} (( segid " A" and resid 282 and name HN )) ( segid " A" and resid 282 and name HG2%) ASSI { 486} (( segid " A" and resid 148 and name HN )) ( segid " A" and resid 148 and name HG1%) 6.000 4.500 0.000 peak 486 spectrum 1 weight 0.10000E+01 volume 0.16167E-02 ppm1 8.297 ppm2 0.935 CV 1 ASSI { 487} (( segid " A" and resid 264 and name HN )) ( segid " A" and resid 267 and name HG1%) 6.000 4.500 0.000 peak 487 spectrum 1 weight 0.10000E+01 volume 0.87742E-03 ppm1 7.373 ppm2 0.949 CV 1 OR { 487} (( segid " A" and resid 264 and name HN )) ( segid " A" and resid 211 and name HG2%) OR { 487} (( segid " A" and resid 264 and name HN )) ( segid " A" and resid 267 and name HG2%) ASSI { 488} (( segid " A" and resid 169 and name HN )) ( segid " A" and resid 165 and name HB% ) 6.000 4.500 0.000 peak 488 spectrum 1 weight 0.10000E+01 volume 0.44138E-03 ppm1 7.682 ppm2 0.637 CV 1 ASSI { 489} (( segid " A" and resid 184 and name HN )) (( segid " A" and resid 117 and name HN )) 6.000 4.500 0.000 peak 489 spectrum 1 weight 0.10000E+01 volume 0.43108E-03 ppm1 7.943 ppm2 9.102 CV 1 ASSI { 491} (( segid " A" and resid 128 and name HN )) (( segid " A" and resid 129 and name HN )) 6.000 4.500 0.000 peak 491 spectrum 1 weight 0.10000E+01 volume 0.15191E-02 ppm1 7.405 ppm2 8.862 CV 1 ASSI { 492} (( segid " A" and resid 141 and name HN )) (( segid " A" and resid 140 and name HN )) 6.000 4.500 0.000 peak 492 spectrum 1 weight 0.10000E+01 volume 0.65120E-03 ppm1 8.168 ppm2 7.689 CV 1 ASSI { 493} (( segid " A" and resid 184 and name HN )) (( segid " A" and resid 184 and name HA )) 6.000 4.500 0.000 peak 493 spectrum 1 weight 0.10000E+01 volume 0.63479E-03 ppm1 7.941 ppm2 4.922 CV 1 ASSI { 494} (( segid " A" and resid 184 and name HN )) (( segid " A" and resid 183 and name HA )) 6.000 4.500 0.000 peak 494 spectrum 1 weight 0.10000E+01 volume 0.11902E-02 ppm1 7.939 ppm2 4.607 CV 1 ASSI { 495} (( segid " A" and resid 141 and name HN )) (( segid " A" and resid 141 and name HA )) 6.000 4.500 0.000 peak 495 spectrum 1 weight 0.10000E+01 volume 0.34544E-02 ppm1 8.169 ppm2 4.573 CV 1 ASSI { 496} (( segid " A" and resid 141 and name HN )) (( segid " A" and resid 140 and name HA )) 6.000 4.500 0.000 peak 496 spectrum 1 weight 0.10000E+01 volume 0.69965E-02 ppm1 8.170 ppm2 4.458 CV 1 ASSI { 497} (( segid " A" and resid 128 and name HN )) (( segid " A" and resid 127 and name HB )) 6.000 4.500 0.000 peak 497 spectrum 1 weight 0.10000E+01 volume 0.10388E-02 ppm1 7.404 ppm2 4.143 CV 1 ASSI { 498} (( segid " A" and resid 128 and name HN )) (( segid " A" and resid 128 and name HA )) 6.000 4.500 0.000 peak 498 spectrum 1 weight 0.10000E+01 volume 0.22435E-02 ppm1 7.404 ppm2 3.690 CV 1 ASSI { 499} (( segid " A" and resid 141 and name HN )) (( segid " A" and resid 140 and name HB2 )) 6.000 4.500 0.000 peak 499 spectrum 1 weight 0.10000E+01 volume 0.26666E-02 ppm1 8.171 ppm2 3.675 CV 1 ASSI { 500} (( segid " A" and resid 248 and name HN )) (( segid " A" and resid 243 and name HB2 )) 6.000 4.500 0.000 peak 500 spectrum 1 weight 0.10000E+01 volume 0.10449E-02 ppm1 7.901 ppm2 2.377 CV 1 ASSI { 501} (( segid " A" and resid 184 and name HN )) (( segid " A" and resid 183 and name HB )) 6.000 4.500 0.000 peak 501 spectrum 1 weight 0.10000E+01 volume 0.14714E-02 ppm1 7.945 ppm2 1.994 CV 1 ASSI { 502} (( segid " A" and resid 141 and name HN )) (( segid " A" and resid 141 and name HB )) 6.000 4.500 0.000 peak 502 spectrum 1 weight 0.10000E+01 volume 0.25991E-02 ppm1 8.171 ppm2 1.596 CV 1 ASSI { 503} (( segid " A" and resid 141 and name HN )) (( segid " A" and resid 141 and name HG12)) 6.000 4.500 0.000 peak 503 spectrum 1 weight 0.10000E+01 volume 0.11200E-02 ppm1 8.172 ppm2 1.480 CV 1 ASSI { 504} (( segid " A" and resid 128 and name HN )) (( segid " A" and resid 128 and name HG11)) 6.000 4.500 0.000 peak 504 spectrum 1 weight 0.10000E+01 volume 0.26387E-02 ppm1 7.407 ppm2 1.179 CV 1 ASSI { 505} (( segid " A" and resid 184 and name HN )) ( segid " A" and resid 183 and name HG2%) 6.000 4.500 0.000 peak 505 spectrum 1 weight 0.10000E+01 volume 0.10754E-02 ppm1 7.950 ppm2 0.907 CV 1 OR { 505} (( segid " A" and resid 202 and name HN )) ( segid " A" and resid 198 and name HG2%) ASSI { 506} (( segid " A" and resid 285 and name HN )) ( segid " A" and resid 286 and name HG1%) 6.000 4.500 0.000 peak 506 spectrum 1 weight 0.10000E+01 volume 0.79845E-03 ppm1 7.687 ppm2 0.761 CV 1 OR { 506} (( segid " A" and resid 169 and name HN )) ( segid " A" and resid 170 and name HD2%) OR { 506} (( segid " A" and resid 169 and name HN )) ( segid " A" and resid 170 and name HD1%) OR { 506} (( segid " A" and resid 285 and name HN )) (( segid " A" and resid 164 and name HB2 )) OR { 506} (( segid " A" and resid 169 and name HN )) (( segid " A" and resid 164 and name HB2 )) ASSI { 507} (( segid " A" and resid 141 and name HN )) ( segid " A" and resid 141 and name HD1%) 6.000 4.500 0.000 peak 507 spectrum 1 weight 0.10000E+01 volume 0.90565E-03 ppm1 8.170 ppm2 0.736 CV 1 ASSI { 508} (( segid " A" and resid 128 and name HN )) ( segid " A" and resid 141 and name HD1%) 6.000 4.500 0.000 peak 508 spectrum 1 weight 0.10000E+01 volume 0.53523E-03 ppm1 7.410 ppm2 0.743 CV 1 OR { 508} (( segid " A" and resid 128 and name HN )) ( segid " A" and resid 138 and name HD1%) ASSI { 509} (( segid " A" and resid 141 and name HN )) ( segid " A" and resid 141 and name HG2%) 6.000 4.500 0.000 peak 509 spectrum 1 weight 0.10000E+01 volume 0.14497E-02 ppm1 8.170 ppm2 0.540 CV 1 ASSI { 510} (( segid " A" and resid 128 and name HN )) ( segid " A" and resid 128 and name HG2%) 6.000 4.500 0.000 peak 510 spectrum 1 weight 0.10000E+01 volume 0.19429E-02 ppm1 7.406 ppm2 0.509 CV 1 ASSI { 511} (( segid " A" and resid 285 and name HN )) (( segid " A" and resid 286 and name HN )) 6.000 4.500 0.000 peak 511 spectrum 1 weight 0.10000E+01 volume 0.38111E-03 ppm1 7.699 ppm2 9.841 CV 1 ASSI { 513} (( segid " A" and resid 285 and name HN )) (( segid " A" and resid 212 and name HN )) 6.000 4.500 0.000 peak 513 spectrum 1 weight 0.10000E+01 volume 0.93274E-03 ppm1 7.691 ppm2 9.147 CV 1 ASSI { 514} (( segid " A" and resid 285 and name HN )) (( segid " A" and resid 284 and name HN )) 6.000 4.500 0.000 peak 514 spectrum 1 weight 0.10000E+01 volume 0.63403E-03 ppm1 7.694 ppm2 8.587 CV 1 ASSI { 515} (( segid " A" and resid 248 and name HN )) (( segid " A" and resid 247 and name HN )) 6.000 4.500 0.000 peak 515 spectrum 1 weight 0.10000E+01 volume 0.23538E-02 ppm1 7.902 ppm2 8.398 CV 1 ASSI { 517} (( segid " A" and resid 273 and name HN )) (( segid " A" and resid 281 and name HN )) 6.000 4.500 0.000 peak 517 spectrum 1 weight 0.10000E+01 volume 0.46961E-03 ppm1 7.564 ppm2 7.755 CV 1 ASSI { 518} (( segid " A" and resid 273 and name HN )) ( segid " A" and resid 273 and name HD% ) 6.000 4.500 0.000 peak 518 spectrum 1 weight 0.10000E+01 volume 0.16881E-02 ppm1 7.563 ppm2 7.140 CV 1 ASSI { 520} (( segid " A" and resid 285 and name HN )) (( segid " A" and resid 211 and name HA )) 6.000 4.500 0.000 peak 520 spectrum 1 weight 0.10000E+01 volume 0.26784E-02 ppm1 7.690 ppm2 5.050 CV 1 ASSI { 521} (( segid " A" and resid 273 and name HN )) (( segid " A" and resid 270 and name HA )) 6.000 4.500 0.000 peak 521 spectrum 1 weight 0.10000E+01 volume 0.96974E-03 ppm1 7.563 ppm2 4.914 CV 1 ASSI { 522} (( segid " A" and resid 248 and name HN )) (( segid " A" and resid 243 and name HA )) 6.000 4.500 0.000 peak 522 spectrum 1 weight 0.10000E+01 volume 0.88619E-03 ppm1 7.903 ppm2 4.878 CV 1 ASSI { 523} (( segid " A" and resid 273 and name HN )) (( segid " A" and resid 279 and name HA )) 6.000 4.500 0.000 peak 523 spectrum 1 weight 0.10000E+01 volume 0.58291E-03 ppm1 7.562 ppm2 4.775 CV 1 ASSI { 524} (( segid " A" and resid 285 and name HN )) (( segid " A" and resid 285 and name HA )) 6.000 4.500 0.000 peak 524 spectrum 1 weight 0.10000E+01 volume 0.17922E-02 ppm1 7.697 ppm2 4.737 CV 1 ASSI { 525} (( segid " A" and resid 273 and name HN )) (( segid " A" and resid 271 and name HA )) 6.000 4.500 0.000 peak 525 spectrum 1 weight 0.10000E+01 volume 0.12852E-02 ppm1 7.563 ppm2 4.431 CV 1 ASSI { 526} (( segid " A" and resid 248 and name HN )) (( segid " A" and resid 248 and name HA )) 6.000 4.500 0.000 peak 526 spectrum 1 weight 0.10000E+01 volume 0.38301E-02 ppm1 7.903 ppm2 4.401 CV 1 ASSI { 527} (( segid " A" and resid 285 and name HN )) (( segid " A" and resid 284 and name HA )) 6.000 4.500 0.000 peak 527 spectrum 1 weight 0.10000E+01 volume 0.58062E-02 ppm1 7.690 ppm2 4.389 CV 1 ASSI { 528} (( segid " A" and resid 273 and name HN )) (( segid " A" and resid 273 and name HA )) 6.000 4.500 0.000 peak 528 spectrum 1 weight 0.10000E+01 volume 0.24640E-02 ppm1 7.562 ppm2 4.274 CV 1 ASSI { 530} (( segid " A" and resid 273 and name HN )) (( segid " A" and resid 272 and name HA )) 6.000 4.500 0.000 peak 530 spectrum 1 weight 0.10000E+01 volume 0.15839E-02 ppm1 7.563 ppm2 3.865 CV 1 ASSI { 531} (( segid " A" and resid 248 and name HN )) (( segid " A" and resid 247 and name HA2 )) 6.000 4.500 0.000 peak 531 spectrum 1 weight 0.10000E+01 volume 0.11582E-02 ppm1 7.902 ppm2 3.740 CV 1 ASSI { 532} (( segid " A" and resid 273 and name HN )) (( segid " A" and resid 273 and name HB1 )) 6.000 4.500 0.000 peak 532 spectrum 1 weight 0.10000E+01 volume 0.31900E-02 ppm1 7.563 ppm2 3.288 CV 1 ASSI { 533} (( segid " A" and resid 248 and name HN )) (( segid " A" and resid 243 and name HB1 )) 6.000 4.500 0.000 peak 533 spectrum 1 weight 0.10000E+01 volume 0.11857E-02 ppm1 7.902 ppm2 3.131 CV 1 ASSI { 534} (( segid " A" and resid 273 and name HN )) (( segid " A" and resid 273 and name HB2 )) 6.000 4.500 0.000 peak 534 spectrum 1 weight 0.10000E+01 volume 0.33418E-02 ppm1 7.563 ppm2 2.937 CV 1 ASSI { 535} (( segid " A" and resid 285 and name HN )) (( segid " A" and resid 286 and name HB )) 6.000 4.500 0.000 peak 535 spectrum 1 weight 0.10000E+01 volume 0.20074E-02 ppm1 7.702 ppm2 2.340 CV 1 ASSI { 536} (( segid " A" and resid 273 and name HN )) (( segid " A" and resid 280 and name HB2 )) 6.000 4.500 0.000 peak 536 spectrum 1 weight 0.10000E+01 volume 0.16663E-02 ppm1 7.563 ppm2 2.228 CV 1 ASSI { 537} (( segid " A" and resid 273 and name HN )) (( segid " A" and resid 272 and name HB2 )) 6.000 4.500 0.000 peak 537 spectrum 1 weight 0.10000E+01 volume 0.70423E-03 ppm1 7.563 ppm2 2.015 CV 1 ASSI { 538} (( segid " A" and resid 285 and name HN )) (( segid " A" and resid 284 and name HB2 )) 6.000 4.500 0.000 peak 538 spectrum 1 weight 0.10000E+01 volume 0.34803E-02 ppm1 7.690 ppm2 1.959 CV 1 ASSI { 539} (( segid " A" and resid 273 and name HN )) (( segid " A" and resid 270 and name HB1 )) 6.000 4.500 0.000 peak 539 spectrum 1 weight 0.10000E+01 volume 0.45397E-03 ppm1 7.563 ppm2 1.914 CV 1 OR { 539} (( segid " A" and resid 273 and name HN )) (( segid " A" and resid 270 and name HG2 )) ASSI { 540} (( segid " A" and resid 248 and name HN )) (( segid " A" and resid 248 and name HB2 )) 6.000 4.500 0.000 peak 540 spectrum 1 weight 0.10000E+01 volume 0.32983E-02 ppm1 7.902 ppm2 1.807 CV 1 ASSI { 541} (( segid " A" and resid 248 and name HN )) (( segid " A" and resid 248 and name HB1 )) 6.000 4.500 0.000 peak 541 spectrum 1 weight 0.10000E+01 volume 0.55926E-02 ppm1 7.903 ppm2 1.588 CV 1 ASSI { 542} (( segid " A" and resid 273 and name HN )) (( segid " A" and resid 272 and name HB1 )) 6.000 4.500 0.000 peak 542 spectrum 1 weight 0.10000E+01 volume 0.84385E-03 ppm1 7.564 ppm2 1.514 CV 1 ASSI { 543} (( segid " A" and resid 285 and name HN )) ( segid " A" and resid 285 and name HB% ) 6.000 4.500 0.000 peak 543 spectrum 1 weight 0.10000E+01 volume 0.60504E-02 ppm1 7.689 ppm2 1.495 CV 1 ASSI { 544} (( segid " A" and resid 202 and name HN )) (( segid " A" and resid 201 and name HB1 )) 6.000 4.500 0.000 peak 544 spectrum 1 weight 0.10000E+01 volume 0.17400E-02 ppm1 7.956 ppm2 1.408 CV 1 ASSI { 545} (( segid " A" and resid 248 and name HN )) (( segid " A" and resid 248 and name HG1 )) 6.000 4.500 0.000 peak 545 spectrum 1 weight 0.10000E+01 volume 0.59550E-02 ppm1 7.902 ppm2 1.337 CV 1 OR { 545} (( segid " A" and resid 248 and name HN )) (( segid " A" and resid 248 and name HG2 )) ASSI { 546} (( segid " A" and resid 273 and name HN )) (( segid " A" and resid 280 and name HB1 )) 6.000 4.500 0.000 peak 546 spectrum 1 weight 0.10000E+01 volume 0.54133E-03 ppm1 7.562 ppm2 1.340 CV 1 ASSI { 547} (( segid " A" and resid 242 and name HN )) (( segid " A" and resid 242 and name HB2 )) 6.000 4.500 0.000 peak 547 spectrum 1 weight 0.10000E+01 volume 0.19368E-02 ppm1 8.452 ppm2 1.329 CV 1 ASSI { 548} (( segid " A" and resid 248 and name HN )) ( segid " A" and resid 246 and name HG2%) 6.000 4.500 0.000 peak 548 spectrum 1 weight 0.10000E+01 volume 0.11796E-02 ppm1 7.901 ppm2 1.170 CV 1 ASSI { 549} (( segid " A" and resid 273 and name HN )) ( segid " A" and resid 280 and name HD1%) 6.000 4.500 0.000 peak 549 spectrum 1 weight 0.10000E+01 volume 0.15385E-02 ppm1 7.563 ppm2 1.009 CV 1 OR { 549} (( segid " A" and resid 273 and name HN )) ( segid " A" and resid 275 and name HD1%) ASSI { 550} (( segid " A" and resid 285 and name HN )) ( segid " A" and resid 211 and name HG2%) 6.000 4.500 0.000 peak 550 spectrum 1 weight 0.10000E+01 volume 0.28344E-02 ppm1 7.688 ppm2 0.942 CV 1 OR { 550} (( segid " A" and resid 169 and name HN )) ( segid " A" and resid 185 and name HG1%) OR { 550} (( segid " A" and resid 285 and name HN )) ( segid " A" and resid 267 and name HG1%) OR { 550} (( segid " A" and resid 285 and name HN )) ( segid " A" and resid 267 and name HG2%) ASSI { 551} (( segid " A" and resid 273 and name HN )) ( segid " A" and resid 280 and name HD2%) 6.000 4.500 0.000 peak 551 spectrum 1 weight 0.10000E+01 volume 0.78434E-03 ppm1 7.567 ppm2 0.835 CV 1 ASSI { 553} (( segid " A" and resid 273 and name HN )) ( segid " A" and resid 272 and name HD2%) 6.000 4.500 0.000 peak 553 spectrum 1 weight 0.10000E+01 volume 0.78853E-03 ppm1 7.567 ppm2 0.678 CV 1 ASSI { 554} (( segid " A" and resid 273 and name HN )) ( segid " A" and resid 270 and name HE% ) 6.000 4.500 0.000 peak 554 spectrum 1 weight 0.10000E+01 volume 0.51005E-03 ppm1 7.570 ppm2 0.171 CV 1 ASSI { 555} (( segid " A" and resid 279 and name HN )) (( segid " A" and resid 280 and name HN )) 6.000 4.500 0.000 peak 555 spectrum 1 weight 0.10000E+01 volume 0.71185E-03 ppm1 8.216 ppm2 9.219 CV 1 ASSI { 556} (( segid " A" and resid 202 and name HN )) (( segid " A" and resid 201 and name HN )) 6.000 4.500 0.000 peak 556 spectrum 1 weight 0.10000E+01 volume 0.30122E-02 ppm1 7.959 ppm2 8.607 CV 1 ASSI { 557} (( segid " A" and resid 202 and name HN )) (( segid " A" and resid 204 and name HN )) 6.000 4.500 0.000 peak 557 spectrum 1 weight 0.10000E+01 volume 0.80608E-03 ppm1 7.960 ppm2 8.444 CV 1 ASSI { 558} (( segid " A" and resid 202 and name HN )) (( segid " A" and resid 205 and name HN )) 6.000 4.500 0.000 peak 558 spectrum 1 weight 0.10000E+01 volume 0.53217E-03 ppm1 7.958 ppm2 8.181 CV 1 ASSI { 559} (( segid " A" and resid 129 and name HN )) (( segid " A" and resid 130 and name HN )) 6.000 4.500 0.000 peak 559 spectrum 1 weight 0.10000E+01 volume 0.22954E-02 ppm1 8.859 ppm2 7.912 CV 1 ASSI { 560} (( segid " A" and resid 202 and name HN )) (( segid " A" and resid 203 and name HN )) 6.000 4.500 0.000 peak 560 spectrum 1 weight 0.10000E+01 volume 0.36493E-02 ppm1 7.959 ppm2 7.773 CV 1 ASSI { 561} (( segid " A" and resid 129 and name HN )) (( segid " A" and resid 131 and name HN )) 6.000 4.500 0.000 peak 561 spectrum 1 weight 0.10000E+01 volume 0.54057E-03 ppm1 8.860 ppm2 7.710 CV 1 ASSI { 563} (( segid " A" and resid 279 and name HN )) (( segid " A" and resid 278 and name HN )) 6.000 4.500 0.000 peak 563 spectrum 1 weight 0.10000E+01 volume 0.75611E-03 ppm1 8.216 ppm2 7.090 CV 1 ASSI { 564} (( segid " A" and resid 279 and name HN )) ( segid " A" and resid 279 and name HD% ) 6.000 4.500 0.000 peak 564 spectrum 1 weight 0.10000E+01 volume 0.16251E-02 ppm1 8.215 ppm2 6.955 CV 1 ASSI { 565} (( segid " A" and resid 279 and name HN )) ( segid " A" and resid 279 and name HE% ) 6.000 4.500 0.000 peak 565 spectrum 1 weight 0.10000E+01 volume 0.37729E-03 ppm1 8.219 ppm2 6.730 CV 1 ASSI { 566} (( segid " A" and resid 279 and name HN )) (( segid " A" and resid 279 and name HA )) 6.000 4.500 0.000 peak 566 spectrum 1 weight 0.10000E+01 volume 0.28085E-02 ppm1 8.214 ppm2 4.781 CV 1 ASSI { 567} (( segid " A" and resid 202 and name HN )) (( segid " A" and resid 199 and name HA )) 6.000 4.500 0.000 peak 567 spectrum 1 weight 0.10000E+01 volume 0.15927E-02 ppm1 7.958 ppm2 4.373 CV 1 ASSI { 568} (( segid " A" and resid 279 and name HN )) (( segid " A" and resid 278 and name HA )) 6.000 4.500 0.000 peak 568 spectrum 1 weight 0.10000E+01 volume 0.96860E-02 ppm1 8.215 ppm2 4.317 CV 1 ASSI { 569} (( segid " A" and resid 242 and name HN )) (( segid " A" and resid 241 and name HA )) 6.000 4.500 0.000 peak 569 spectrum 1 weight 0.10000E+01 volume 0.64052E-02 ppm1 8.451 ppm2 4.106 CV 1 ASSI { 570} (( segid " A" and resid 202 and name HN )) (( segid " A" and resid 203 and name HA )) 6.000 4.500 0.000 peak 570 spectrum 1 weight 0.10000E+01 volume 0.77785E-03 ppm1 7.959 ppm2 4.053 CV 1 ASSI { 571} (( segid " A" and resid 129 and name HN )) (( segid " A" and resid 130 and name HA )) 6.000 4.500 0.000 peak 571 spectrum 1 weight 0.10000E+01 volume 0.57757E-03 ppm1 8.860 ppm2 4.000 CV 1 ASSI { 572} (( segid " A" and resid 202 and name HN )) (( segid " A" and resid 202 and name HA )) 6.000 4.500 0.000 peak 572 spectrum 1 weight 0.10000E+01 volume 0.46694E-02 ppm1 7.958 ppm2 3.901 CV 1 ASSI { 573} (( segid " A" and resid 279 and name HN )) (( segid " A" and resid 272 and name HA )) 6.000 4.500 0.000 peak 573 spectrum 1 weight 0.10000E+01 volume 0.44634E-03 ppm1 8.213 ppm2 3.867 CV 1 ASSI { 574} (( segid " A" and resid 202 and name HN )) (( segid " A" and resid 198 and name HA )) 6.000 4.500 0.000 peak 574 spectrum 1 weight 0.10000E+01 volume 0.45702E-03 ppm1 7.955 ppm2 3.520 CV 1 ASSI { 575} (( segid " A" and resid 279 and name HN )) (( segid " A" and resid 279 and name HB2 )) 6.000 4.500 0.000 peak 575 spectrum 1 weight 0.10000E+01 volume 0.27913E-02 ppm1 8.215 ppm2 2.710 CV 1 ASSI { 576} (( segid " A" and resid 202 and name HN )) (( segid " A" and resid 199 and name HB1 )) 6.000 4.500 0.000 peak 576 spectrum 1 weight 0.10000E+01 volume 0.51463E-03 ppm1 7.953 ppm2 2.639 CV 1 OR { 576} (( segid " A" and resid 202 and name HN )) (( segid " A" and resid 199 and name HB2 )) ASSI { 577} (( segid " A" and resid 279 and name HN )) (( segid " A" and resid 279 and name HB1 )) 6.000 4.500 0.000 peak 577 spectrum 1 weight 0.10000E+01 volume 0.18746E-02 ppm1 8.215 ppm2 2.512 CV 1 ASSI { 578} (( segid " A" and resid 279 and name HN )) (( segid " A" and resid 278 and name HG2 )) 6.000 4.500 0.000 peak 578 spectrum 1 weight 0.10000E+01 volume 0.96364E-03 ppm1 8.212 ppm2 2.303 CV 1 ASSI { 579} (( segid " A" and resid 279 and name HN )) (( segid " A" and resid 278 and name HG1 )) 6.000 4.500 0.000 peak 579 spectrum 1 weight 0.10000E+01 volume 0.10708E-02 ppm1 8.215 ppm2 2.217 CV 1 ASSI { 580} (( segid " A" and resid 202 and name HN )) (( segid " A" and resid 201 and name HB2 )) 6.000 4.500 0.000 peak 580 spectrum 1 weight 0.10000E+01 volume 0.30298E-02 ppm1 7.958 ppm2 2.132 CV 1 ASSI { 581} (( segid " A" and resid 279 and name HN )) (( segid " A" and resid 278 and name HB2 )) 6.000 4.500 0.000 peak 581 spectrum 1 weight 0.10000E+01 volume 0.23019E-02 ppm1 8.215 ppm2 2.103 CV 1 ASSI { 582} (( segid " A" and resid 279 and name HN )) (( segid " A" and resid 278 and name HB1 )) 6.000 4.500 0.000 peak 582 spectrum 1 weight 0.10000E+01 volume 0.14867E-02 ppm1 8.215 ppm2 1.923 CV 1 ASSI { 583} (( segid " A" and resid 202 and name HN )) (( segid " A" and resid 201 and name HG )) 6.000 4.500 0.000 peak 583 spectrum 1 weight 0.10000E+01 volume 0.98042E-03 ppm1 7.962 ppm2 1.838 CV 1 ASSI { 584} (( segid " A" and resid 242 and name HN )) (( segid " A" and resid 242 and name HB1 )) 6.000 4.500 0.000 peak 584 spectrum 1 weight 0.10000E+01 volume 0.23385E-02 ppm1 8.453 ppm2 1.581 CV 1 ASSI { 585} (( segid " A" and resid 129 and name HN )) (( segid " A" and resid 129 and name HG1 )) 6.000 4.500 0.000 peak 585 spectrum 1 weight 0.10000E+01 volume 0.16251E-02 ppm1 8.859 ppm2 1.514 CV 1 OR { 585} (( segid " A" and resid 129 and name HN )) (( segid " A" and resid 129 and name HG2 )) ASSI { 586} (( segid " A" and resid 202 and name HN )) ( segid " A" and resid 202 and name HB% ) 6.000 4.500 0.000 peak 586 spectrum 1 weight 0.10000E+01 volume 0.94151E-02 ppm1 7.959 ppm2 1.538 CV 1 ASSI { 587} (( segid " A" and resid 202 and name HN )) ( segid " A" and resid 205 and name HB% ) 6.000 4.500 0.000 peak 587 spectrum 1 weight 0.10000E+01 volume 0.54667E-03 ppm1 7.959 ppm2 1.114 CV 1 ASSI { 588} (( segid " A" and resid 242 and name HN )) ( segid " A" and resid 241 and name HB% ) 6.000 4.500 0.000 peak 588 spectrum 1 weight 0.10000E+01 volume 0.32854E-02 ppm1 8.451 ppm2 0.759 CV 1 ASSI { 589} (( segid " A" and resid 202 and name HN )) ( segid " A" and resid 201 and name HD1%) 6.000 4.500 0.000 peak 589 spectrum 1 weight 0.10000E+01 volume 0.18830E-02 ppm1 7.959 ppm2 0.775 CV 1 OR { 589} (( segid " A" and resid 202 and name HN )) ( segid " A" and resid 201 and name HD2%) ASSI { 590} (( segid " A" and resid 129 and name HN )) ( segid " A" and resid 128 and name HG2%) 6.000 4.500 0.000 peak 590 spectrum 1 weight 0.10000E+01 volume 0.17075E-02 ppm1 8.860 ppm2 0.507 CV 1 ASSI { 591} (( segid " A" and resid 176 and name HN )) (( segid " A" and resid 177 and name HN )) 6.000 4.500 0.000 peak 591 spectrum 1 weight 0.10000E+01 volume 0.82020E-03 ppm1 7.351 ppm2 8.248 CV 1 ASSI { 592} (( segid " A" and resid 204 and name HN )) (( segid " A" and resid 205 and name HN )) 6.000 4.500 0.000 peak 592 spectrum 1 weight 0.10000E+01 volume 0.22893E-02 ppm1 8.445 ppm2 8.183 CV 1 ASSI { 594} (( segid " A" and resid 204 and name HN )) (( segid " A" and resid 203 and name HN )) 6.000 4.500 0.000 peak 594 spectrum 1 weight 0.10000E+01 volume 0.26052E-02 ppm1 8.444 ppm2 7.771 CV 1 ASSI { 595} (( segid " A" and resid 204 and name HN )) (( segid " A" and resid 206 and name HN )) 6.000 4.500 0.000 peak 595 spectrum 1 weight 0.10000E+01 volume 0.38683E-03 ppm1 8.446 ppm2 7.439 CV 1 ASSI { 597} (( segid " A" and resid 176 and name HN )) (( segid " A" and resid 173 and name HA )) 6.000 4.500 0.000 peak 597 spectrum 1 weight 0.10000E+01 volume 0.79731E-03 ppm1 7.355 ppm2 5.002 CV 1 ASSI { 598} (( segid " A" and resid 176 and name HN )) (( segid " A" and resid 174 and name HA )) 6.000 4.500 0.000 peak 598 spectrum 1 weight 0.10000E+01 volume 0.59893E-03 ppm1 7.350 ppm2 4.427 CV 1 OR { 598} (( segid " A" and resid 176 and name HN )) (( segid " A" and resid 172 and name HA )) ASSI { 599} (( segid " A" and resid 129 and name HN )) (( segid " A" and resid 126 and name HA )) 6.000 4.500 0.000 peak 599 spectrum 1 weight 0.10000E+01 volume 0.10937E-02 ppm1 8.860 ppm2 4.328 CV 1 ASSI { 600} (( segid " A" and resid 176 and name HN )) (( segid " A" and resid 175 and name HA )) 6.000 4.500 0.000 peak 600 spectrum 1 weight 0.10000E+01 volume 0.95906E-03 ppm1 7.351 ppm2 4.324 CV 1 ASSI { 601} (( segid " A" and resid 204 and name HN )) (( segid " A" and resid 204 and name HA )) 6.000 4.500 0.000 peak 601 spectrum 1 weight 0.10000E+01 volume 0.46084E-02 ppm1 8.446 ppm2 4.042 CV 1 ASSI { 602} (( segid " A" and resid 176 and name HN )) (( segid " A" and resid 176 and name HA )) 6.000 4.500 0.000 peak 602 spectrum 1 weight 0.10000E+01 volume 0.28951E-02 ppm1 7.353 ppm2 4.024 CV 1 ASSI { 603} (( segid " A" and resid 129 and name HN )) (( segid " A" and resid 129 and name HA )) 6.000 4.500 0.000 peak 603 spectrum 1 weight 0.10000E+01 volume 0.28997E-02 ppm1 8.859 ppm2 3.655 CV 1 ASSI { 604} (( segid " A" and resid 204 and name HN )) (( segid " A" and resid 204 and name HG2 )) 6.000 4.500 0.000 peak 604 spectrum 1 weight 0.10000E+01 volume 0.33807E-02 ppm1 8.446 ppm2 2.635 CV 1 ASSI { 605} (( segid " A" and resid 204 and name HN )) (( segid " A" and resid 204 and name HG1 )) 6.000 4.500 0.000 peak 605 spectrum 1 weight 0.10000E+01 volume 0.43337E-02 ppm1 8.446 ppm2 2.276 CV 1 ASSI { 607} (( segid " A" and resid 204 and name HN )) (( segid " A" and resid 204 and name HB2 )) 6.000 4.500 0.000 peak 607 spectrum 1 weight 0.10000E+01 volume 0.59359E-02 ppm1 8.445 ppm2 2.139 CV 1 ASSI { 608} (( segid " A" and resid 176 and name HN )) (( segid " A" and resid 176 and name HB )) 6.000 4.500 0.000 peak 608 spectrum 1 weight 0.10000E+01 volume 0.43032E-02 ppm1 7.351 ppm2 2.046 CV 1 ASSI { 609} (( segid " A" and resid 129 and name HN )) (( segid " A" and resid 129 and name HB2 )) 6.000 4.500 0.000 peak 609 spectrum 1 weight 0.10000E+01 volume 0.48296E-02 ppm1 8.859 ppm2 1.920 CV 1 ASSI { 610} (( segid " A" and resid 176 and name HN )) (( segid " A" and resid 173 and name HB1 )) 6.000 4.500 0.000 peak 610 spectrum 1 weight 0.10000E+01 volume 0.60733E-03 ppm1 7.358 ppm2 1.890 CV 1 OR { 610} (( segid " A" and resid 176 and name HN )) (( segid " A" and resid 177 and name HB1 )) ASSI { 611} (( segid " A" and resid 176 and name HN )) (( segid " A" and resid 183 and name HG12)) 6.000 4.500 0.000 peak 611 spectrum 1 weight 0.10000E+01 volume 0.16362E-02 ppm1 7.352 ppm2 1.483 CV 1 OR { 611} (( segid " A" and resid 176 and name HN )) (( segid " A" and resid 183 and name HG11)) ASSI { 612} (( segid " A" and resid 129 and name HN )) (( segid " A" and resid 128 and name HG11)) 6.000 4.500 0.000 peak 612 spectrum 1 weight 0.10000E+01 volume 0.76374E-03 ppm1 8.861 ppm2 1.183 CV 1 OR { 612} (( segid " A" and resid 129 and name HN )) (( segid " A" and resid 128 and name HG12)) ASSI { 613} (( segid " A" and resid 204 and name HN )) ( segid " A" and resid 205 and name HB% ) 6.000 4.500 0.000 peak 613 spectrum 1 weight 0.10000E+01 volume 0.84614E-03 ppm1 8.446 ppm2 1.122 CV 1 OR { 613} (( segid " A" and resid 204 and name HN )) ( segid " A" and resid 207 and name HB% ) ASSI { 614} (( segid " A" and resid 176 and name HN )) ( segid " A" and resid 176 and name HG1%) 6.000 4.500 0.000 peak 614 spectrum 1 weight 0.10000E+01 volume 0.55468E-02 ppm1 7.352 ppm2 0.994 CV 1 ASSI { 615} (( segid " A" and resid 176 and name HN )) ( segid " A" and resid 176 and name HG2%) 6.000 4.500 0.000 peak 615 spectrum 1 weight 0.10000E+01 volume 0.42803E-02 ppm1 7.352 ppm2 0.865 CV 1 ASSI { 616} (( segid " A" and resid 129 and name HN )) ( segid " A" and resid 141 and name HD1%) 6.000 4.500 0.000 peak 616 spectrum 1 weight 0.10000E+01 volume 0.21085E-02 ppm1 8.860 ppm2 0.721 CV 1 OR { 616} (( segid " A" and resid 129 and name HN )) ( segid " A" and resid 138 and name HD1%) ASSI { 617} (( segid " A" and resid 220 and name HN )) (( segid " A" and resid 219 and name HN )) 6.000 4.500 0.000 peak 617 spectrum 1 weight 0.10000E+01 volume 0.16167E-02 ppm1 7.839 ppm2 11.148 CV 1 ASSI { 618} (( segid " A" and resid 220 and name HN )) (( segid " A" and resid 221 and name HN )) 6.000 4.500 0.000 peak 618 spectrum 1 weight 0.10000E+01 volume 0.59741E-03 ppm1 7.839 ppm2 9.340 CV 1 ASSI { 619} (( segid " A" and resid 201 and name HN )) (( segid " A" and resid 204 and name HN )) 6.000 4.500 0.000 peak 619 spectrum 1 weight 0.10000E+01 volume 0.64662E-03 ppm1 8.617 ppm2 8.457 CV 1 ASSI { 620} (( segid " A" and resid 220 and name HN )) (( segid " A" and resid 218 and name HN )) 6.000 4.500 0.000 peak 620 spectrum 1 weight 0.10000E+01 volume 0.52760E-03 ppm1 7.839 ppm2 8.045 CV 1 ASSI { 621} (( segid " A" and resid 249 and name HN )) (( segid " A" and resid 248 and name HN )) 6.000 4.500 0.000 peak 621 spectrum 1 weight 0.10000E+01 volume 0.40552E-03 ppm1 8.465 ppm2 7.907 CV 1 ASSI { 622} (( segid " A" and resid 201 and name HN )) (( segid " A" and resid 203 and name HN )) 6.000 4.500 0.000 peak 622 spectrum 1 weight 0.10000E+01 volume 0.62564E-03 ppm1 8.613 ppm2 7.777 CV 1 ASSI { 623} (( segid " A" and resid 220 and name HN )) (( segid " A" and resid 219 and name HA )) 6.000 4.500 0.000 peak 623 spectrum 1 weight 0.10000E+01 volume 0.19769E-02 ppm1 7.840 ppm2 4.730 CV 1 ASSI { 624} (( segid " A" and resid 220 and name HN )) (( segid " A" and resid 220 and name HA )) 6.000 4.500 0.000 peak 624 spectrum 1 weight 0.10000E+01 volume 0.19982E-02 ppm1 7.839 ppm2 4.583 CV 1 ASSI { 625} (( segid " A" and resid 201 and name HN )) (( segid " A" and resid 200 and name HA )) 6.000 4.500 0.000 peak 625 spectrum 1 weight 0.10000E+01 volume 0.10296E-02 ppm1 8.610 ppm2 4.103 CV 1 ASSI { 626} (( segid " A" and resid 201 and name HN )) (( segid " A" and resid 201 and name HA )) 6.000 4.500 0.000 peak 626 spectrum 1 weight 0.10000E+01 volume 0.20287E-02 ppm1 8.609 ppm2 3.925 CV 1 ASSI { 627} (( segid " A" and resid 201 and name HN )) (( segid " A" and resid 198 and name HA )) 6.000 4.500 0.000 peak 627 spectrum 1 weight 0.10000E+01 volume 0.94838E-03 ppm1 8.609 ppm2 3.521 CV 1 ASSI { 628} (( segid " A" and resid 220 and name HN )) (( segid " A" and resid 219 and name HB1 )) 6.000 4.500 0.000 peak 628 spectrum 1 weight 0.10000E+01 volume 0.10510E-02 ppm1 7.841 ppm2 2.713 CV 1 ASSI { 630} (( segid " A" and resid 220 and name HN )) (( segid " A" and resid 220 and name HB1 )) 6.000 4.500 0.000 peak 630 spectrum 1 weight 0.10000E+01 volume 0.26635E-02 ppm1 7.841 ppm2 1.967 CV 1 ASSI { 631} (( segid " A" and resid 201 and name HN )) (( segid " A" and resid 201 and name HG )) 6.000 4.500 0.000 peak 631 spectrum 1 weight 0.10000E+01 volume 0.29733E-02 ppm1 8.609 ppm2 1.829 CV 1 ASSI { 632} (( segid " A" and resid 220 and name HN )) (( segid " A" and resid 220 and name HG )) 6.000 4.500 0.000 peak 632 spectrum 1 weight 0.10000E+01 volume 0.30557E-02 ppm1 7.840 ppm2 1.584 CV 1 ASSI { 633} (( segid " A" and resid 201 and name HN )) ( segid " A" and resid 202 and name HB% ) 6.000 4.500 0.000 peak 633 spectrum 1 weight 0.10000E+01 volume 0.10403E-02 ppm1 8.612 ppm2 1.545 CV 1 OR { 633} (( segid " A" and resid 199 and name HN )) ( segid " A" and resid 202 and name HB% ) ASSI { 634} (( segid " A" and resid 201 and name HN )) (( segid " A" and resid 201 and name HB1 )) 6.000 4.500 0.000 peak 634 spectrum 1 weight 0.10000E+01 volume 0.19891E-02 ppm1 8.610 ppm2 1.410 CV 1 ASSI { 635} (( segid " A" and resid 220 and name HN )) (( segid " A" and resid 220 and name HB2 )) 6.000 4.500 0.000 peak 635 spectrum 1 weight 0.10000E+01 volume 0.20810E-02 ppm1 7.840 ppm2 1.259 CV 1 ASSI { 636} (( segid " A" and resid 220 and name HN )) ( segid " A" and resid 220 and name HD2%) 6.000 4.500 0.000 peak 636 spectrum 1 weight 0.10000E+01 volume 0.22161E-02 ppm1 7.841 ppm2 0.883 CV 1 ASSI { 637} (( segid " A" and resid 201 and name HN )) ( segid " A" and resid 201 and name HD1%) 6.000 4.500 0.000 peak 637 spectrum 1 weight 0.10000E+01 volume 0.35238E-02 ppm1 8.609 ppm2 0.776 CV 1 ASSI { 638} (( segid " A" and resid 220 and name HN )) ( segid " A" and resid 220 and name HD1%) 6.000 4.500 0.000 peak 638 spectrum 1 weight 0.10000E+01 volume 0.28085E-02 ppm1 7.842 ppm2 0.669 CV 1 ASSI { 639} (( segid " A" and resid 113 and name HN )) (( segid " A" and resid 114 and name HN )) 6.000 4.500 0.000 peak 639 spectrum 1 weight 0.10000E+01 volume 0.74543E-03 ppm1 7.385 ppm2 9.063 CV 1 ASSI { 640} (( segid " A" and resid 199 and name HN )) (( segid " A" and resid 200 and name HN )) 6.000 4.500 0.000 peak 640 spectrum 1 weight 0.10000E+01 volume 0.24030E-02 ppm1 8.614 ppm2 7.621 CV 1 ASSI { 641} (( segid " A" and resid 113 and name HN )) (( segid " A" and resid 112 and name HN )) 6.000 4.500 0.000 peak 641 spectrum 1 weight 0.10000E+01 volume 0.29169E-02 ppm1 7.388 ppm2 7.204 CV 1 ASSI { 642} (( segid " A" and resid 249 and name HN )) (( segid " A" and resid 249 and name HD2 )) 6.000 4.500 0.000 peak 642 spectrum 1 weight 0.10000E+01 volume 0.69774E-03 ppm1 8.476 ppm2 7.053 CV 1 ASSI { 643} (( segid " A" and resid 123 and name HN )) ( segid " A" and resid 120 and name HD% ) 6.000 4.500 0.000 peak 643 spectrum 1 weight 0.10000E+01 volume 0.64815E-03 ppm1 7.746 ppm2 7.056 CV 1 ASSI { 644} (( segid " A" and resid 249 and name HN )) (( segid " A" and resid 249 and name HA )) 6.000 4.500 0.000 peak 644 spectrum 1 weight 0.10000E+01 volume 0.79960E-03 ppm1 8.472 ppm2 5.350 CV 1 ASSI { 645} (( segid " A" and resid 113 and name HN )) (( segid " A" and resid 113 and name HA )) 6.000 4.500 0.000 peak 645 spectrum 1 weight 0.10000E+01 volume 0.15038E-02 ppm1 7.387 ppm2 5.335 CV 1 ASSI { 646} (( segid " A" and resid 249 and name HN )) (( segid " A" and resid 248 and name HA )) 6.000 4.500 0.000 peak 646 spectrum 1 weight 0.10000E+01 volume 0.52035E-02 ppm1 8.472 ppm2 4.403 CV 1 ASSI { 647} (( segid " A" and resid 123 and name HN )) (( segid " A" and resid 123 and name HA )) 6.000 4.500 0.000 peak 647 spectrum 1 weight 0.10000E+01 volume 0.17575E-02 ppm1 7.747 ppm2 4.374 CV 1 ASSI { 648} (( segid " A" and resid 113 and name HN )) (( segid " A" and resid 112 and name HA )) 6.000 4.500 0.000 peak 648 spectrum 1 weight 0.10000E+01 volume 0.13737E-02 ppm1 7.389 ppm2 4.117 CV 1 ASSI { 649} (( segid " A" and resid 125 and name HN )) (( segid " A" and resid 124 and name HA1 )) 6.000 4.500 0.000 peak 649 spectrum 1 weight 0.10000E+01 volume 0.88391E-03 ppm1 8.881 ppm2 3.904 CV 1 ASSI { 650} (( segid " A" and resid 199 and name HN )) (( segid " A" and resid 197 and name HA )) 6.000 4.500 0.000 peak 650 spectrum 1 weight 0.10000E+01 volume 0.14737E-02 ppm1 8.612 ppm2 3.880 CV 1 OR { 650} (( segid " A" and resid 201 and name HN )) (( segid " A" and resid 197 and name HA )) OR { 650} (( segid " A" and resid 201 and name HN )) (( segid " A" and resid 202 and name HA )) ASSI { 651} (( segid " A" and resid 113 and name HN )) (( segid " A" and resid 111 and name HA )) 6.000 4.500 0.000 peak 651 spectrum 1 weight 0.10000E+01 volume 0.59359E-03 ppm1 7.384 ppm2 3.866 CV 1 ASSI { 652} (( segid " A" and resid 113 and name HN )) (( segid " A" and resid 110 and name HA )) 6.000 4.500 0.000 peak 652 spectrum 1 weight 0.10000E+01 volume 0.97279E-03 ppm1 7.389 ppm2 3.642 CV 1 ASSI { 653} (( segid " A" and resid 249 and name HN )) (( segid " A" and resid 249 and name HB1 )) 6.000 4.500 0.000 peak 653 spectrum 1 weight 0.10000E+01 volume 0.70651E-03 ppm1 8.470 ppm2 3.255 CV 1 ASSI { 654} (( segid " A" and resid 113 and name HN )) (( segid " A" and resid 112 and name HB2 )) 6.000 4.500 0.000 peak 654 spectrum 1 weight 0.10000E+01 volume 0.11323E-02 ppm1 7.388 ppm2 3.048 CV 1 ASSI { 656} (( segid " A" and resid 125 and name HN )) (( segid " A" and resid 125 and name HB2 )) 6.000 4.500 0.000 peak 656 spectrum 1 weight 0.10000E+01 volume 0.99416E-03 ppm1 8.878 ppm2 2.135 CV 1 ASSI { 657} (( segid " A" and resid 249 and name HN )) (( segid " A" and resid 248 and name HB2 )) 6.000 4.500 0.000 peak 657 spectrum 1 weight 0.10000E+01 volume 0.20226E-02 ppm1 8.472 ppm2 1.804 CV 1 ASSI { 658} (( segid " A" and resid 123 and name HN )) (( segid " A" and resid 123 and name HG )) 6.000 4.500 0.000 peak 658 spectrum 1 weight 0.10000E+01 volume 0.30382E-02 ppm1 7.748 ppm2 1.800 CV 1 ASSI { 659} (( segid " A" and resid 113 and name HN )) (( segid " A" and resid 113 and name HB2 )) 6.000 4.500 0.000 peak 659 spectrum 1 weight 0.10000E+01 volume 0.54972E-02 ppm1 7.388 ppm2 1.720 CV 1 ASSI { 660} (( segid " A" and resid 249 and name HN )) (( segid " A" and resid 248 and name HB1 )) 6.000 4.500 0.000 peak 660 spectrum 1 weight 0.10000E+01 volume 0.22130E-02 ppm1 8.472 ppm2 1.583 CV 1 ASSI { 661} (( segid " A" and resid 249 and name HN )) (( segid " A" and resid 248 and name HG2 )) 6.000 4.500 0.000 peak 661 spectrum 1 weight 0.10000E+01 volume 0.17575E-02 ppm1 8.472 ppm2 1.334 CV 1 OR { 661} (( segid " A" and resid 249 and name HN )) (( segid " A" and resid 248 and name HG1 )) OR { 661} (( segid " A" and resid 249 and name HN )) (( segid " A" and resid 242 and name HB2 )) ASSI { 662} (( segid " A" and resid 123 and name HN )) (( segid " A" and resid 123 and name HB1 )) 6.000 4.500 0.000 peak 662 spectrum 1 weight 0.10000E+01 volume 0.20013E-02 ppm1 7.748 ppm2 1.341 CV 1 ASSI { 663} (( segid " A" and resid 123 and name HN )) ( segid " A" and resid 123 and name HD1%) 6.000 4.500 0.000 peak 663 spectrum 1 weight 0.10000E+01 volume 0.29516E-02 ppm1 7.748 ppm2 0.912 CV 1 ASSI { 664} (( segid " A" and resid 123 and name HN )) ( segid " A" and resid 119 and name HG2%) 6.000 4.500 0.000 peak 664 spectrum 1 weight 0.10000E+01 volume 0.74962E-03 ppm1 7.749 ppm2 0.670 CV 1 ASSI { 668} (( segid " A" and resid 199 and name HN )) (( segid " A" and resid 197 and name HN )) 6.000 4.500 0.000 peak 668 spectrum 1 weight 0.10000E+01 volume 0.48411E-03 ppm1 8.616 ppm2 7.122 CV 1 ASSI { 669} (( segid " A" and resid 199 and name HN )) (( segid " A" and resid 199 and name HA )) 6.000 4.500 0.000 peak 669 spectrum 1 weight 0.10000E+01 volume 0.40590E-02 ppm1 8.618 ppm2 4.379 CV 1 ASSI { 670} (( segid " A" and resid 203 and name HN )) (( segid " A" and resid 203 and name HA )) 6.000 4.500 0.000 peak 670 spectrum 1 weight 0.10000E+01 volume 0.53256E-02 ppm1 7.771 ppm2 4.047 CV 1 ASSI { 671} (( segid " A" and resid 199 and name HN )) (( segid " A" and resid 198 and name HA )) 6.000 4.500 0.000 peak 671 spectrum 1 weight 0.10000E+01 volume 0.93045E-03 ppm1 8.617 ppm2 3.517 CV 1 ASSI { 672} (( segid " A" and resid 199 and name HN )) (( segid " A" and resid 199 and name HB2 )) 6.000 4.500 0.000 peak 672 spectrum 1 weight 0.10000E+01 volume 0.54247E-02 ppm1 8.617 ppm2 2.666 CV 1 ASSI { 673} (( segid " A" and resid 199 and name HN )) (( segid " A" and resid 198 and name HB )) 6.000 4.500 0.000 peak 673 spectrum 1 weight 0.10000E+01 volume 0.32507E-02 ppm1 8.618 ppm2 1.970 CV 1 ASSI { 674} (( segid " A" and resid 199 and name HN )) (( segid " A" and resid 198 and name HG11)) 6.000 4.500 0.000 peak 674 spectrum 1 weight 0.10000E+01 volume 0.60656E-03 ppm1 8.612 ppm2 1.208 CV 1 ASSI { 675} (( segid " A" and resid 199 and name HN )) ( segid " A" and resid 198 and name HG2%) 6.000 4.500 0.000 peak 675 spectrum 1 weight 0.10000E+01 volume 0.22405E-02 ppm1 8.615 ppm2 0.890 CV 1 ASSI { 677} (( segid " A" and resid 258 and name HN )) (( segid " A" and resid 259 and name HN )) 6.000 4.500 0.000 peak 677 spectrum 1 weight 0.10000E+01 volume 0.17964E-02 ppm1 8.268 ppm2 8.782 CV 1 ASSI { 679} (( segid " A" and resid 203 and name HN )) (( segid " A" and resid 205 and name HN )) 6.000 4.500 0.000 peak 679 spectrum 1 weight 0.10000E+01 volume 0.74962E-03 ppm1 7.768 ppm2 8.188 CV 1 ASSI { 680} (( segid " A" and resid 258 and name HN )) ( segid " A" and resid 257 and name HD% ) 6.000 4.500 0.000 peak 680 spectrum 1 weight 0.10000E+01 volume 0.95906E-03 ppm1 8.268 ppm2 6.928 CV 1 ASSI { 681} (( segid " A" and resid 258 and name HN )) (( segid " A" and resid 257 and name HA )) 6.000 4.500 0.000 peak 681 spectrum 1 weight 0.10000E+01 volume 0.35757E-02 ppm1 8.270 ppm2 4.826 CV 1 ASSI { 682} (( segid " A" and resid 258 and name HN )) (( segid " A" and resid 258 and name HA )) 6.000 4.500 0.000 peak 682 spectrum 1 weight 0.10000E+01 volume 0.31942E-02 ppm1 8.269 ppm2 4.052 CV 1 ASSI { 683} (( segid " A" and resid 203 and name HN )) (( segid " A" and resid 202 and name HA )) 6.000 4.500 0.000 peak 683 spectrum 1 weight 0.10000E+01 volume 0.15774E-02 ppm1 7.772 ppm2 3.901 CV 1 ASSI { 684} (( segid " A" and resid 258 and name HN )) (( segid " A" and resid 257 and name HB2 )) 6.000 4.500 0.000 peak 684 spectrum 1 weight 0.10000E+01 volume 0.92205E-03 ppm1 8.269 ppm2 3.535 CV 1 ASSI { 685} (( segid " A" and resid 258 and name HN )) (( segid " A" and resid 257 and name HB1 )) 6.000 4.500 0.000 peak 685 spectrum 1 weight 0.10000E+01 volume 0.83622E-03 ppm1 8.268 ppm2 2.718 CV 1 ASSI { 686} (( segid " A" and resid 258 and name HN )) (( segid " A" and resid 258 and name HB1 )) 6.000 4.500 0.000 peak 686 spectrum 1 weight 0.10000E+01 volume 0.40514E-02 ppm1 8.269 ppm2 2.176 CV 1 ASSI { 687} (( segid " A" and resid 203 and name HN )) (( segid " A" and resid 203 and name HB1 )) 6.000 4.500 0.000 peak 687 spectrum 1 weight 0.10000E+01 volume 0.10567E-01 ppm1 7.771 ppm2 2.156 CV 1 OR { 687} (( segid " A" and resid 203 and name HN )) (( segid " A" and resid 203 and name HB2 )) ASSI { 688} (( segid " A" and resid 258 and name HN )) (( segid " A" and resid 258 and name HB2 )) 6.000 4.500 0.000 peak 688 spectrum 1 weight 0.10000E+01 volume 0.28779E-02 ppm1 8.269 ppm2 1.918 CV 1 ASSI { 689} (( segid " A" and resid 258 and name HN )) (( segid " A" and resid 234 and name HB1 )) 6.000 4.500 0.000 peak 689 spectrum 1 weight 0.10000E+01 volume 0.10373E-02 ppm1 8.271 ppm2 1.737 CV 1 OR { 689} (( segid " A" and resid 258 and name HN )) (( segid " A" and resid 256 and name HB2 )) OR { 689} (( segid " A" and resid 258 and name HN )) (( segid " A" and resid 234 and name HB2 )) ASSI { 690} (( segid " A" and resid 258 and name HN )) (( segid " A" and resid 259 and name HG1 )) 6.000 4.500 0.000 peak 690 spectrum 1 weight 0.10000E+01 volume 0.48563E-03 ppm1 8.270 ppm2 1.572 CV 1 OR { 690} (( segid " A" and resid 258 and name HN )) (( segid " A" and resid 235 and name HB )) OR { 690} (( segid " A" and resid 258 and name HN )) (( segid " A" and resid 234 and name HD2 )) ASSI { 691} (( segid " A" and resid 203 and name HN )) ( segid " A" and resid 202 and name HB% ) 6.000 4.500 0.000 peak 691 spectrum 1 weight 0.10000E+01 volume 0.50204E-02 ppm1 7.770 ppm2 1.538 CV 1 ASSI { 692} (( segid " A" and resid 258 and name HN )) (( segid " A" and resid 236 and name HB2 )) 6.000 4.500 0.000 peak 692 spectrum 1 weight 0.10000E+01 volume 0.50318E-03 ppm1 8.269 ppm2 1.468 CV 1 ASSI { 693} (( segid " A" and resid 258 and name HN )) (( segid " A" and resid 236 and name HG2 )) 6.000 4.500 0.000 peak 693 spectrum 1 weight 0.10000E+01 volume 0.79311E-03 ppm1 8.267 ppm2 1.314 CV 1 OR { 693} (( segid " A" and resid 258 and name HN )) (( segid " A" and resid 236 and name HG1 )) ASSI { 694} (( segid " A" and resid 281 and name HN )) (( segid " A" and resid 280 and name HN )) 6.000 4.500 0.000 peak 694 spectrum 1 weight 0.10000E+01 volume 0.48182E-03 ppm1 7.744 ppm2 9.228 CV 1 ASSI { 695} (( segid " A" and resid 284 and name HN )) (( segid " A" and resid 283 and name HN )) 6.000 4.500 0.000 peak 695 spectrum 1 weight 0.10000E+01 volume 0.10109E-02 ppm1 8.580 ppm2 8.993 CV 1 ASSI { 697} (( segid " A" and resid 109 and name HN )) (( segid " A" and resid 108 and name HN )) 6.000 4.500 0.000 peak 697 spectrum 1 weight 0.10000E+01 volume 0.23969E-02 ppm1 7.389 ppm2 8.133 CV 1 ASSI { 700} (( segid " A" and resid 109 and name HN )) (( segid " A" and resid 110 and name HN )) 6.000 4.500 0.000 peak 700 spectrum 1 weight 0.10000E+01 volume 0.23477E-02 ppm1 7.388 ppm2 7.567 CV 1 ASSI { 701} (( segid " A" and resid 281 and name HN )) (( segid " A" and resid 281 and name HA )) 6.000 4.500 0.000 peak 701 spectrum 1 weight 0.10000E+01 volume 0.64090E-03 ppm1 7.746 ppm2 5.246 CV 1 ASSI { 702} (( segid " A" and resid 281 and name HN )) (( segid " A" and resid 280 and name HA )) 6.000 4.500 0.000 peak 702 spectrum 1 weight 0.10000E+01 volume 0.47152E-02 ppm1 7.744 ppm2 4.447 CV 1 ASSI { 703} (( segid " A" and resid 284 and name HN )) (( segid " A" and resid 284 and name HA )) 6.000 4.500 0.000 peak 703 spectrum 1 weight 0.10000E+01 volume 0.31900E-02 ppm1 8.581 ppm2 4.397 CV 1 ASSI { 704} (( segid " A" and resid 109 and name HN )) (( segid " A" and resid 109 and name HA )) 6.000 4.500 0.000 peak 704 spectrum 1 weight 0.10000E+01 volume 0.42841E-02 ppm1 7.388 ppm2 4.068 CV 1 ASSI { 705} (( segid " A" and resid 284 and name HN )) (( segid " A" and resid 283 and name HA2 )) 6.000 4.500 0.000 peak 705 spectrum 1 weight 0.10000E+01 volume 0.50204E-02 ppm1 8.579 ppm2 4.005 CV 1 ASSI { 706} (( segid " A" and resid 284 and name HN )) (( segid " A" and resid 284 and name HB2 )) 6.000 4.500 0.000 peak 706 spectrum 1 weight 0.10000E+01 volume 0.38606E-02 ppm1 8.580 ppm2 1.961 CV 1 ASSI { 707} (( segid " A" and resid 109 and name HN )) (( segid " A" and resid 108 and name HB1 )) 6.000 4.500 0.000 peak 707 spectrum 1 weight 0.10000E+01 volume 0.29645E-02 ppm1 7.386 ppm2 1.789 CV 1 ASSI { 708} (( segid " A" and resid 284 and name HN )) (( segid " A" and resid 284 and name HG2 )) 6.000 4.500 0.000 peak 708 spectrum 1 weight 0.10000E+01 volume 0.50890E-02 ppm1 8.579 ppm2 1.514 CV 1 OR { 708} (( segid " A" and resid 284 and name HN )) (( segid " A" and resid 284 and name HG1 )) ASSI { 709} (( segid " A" and resid 109 and name HN )) ( segid " A" and resid 109 and name HB% ) 6.000 4.500 0.000 peak 709 spectrum 1 weight 0.10000E+01 volume 0.11147E-01 ppm1 7.388 ppm2 1.423 CV 1 ASSI { 710} (( segid " A" and resid 281 and name HN )) (( segid " A" and resid 281 and name HG2 )) 6.000 4.500 0.000 peak 710 spectrum 1 weight 0.10000E+01 volume 0.21394E-02 ppm1 7.745 ppm2 0.956 CV 1 ASSI { 711} (( segid " A" and resid 284 and name HN )) ( segid " A" and resid 267 and name HG2%) 6.000 4.500 0.000 peak 711 spectrum 1 weight 0.10000E+01 volume 0.54247E-02 ppm1 8.579 ppm2 0.948 CV 1 OR { 711} (( segid " A" and resid 284 and name HN )) ( segid " A" and resid 267 and name HG1%) OR { 711} (( segid " A" and resid 284 and name HN )) ( segid " A" and resid 282 and name HG2%) ASSI { 712} (( segid " A" and resid 281 and name HN )) ( segid " A" and resid 280 and name HD2%) 6.000 4.500 0.000 peak 712 spectrum 1 weight 0.10000E+01 volume 0.22649E-02 ppm1 7.743 ppm2 0.856 CV 1 ASSI { 713} (( segid " A" and resid 109 and name HN )) ( segid " A" and resid 108 and name HD2%) 6.000 4.500 0.000 peak 713 spectrum 1 weight 0.10000E+01 volume 0.19338E-02 ppm1 7.387 ppm2 0.821 CV 1 OR { 713} (( segid " A" and resid 109 and name HN )) ( segid " A" and resid 108 and name HD1%) OR { 713} (( segid " A" and resid 109 and name HN )) ( segid " A" and resid 110 and name HG2%) ASSI { 714} (( segid " A" and resid 281 and name HN )) ( segid " A" and resid 213 and name HG2%) 6.000 4.500 0.000 peak 714 spectrum 1 weight 0.10000E+01 volume 0.66417E-03 ppm1 7.748 ppm2 0.348 CV 1 OR { 714} (( segid " A" and resid 281 and name HN )) ( segid " A" and resid 216 and name HG2%) ASSI { 718} (( segid " A" and resid 205 and name HN )) (( segid " A" and resid 206 and name HN )) 6.000 4.500 0.000 peak 718 spectrum 1 weight 0.10000E+01 volume 0.30298E-02 ppm1 8.181 ppm2 7.443 CV 1 ASSI { 719} (( segid " A" and resid 284 and name HN )) (( segid " A" and resid 211 and name HA )) 6.000 4.500 0.000 peak 719 spectrum 1 weight 0.10000E+01 volume 0.82134E-03 ppm1 8.580 ppm2 5.033 CV 1 ASSI { 720} (( segid " A" and resid 284 and name HN )) (( segid " A" and resid 283 and name HA1 )) 6.000 4.500 0.000 peak 720 spectrum 1 weight 0.10000E+01 volume 0.61038E-02 ppm1 8.582 ppm2 4.557 CV 1 ASSI { 721} (( segid " A" and resid 194 and name HN )) (( segid " A" and resid 194 and name HA )) 6.000 4.500 0.000 peak 721 spectrum 1 weight 0.10000E+01 volume 0.13520E-02 ppm1 7.639 ppm2 4.466 CV 1 ASSI { 722} (( segid " A" and resid 205 and name HN )) (( segid " A" and resid 206 and name HA )) 6.000 4.500 0.000 peak 722 spectrum 1 weight 0.10000E+01 volume 0.46351E-03 ppm1 8.180 ppm2 4.171 CV 1 ASSI { 723} (( segid " A" and resid 205 and name HN )) (( segid " A" and resid 204 and name HA )) 6.000 4.500 0.000 peak 723 spectrum 1 weight 0.10000E+01 volume 0.22283E-02 ppm1 8.180 ppm2 4.020 CV 1 ASSI { 724} (( segid " A" and resid 205 and name HN )) (( segid " A" and resid 205 and name HA )) 6.000 4.500 0.000 peak 724 spectrum 1 weight 0.10000E+01 volume 0.38606E-02 ppm1 8.181 ppm2 3.872 CV 1 ASSI { 725} (( segid " A" and resid 205 and name HN )) (( segid " A" and resid 204 and name HB2 )) 6.000 4.500 0.000 peak 725 spectrum 1 weight 0.10000E+01 volume 0.28390E-02 ppm1 8.181 ppm2 2.112 CV 1 ASSI { 726} (( segid " A" and resid 284 and name HN )) (( segid " A" and resid 284 and name HB1 )) 6.000 4.500 0.000 peak 726 spectrum 1 weight 0.10000E+01 volume 0.57566E-02 ppm1 8.582 ppm2 1.807 CV 1 ASSI { 727} (( segid " A" and resid 205 and name HN )) ( segid " A" and resid 205 and name HB% ) 6.000 4.500 0.000 peak 727 spectrum 1 weight 0.10000E+01 volume 0.87170E-02 ppm1 8.181 ppm2 1.120 CV 1 ASSI { 728} (( segid " A" and resid 284 and name HN )) ( segid " A" and resid 286 and name HG1%) 6.000 4.500 0.000 peak 728 spectrum 1 weight 0.10000E+01 volume 0.11841E-02 ppm1 8.587 ppm2 0.776 CV 1 ASSI { 729} (( segid " A" and resid 181 and name HN )) (( segid " A" and resid 178 and name HN )) 6.000 4.500 0.000 peak 729 spectrum 1 weight 0.10000E+01 volume 0.11185E-02 ppm1 7.366 ppm2 8.518 CV 1 ASSI { 730} (( segid " A" and resid 131 and name HN )) (( segid " A" and resid 132 and name HN )) 6.000 4.500 0.000 peak 730 spectrum 1 weight 0.10000E+01 volume 0.28303E-02 ppm1 7.720 ppm2 8.075 CV 1 ASSI { 731} (( segid " A" and resid 131 and name HN )) (( segid " A" and resid 130 and name HN )) 6.000 4.500 0.000 peak 731 spectrum 1 weight 0.10000E+01 volume 0.35326E-02 ppm1 7.719 ppm2 7.912 CV 1 ASSI { 732} (( segid " A" and resid 131 and name HN )) (( segid " A" and resid 131 and name HA )) 6.000 4.500 0.000 peak 732 spectrum 1 weight 0.10000E+01 volume 0.37664E-02 ppm1 7.719 ppm2 4.173 CV 1 ASSI { 733} (( segid " A" and resid 194 and name HN )) (( segid " A" and resid 193 and name HA )) 6.000 4.500 0.000 peak 733 spectrum 1 weight 0.10000E+01 volume 0.51844E-03 ppm1 7.634 ppm2 4.153 CV 1 ASSI { 734} (( segid " A" and resid 131 and name HN )) (( segid " A" and resid 130 and name HA )) 6.000 4.500 0.000 peak 734 spectrum 1 weight 0.10000E+01 volume 0.18269E-02 ppm1 7.718 ppm2 3.998 CV 1 ASSI { 735} (( segid " A" and resid 131 and name HN )) (( segid " A" and resid 128 and name HA )) 6.000 4.500 0.000 peak 735 spectrum 1 weight 0.10000E+01 volume 0.13932E-02 ppm1 7.718 ppm2 3.689 CV 1 ASSI { 736} (( segid " A" and resid 131 and name HN )) (( segid " A" and resid 132 and name HB1 )) 6.000 4.500 0.000 peak 736 spectrum 1 weight 0.10000E+01 volume 0.47495E-03 ppm1 7.719 ppm2 2.829 CV 1 ASSI { 737} (( segid " A" and resid 109 and name HN )) (( segid " A" and resid 111 and name HB2 )) 6.000 4.500 0.000 peak 737 spectrum 1 weight 0.10000E+01 volume 0.88619E-03 ppm1 7.368 ppm2 2.265 CV 1 OR { 737} (( segid " A" and resid 181 and name HN )) (( segid " A" and resid 177 and name HG2 )) OR { 737} (( segid " A" and resid 181 and name HN )) (( segid " A" and resid 177 and name HG1 )) ASSI { 738} (( segid " A" and resid 131 and name HN )) (( segid " A" and resid 130 and name HB2 )) 6.000 4.500 0.000 peak 738 spectrum 1 weight 0.10000E+01 volume 0.39713E-02 ppm1 7.719 ppm2 2.146 CV 1 ASSI { 740} (( segid " A" and resid 194 and name HN )) (( segid " A" and resid 193 and name HB2 )) 6.000 4.500 0.000 peak 740 spectrum 1 weight 0.10000E+01 volume 0.52073E-03 ppm1 7.640 ppm2 2.059 CV 1 ASSI { 741} (( segid " A" and resid 181 and name HN )) ( segid " A" and resid 177 and name HE% ) 6.000 4.500 0.000 peak 741 spectrum 1 weight 0.10000E+01 volume 0.22740E-02 ppm1 7.368 ppm2 1.879 CV 1 OR { 741} (( segid " A" and resid 181 and name HN )) (( segid " A" and resid 177 and name HB1 )) ASSI { 742} (( segid " A" and resid 131 and name HN )) ( segid " A" and resid 133 and name HB% ) 6.000 4.500 0.000 peak 742 spectrum 1 weight 0.10000E+01 volume 0.76488E-03 ppm1 7.719 ppm2 1.559 CV 1 ASSI { 743} (( segid " A" and resid 131 and name HN )) ( segid " A" and resid 131 and name HB% ) 6.000 4.500 0.000 peak 743 spectrum 1 weight 0.10000E+01 volume 0.76984E-02 ppm1 7.719 ppm2 1.418 CV 1 ASSI { 744} (( segid " A" and resid 194 and name HN )) ( segid " A" and resid 194 and name HB% ) 6.000 4.500 0.000 peak 744 spectrum 1 weight 0.10000E+01 volume 0.39408E-02 ppm1 7.640 ppm2 1.410 CV 1 ASSI { 745} (( segid " A" and resid 194 and name HN )) ( segid " A" and resid 191 and name HG2%) 6.000 4.500 0.000 peak 745 spectrum 1 weight 0.10000E+01 volume 0.68248E-03 ppm1 7.637 ppm2 0.837 CV 1 OR { 745} (( segid " A" and resid 194 and name HN )) ( segid " A" and resid 110 and name HG2%) OR { 745} (( segid " A" and resid 194 and name HN )) ( segid " A" and resid 197 and name HG2%) ASSI { 746} (( segid " A" and resid 131 and name HN )) ( segid " A" and resid 178 and name HD1%) 6.000 4.500 0.000 peak 746 spectrum 1 weight 0.10000E+01 volume 0.12608E-02 ppm1 7.719 ppm2 0.792 CV 1 OR { 746} (( segid " A" and resid 131 and name HN )) ( segid " A" and resid 178 and name HD2%) OR { 746} (( segid " A" and resid 281 and name HN )) ( segid " A" and resid 272 and name HD1%) ASSI { 747} (( segid " A" and resid 194 and name HN )) ( segid " A" and resid 110 and name HD1%) 6.000 4.500 0.000 peak 747 spectrum 1 weight 0.10000E+01 volume 0.61648E-03 ppm1 7.640 ppm2 0.705 CV 1 OR { 747} (( segid " A" and resid 194 and name HN )) ( segid " A" and resid 198 and name HD1%) ASSI { 748} (( segid " A" and resid 131 and name HN )) ( segid " A" and resid 128 and name HG2%) 6.000 4.500 0.000 peak 748 spectrum 1 weight 0.10000E+01 volume 0.63098E-03 ppm1 7.716 ppm2 0.499 CV 1 ASSI { 749} (( segid " A" and resid 216 and name HN )) (( segid " A" and resid 217 and name HN )) 6.000 4.500 0.000 peak 749 spectrum 1 weight 0.10000E+01 volume 0.47648E-03 ppm1 8.091 ppm2 8.887 CV 1 OR { 749} (( segid " A" and resid 216 and name HN )) (( segid " A" and resid 214 and name HN )) ASSI { 750} (( segid " A" and resid 211 and name HN )) (( segid " A" and resid 255 and name HN )) 6.000 4.500 0.000 peak 750 spectrum 1 weight 0.10000E+01 volume 0.10571E-02 ppm1 9.508 ppm2 8.762 CV 1 ASSI { 751} (( segid " A" and resid 207 and name HN )) (( segid " A" and resid 205 and name HN )) 6.000 4.500 0.000 peak 751 spectrum 1 weight 0.10000E+01 volume 0.42116E-03 ppm1 7.272 ppm2 8.182 CV 1 ASSI { 752} (( segid " A" and resid 207 and name HN )) (( segid " A" and resid 208 and name HN )) 6.000 4.500 0.000 peak 752 spectrum 1 weight 0.10000E+01 volume 0.31164E-02 ppm1 7.273 ppm2 7.675 CV 1 ASSI { 753} (( segid " A" and resid 207 and name HN )) (( segid " A" and resid 206 and name HN )) 6.000 4.500 0.000 peak 753 spectrum 1 weight 0.10000E+01 volume 0.36276E-02 ppm1 7.273 ppm2 7.440 CV 1 ASSI { 754} (( segid " A" and resid 216 and name HN )) (( segid " A" and resid 249 and name HE1 )) 6.000 4.500 0.000 peak 754 spectrum 1 weight 0.10000E+01 volume 0.50776E-03 ppm1 8.086 ppm2 7.401 CV 1 ASSI { 756} (( segid " A" and resid 211 and name HN )) (( segid " A" and resid 210 and name HA )) 6.000 4.500 0.000 peak 756 spectrum 1 weight 0.10000E+01 volume 0.35757E-02 ppm1 9.507 ppm2 5.708 CV 1 ASSI { 757} (( segid " A" and resid 216 and name HN )) (( segid " A" and resid 252 and name HA )) 6.000 4.500 0.000 peak 757 spectrum 1 weight 0.10000E+01 volume 0.47648E-03 ppm1 8.082 ppm2 5.589 CV 1 ASSI { 759} (( segid " A" and resid 207 and name HN )) (( segid " A" and resid 207 and name HA )) 6.000 4.500 0.000 peak 759 spectrum 1 weight 0.10000E+01 volume 0.52226E-02 ppm1 7.273 ppm2 4.095 CV 1 ASSI { 760} (( segid " A" and resid 165 and name HN )) (( segid " A" and resid 163 and name HA )) 6.000 4.500 0.000 peak 760 spectrum 1 weight 0.10000E+01 volume 0.81676E-03 ppm1 6.290 ppm2 4.103 CV 1 ASSI { 761} (( segid " A" and resid 207 and name HN )) (( segid " A" and resid 205 and name HA )) 6.000 4.500 0.000 peak 761 spectrum 1 weight 0.10000E+01 volume 0.60733E-03 ppm1 7.269 ppm2 3.838 CV 1 ASSI { 762} (( segid " A" and resid 165 and name HN )) (( segid " A" and resid 164 and name HA )) 6.000 4.500 0.000 peak 762 spectrum 1 weight 0.10000E+01 volume 0.88085E-03 ppm1 6.287 ppm2 3.276 CV 1 ASSI { 763} (( segid " A" and resid 211 and name HN )) (( segid " A" and resid 211 and name HB )) 6.000 4.500 0.000 peak 763 spectrum 1 weight 0.10000E+01 volume 0.64967E-03 ppm1 9.508 ppm2 1.965 CV 1 ASSI { 764} (( segid " A" and resid 207 and name HN )) (( segid " A" and resid 206 and name HB2 )) 6.000 4.500 0.000 peak 764 spectrum 1 weight 0.10000E+01 volume 0.40743E-02 ppm1 7.273 ppm2 1.971 CV 1 OR { 764} (( segid " A" and resid 207 and name HN )) (( segid " A" and resid 206 and name HB1 )) ASSI { 765} (( segid " A" and resid 211 and name HN )) (( segid " A" and resid 210 and name HB2 )) 6.000 4.500 0.000 peak 765 spectrum 1 weight 0.10000E+01 volume 0.57528E-03 ppm1 9.509 ppm2 1.825 CV 1 ASSI { 766} (( segid " A" and resid 207 and name HN )) (( segid " A" and resid 206 and name HG2 )) 6.000 4.500 0.000 peak 766 spectrum 1 weight 0.10000E+01 volume 0.81142E-03 ppm1 7.274 ppm2 1.731 CV 1 ASSI { 767} (( segid " A" and resid 211 and name HN )) (( segid " A" and resid 210 and name HG2 )) 6.000 4.500 0.000 peak 767 spectrum 1 weight 0.10000E+01 volume 0.63708E-03 ppm1 9.508 ppm2 1.690 CV 1 ASSI { 768} (( segid " A" and resid 211 and name HN )) (( segid " A" and resid 210 and name HG1 )) 6.000 4.500 0.000 peak 768 spectrum 1 weight 0.10000E+01 volume 0.85377E-03 ppm1 9.506 ppm2 1.467 CV 1 OR { 768} (( segid " A" and resid 211 and name HN )) ( segid " A" and resid 285 and name HB% ) ASSI { 769} (( segid " A" and resid 211 and name HN )) (( segid " A" and resid 211 and name HG12)) 6.000 4.500 0.000 peak 769 spectrum 1 weight 0.10000E+01 volume 0.15515E-02 ppm1 9.506 ppm2 1.215 CV 1 ASSI { 770} (( segid " A" and resid 207 and name HN )) ( segid " A" and resid 207 and name HB% ) 6.000 4.500 0.000 peak 770 spectrum 1 weight 0.10000E+01 volume 0.11445E-01 ppm1 7.273 ppm2 1.127 CV 1 ASSI { 771} (( segid " A" and resid 211 and name HN )) ( segid " A" and resid 211 and name HG2%) 6.000 4.500 0.000 peak 771 spectrum 1 weight 0.10000E+01 volume 0.18205E-02 ppm1 9.506 ppm2 0.961 CV 1 ASSI { 772} (( segid " A" and resid 211 and name HN )) ( segid " A" and resid 211 and name HD1%) 6.000 4.500 0.000 peak 772 spectrum 1 weight 0.10000E+01 volume 0.65807E-03 ppm1 9.506 ppm2 0.710 CV 1 ASSI { 774} (( segid " A" and resid 271 and name HN )) (( segid " A" and resid 272 and name HN )) 6.000 4.500 0.000 peak 774 spectrum 1 weight 0.10000E+01 volume 0.72483E-03 ppm1 7.806 ppm2 9.208 CV 1 ASSI { 775} (( segid " A" and resid 271 and name HN )) (( segid " A" and resid 282 and name HN )) 6.000 4.500 0.000 peak 775 spectrum 1 weight 0.10000E+01 volume 0.42994E-03 ppm1 7.799 ppm2 8.650 CV 1 ASSI { 776} (( segid " A" and resid 216 and name HN )) (( segid " A" and resid 215 and name HN )) 6.000 4.500 0.000 peak 776 spectrum 1 weight 0.10000E+01 volume 0.28215E-02 ppm1 8.086 ppm2 8.225 CV 1 ASSI { 777} (( segid " A" and resid 110 and name HN )) (( segid " A" and resid 111 and name HN )) 6.000 4.500 0.000 peak 777 spectrum 1 weight 0.10000E+01 volume 0.20226E-02 ppm1 7.573 ppm2 8.161 CV 1 ASSI { 778} (( segid " A" and resid 165 and name HN )) (( segid " A" and resid 167 and name HN )) 6.000 4.500 0.000 peak 778 spectrum 1 weight 0.10000E+01 volume 0.59512E-03 ppm1 6.283 ppm2 7.396 CV 1 ASSI { 779} (( segid " A" and resid 271 and name HN )) (( segid " A" and resid 269 and name HN )) 6.000 4.500 0.000 peak 779 spectrum 1 weight 0.10000E+01 volume 0.53523E-03 ppm1 7.800 ppm2 7.316 CV 1 ASSI { 780} (( segid " A" and resid 110 and name HN )) (( segid " A" and resid 112 and name HN )) 6.000 4.500 0.000 peak 780 spectrum 1 weight 0.10000E+01 volume 0.43718E-03 ppm1 7.578 ppm2 7.218 CV 1 ASSI { 781} (( segid " A" and resid 165 and name HN )) ( segid " A" and resid 160 and name HD% ) 6.000 4.500 0.000 peak 781 spectrum 1 weight 0.10000E+01 volume 0.57910E-03 ppm1 6.284 ppm2 6.792 CV 1 OR { 781} (( segid " A" and resid 165 and name HN )) ( segid " A" and resid 252 and name HD% ) OR { 781} (( segid " A" and resid 165 and name HN )) ( segid " A" and resid 252 and name HE% ) ASSI { 782} (( segid " A" and resid 165 and name HN )) (( segid " A" and resid 166 and name HN )) 6.000 4.500 0.000 peak 782 spectrum 1 weight 0.10000E+01 volume 0.37706E-02 ppm1 6.285 ppm2 5.891 CV 1 ASSI { 783} (( segid " A" and resid 216 and name HN )) (( segid " A" and resid 214 and name HA )) 6.000 4.500 0.000 peak 783 spectrum 1 weight 0.10000E+01 volume 0.98042E-03 ppm1 8.090 ppm2 5.074 CV 1 ASSI { 784} (( segid " A" and resid 271 and name HN )) (( segid " A" and resid 270 and name HA )) 6.000 4.500 0.000 peak 784 spectrum 1 weight 0.10000E+01 volume 0.11582E-02 ppm1 7.802 ppm2 4.919 CV 1 ASSI { 785} (( segid " A" and resid 271 and name HN )) (( segid " A" and resid 271 and name HA )) 6.000 4.500 0.000 peak 785 spectrum 1 weight 0.10000E+01 volume 0.19093E-02 ppm1 7.803 ppm2 4.433 CV 1 ASSI { 786} (( segid " A" and resid 216 and name HN )) (( segid " A" and resid 251 and name HA2 )) 6.000 4.500 0.000 peak 786 spectrum 1 weight 0.10000E+01 volume 0.51234E-03 ppm1 8.089 ppm2 4.295 CV 1 ASSI { 787} (( segid " A" and resid 216 and name HN )) (( segid " A" and resid 251 and name HA1 )) 6.000 4.500 0.000 peak 787 spectrum 1 weight 0.10000E+01 volume 0.10357E-02 ppm1 8.087 ppm2 4.127 CV 1 ASSI { 788} (( segid " A" and resid 110 and name HN )) (( segid " A" and resid 108 and name HA )) 6.000 4.500 0.000 peak 788 spectrum 1 weight 0.10000E+01 volume 0.12791E-02 ppm1 7.570 ppm2 3.988 CV 1 ASSI { 789} (( segid " A" and resid 216 and name HN )) (( segid " A" and resid 215 and name HA )) 6.000 4.500 0.000 peak 789 spectrum 1 weight 0.10000E+01 volume 0.30775E-02 ppm1 8.086 ppm2 3.832 CV 1 ASSI { 790} (( segid " A" and resid 110 and name HN )) (( segid " A" and resid 110 and name HA )) 6.000 4.500 0.000 peak 790 spectrum 1 weight 0.10000E+01 volume 0.17987E-02 ppm1 7.573 ppm2 3.650 CV 1 ASSI { 791} (( segid " A" and resid 165 and name HN )) (( segid " A" and resid 165 and name HA )) 6.000 4.500 0.000 peak 791 spectrum 1 weight 0.10000E+01 volume 0.22252E-02 ppm1 6.285 ppm2 3.596 CV 1 ASSI { 792} (( segid " A" and resid 216 and name HN )) (( segid " A" and resid 216 and name HA )) 6.000 4.500 0.000 peak 792 spectrum 1 weight 0.10000E+01 volume 0.12440E-02 ppm1 8.087 ppm2 3.431 CV 1 ASSI { 793} (( segid " A" and resid 271 and name HN )) (( segid " A" and resid 271 and name HB2 )) 6.000 4.500 0.000 peak 793 spectrum 1 weight 0.10000E+01 volume 0.46694E-02 ppm1 7.803 ppm2 2.879 CV 1 ASSI { 794} (( segid " A" and resid 165 and name HN )) (( segid " A" and resid 162 and name HB )) 6.000 4.500 0.000 peak 794 spectrum 1 weight 0.10000E+01 volume 0.38950E-03 ppm1 6.282 ppm2 2.184 CV 1 ASSI { 795} (( segid " A" and resid 271 and name HN )) (( segid " A" and resid 270 and name HB1 )) 6.000 4.500 0.000 peak 795 spectrum 1 weight 0.10000E+01 volume 0.11841E-02 ppm1 7.803 ppm2 1.907 CV 1 ASSI { 796} (( segid " A" and resid 165 and name HN )) (( segid " A" and resid 168 and name HG )) 6.000 4.500 0.000 peak 796 spectrum 1 weight 0.10000E+01 volume 0.47419E-03 ppm1 6.285 ppm2 1.883 CV 1 OR { 796} (( segid " A" and resid 165 and name HN )) (( segid " A" and resid 163 and name HG2 )) ASSI { 797} (( segid " A" and resid 110 and name HN )) (( segid " A" and resid 110 and name HB )) 6.000 4.500 0.000 peak 797 spectrum 1 weight 0.10000E+01 volume 0.51501E-02 ppm1 7.571 ppm2 1.850 CV 1 ASSI { 798} (( segid " A" and resid 271 and name HN )) (( segid " A" and resid 282 and name HB )) 6.000 4.500 0.000 peak 798 spectrum 1 weight 0.10000E+01 volume 0.11998E-02 ppm1 7.802 ppm2 1.759 CV 1 ASSI { 799} (( segid " A" and resid 110 and name HN )) (( segid " A" and resid 110 and name HG11)) 6.000 4.500 0.000 peak 799 spectrum 1 weight 0.10000E+01 volume 0.29603E-02 ppm1 7.572 ppm2 1.685 CV 1 ASSI { 800} (( segid " A" and resid 165 and name HN )) ( segid " A" and resid 166 and name HB% ) 6.000 4.500 0.000 peak 800 spectrum 1 weight 0.10000E+01 volume 0.14062E-02 ppm1 6.286 ppm2 1.438 CV 1 ASSI { 801} (( segid " A" and resid 110 and name HN )) ( segid " A" and resid 109 and name HB% ) 6.000 4.500 0.000 peak 801 spectrum 1 weight 0.10000E+01 volume 0.41544E-02 ppm1 7.573 ppm2 1.417 CV 1 ASSI { 802} (( segid " A" and resid 216 and name HN )) (( segid " A" and resid 216 and name HB )) 6.000 4.500 0.000 peak 802 spectrum 1 weight 0.10000E+01 volume 0.45664E-02 ppm1 8.087 ppm2 1.255 CV 1 ASSI { 803} (( segid " A" and resid 110 and name HN )) (( segid " A" and resid 110 and name HG12)) 6.000 4.500 0.000 peak 803 spectrum 1 weight 0.10000E+01 volume 0.15691E-02 ppm1 7.573 ppm2 1.015 CV 1 ASSI { 804} (( segid " A" and resid 165 and name HN )) ( segid " A" and resid 162 and name HG1%) 6.000 4.500 0.000 peak 804 spectrum 1 weight 0.10000E+01 volume 0.13253E-02 ppm1 6.285 ppm2 1.035 CV 1 ASSI { 805} (( segid " A" and resid 216 and name HN )) ( segid " A" and resid 280 and name HD2%) 6.000 4.500 0.000 peak 805 spectrum 1 weight 0.10000E+01 volume 0.97890E-03 ppm1 8.086 ppm2 0.856 CV 1 ASSI { 806} (( segid " A" and resid 110 and name HN )) ( segid " A" and resid 110 and name HG2%) 6.000 4.500 0.000 peak 806 spectrum 1 weight 0.10000E+01 volume 0.33201E-02 ppm1 7.570 ppm2 0.833 CV 1 ASSI { 807} (( segid " A" and resid 165 and name HN )) (( segid " A" and resid 164 and name HB1 )) 6.000 4.500 0.000 peak 807 spectrum 1 weight 0.10000E+01 volume 0.47304E-02 ppm1 6.285 ppm2 0.748 CV 1 ASSI { 808} (( segid " A" and resid 110 and name HN )) ( segid " A" and resid 110 and name HD1%) 6.000 4.500 0.000 peak 808 spectrum 1 weight 0.10000E+01 volume 0.17335E-02 ppm1 7.571 ppm2 0.715 CV 1 ASSI { 809} (( segid " A" and resid 216 and name HN )) ( segid " A" and resid 216 and name HG1%) 6.000 4.500 0.000 peak 809 spectrum 1 weight 0.10000E+01 volume 0.21363E-02 ppm1 8.086 ppm2 0.641 CV 1 ASSI { 810} (( segid " A" and resid 165 and name HN )) ( segid " A" and resid 165 and name HB% ) 6.000 4.500 0.000 peak 810 spectrum 1 weight 0.10000E+01 volume 0.63174E-02 ppm1 6.286 ppm2 0.628 CV 1 ASSI { 811} (( segid " A" and resid 216 and name HN )) ( segid " A" and resid 216 and name HG2%) 6.000 4.500 0.000 peak 811 spectrum 1 weight 0.10000E+01 volume 0.52531E-02 ppm1 8.086 ppm2 0.349 CV 1 ASSI { 812} (( segid " A" and resid 250 and name HN )) (( segid " A" and resid 251 and name HN )) 6.000 4.500 0.000 peak 812 spectrum 1 weight 0.10000E+01 volume 0.81676E-03 ppm1 8.601 ppm2 11.189 CV 1 ASSI { 815} (( segid " A" and resid 250 and name HN )) (( segid " A" and resid 249 and name HN )) 6.000 4.500 0.000 peak 815 spectrum 1 weight 0.10000E+01 volume 0.67714E-03 ppm1 8.598 ppm2 8.479 CV 1 ASSI { 816} (( segid " A" and resid 250 and name HN )) (( segid " A" and resid 243 and name HN )) 6.000 4.500 0.000 peak 816 spectrum 1 weight 0.10000E+01 volume 0.62182E-03 ppm1 8.599 ppm2 8.382 CV 1 ASSI { 817} (( segid " A" and resid 228 and name HN )) (( segid " A" and resid 229 and name HN )) 6.000 4.500 0.000 peak 817 spectrum 1 weight 0.10000E+01 volume 0.17941E-02 ppm1 7.240 ppm2 8.303 CV 1 ASSI { 818} (( segid " A" and resid 228 and name HN )) (( segid " A" and resid 227 and name HN )) 6.000 4.500 0.000 peak 818 spectrum 1 weight 0.10000E+01 volume 0.11414E-02 ppm1 7.241 ppm2 7.891 CV 1 ASSI { 820} (( segid " A" and resid 111 and name HN )) (( segid " A" and resid 113 and name HN )) 6.000 4.500 0.000 peak 820 spectrum 1 weight 0.10000E+01 volume 0.85682E-03 ppm1 8.164 ppm2 7.387 CV 1 OR { 820} (( segid " A" and resid 111 and name HN )) (( segid " A" and resid 109 and name HN )) ASSI { 821} (( segid " A" and resid 111 and name HN )) (( segid " A" and resid 112 and name HN )) 6.000 4.500 0.000 peak 821 spectrum 1 weight 0.10000E+01 volume 0.16080E-02 ppm1 8.164 ppm2 7.208 CV 1 ASSI { 822} (( segid " A" and resid 250 and name HN )) (( segid " A" and resid 249 and name HA )) 6.000 4.500 0.000 peak 822 spectrum 1 weight 0.10000E+01 volume 0.18765E-02 ppm1 8.599 ppm2 5.344 CV 1 ASSI { 823} (( segid " A" and resid 183 and name HN )) (( segid " A" and resid 182 and name HA )) 6.000 4.500 0.000 peak 823 spectrum 1 weight 0.10000E+01 volume 0.42727E-02 ppm1 8.318 ppm2 4.820 CV 1 ASSI { 824} (( segid " A" and resid 222 and name HN )) (( segid " A" and resid 221 and name HA )) 6.000 4.500 0.000 peak 824 spectrum 1 weight 0.10000E+01 volume 0.59626E-02 ppm1 9.235 ppm2 4.748 CV 1 ASSI { 825} (( segid " A" and resid 250 and name HN )) (( segid " A" and resid 250 and name HA )) 6.000 4.500 0.000 peak 825 spectrum 1 weight 0.10000E+01 volume 0.13848E-02 ppm1 8.600 ppm2 4.398 CV 1 ASSI { 826} (( segid " A" and resid 222 and name HN )) (( segid " A" and resid 221 and name HB2 )) 6.000 4.500 0.000 peak 826 spectrum 1 weight 0.10000E+01 volume 0.24858E-02 ppm1 9.236 ppm2 4.187 CV 1 ASSI { 827} (( segid " A" and resid 111 and name HN )) (( segid " A" and resid 109 and name HA )) 6.000 4.500 0.000 peak 827 spectrum 1 weight 0.10000E+01 volume 0.49937E-03 ppm1 8.164 ppm2 4.092 CV 1 ASSI { 828} (( segid " A" and resid 228 and name HN )) (( segid " A" and resid 227 and name HB2 )) 6.000 4.500 0.000 peak 828 spectrum 1 weight 0.10000E+01 volume 0.11029E-02 ppm1 7.241 ppm2 4.023 CV 1 ASSI { 829} (( segid " A" and resid 222 and name HN )) (( segid " A" and resid 221 and name HB1 )) 6.000 4.500 0.000 peak 829 spectrum 1 weight 0.10000E+01 volume 0.18269E-02 ppm1 9.236 ppm2 3.931 CV 1 ASSI { 830} (( segid " A" and resid 111 and name HN )) (( segid " A" and resid 111 and name HA )) 6.000 4.500 0.000 peak 830 spectrum 1 weight 0.10000E+01 volume 0.23908E-02 ppm1 8.164 ppm2 3.887 CV 1 ASSI { 831} (( segid " A" and resid 228 and name HN )) (( segid " A" and resid 225 and name HA )) 6.000 4.500 0.000 peak 831 spectrum 1 weight 0.10000E+01 volume 0.66493E-03 ppm1 7.244 ppm2 3.799 CV 1 ASSI { 832} (( segid " A" and resid 222 and name HN )) (( segid " A" and resid 222 and name HA )) 6.000 4.500 0.000 peak 832 spectrum 1 weight 0.10000E+01 volume 0.19124E-02 ppm1 9.236 ppm2 3.680 CV 1 ASSI { 833} (( segid " A" and resid 111 and name HN )) (( segid " A" and resid 110 and name HA )) 6.000 4.500 0.000 peak 833 spectrum 1 weight 0.10000E+01 volume 0.64166E-03 ppm1 8.166 ppm2 3.646 CV 1 ASSI { 834} (( segid " A" and resid 228 and name HN )) (( segid " A" and resid 228 and name HA )) 6.000 4.500 0.000 peak 834 spectrum 1 weight 0.10000E+01 volume 0.11551E-02 ppm1 7.239 ppm2 3.559 CV 1 ASSI { 835} (( segid " A" and resid 250 and name HN )) (( segid " A" and resid 249 and name HB1 )) 6.000 4.500 0.000 peak 835 spectrum 1 weight 0.10000E+01 volume 0.13039E-02 ppm1 8.601 ppm2 3.254 CV 1 ASSI { 836} (( segid " A" and resid 222 and name HN )) (( segid " A" and resid 222 and name HB2 )) 6.000 4.500 0.000 peak 836 spectrum 1 weight 0.10000E+01 volume 0.22679E-02 ppm1 9.236 ppm2 2.566 CV 1 ASSI { 837} (( segid " A" and resid 250 and name HN )) (( segid " A" and resid 249 and name HB2 )) 6.000 4.500 0.000 peak 837 spectrum 1 weight 0.10000E+01 volume 0.10983E-02 ppm1 8.601 ppm2 2.542 CV 1 ASSI { 838} (( segid " A" and resid 111 and name HN )) (( segid " A" and resid 111 and name HG2 )) 6.000 4.500 0.000 peak 838 spectrum 1 weight 0.10000E+01 volume 0.17228E-02 ppm1 8.166 ppm2 2.562 CV 1 OR { 838} (( segid " A" and resid 111 and name HN )) (( segid " A" and resid 111 and name HG1 )) ASSI { 839} (( segid " A" and resid 183 and name HN )) (( segid " A" and resid 182 and name HB2 )) 6.000 4.500 0.000 peak 839 spectrum 1 weight 0.10000E+01 volume 0.13520E-02 ppm1 8.318 ppm2 2.486 CV 1 OR { 839} (( segid " A" and resid 183 and name HN )) (( segid " A" and resid 182 and name HB1 )) ASSI { 840} (( segid " A" and resid 250 and name HN )) (( segid " A" and resid 250 and name HB2 )) 6.000 4.500 0.000 peak 840 spectrum 1 weight 0.10000E+01 volume 0.12547E-02 ppm1 8.601 ppm2 2.427 CV 1 ASSI { 841} (( segid " A" and resid 111 and name HN )) (( segid " A" and resid 111 and name HB2 )) 6.000 4.500 0.000 peak 841 spectrum 1 weight 0.10000E+01 volume 0.38606E-02 ppm1 8.164 ppm2 2.283 CV 1 ASSI { 842} (( segid " A" and resid 183 and name HN )) (( segid " A" and resid 177 and name HG2 )) 6.000 4.500 0.000 peak 842 spectrum 1 weight 0.10000E+01 volume 0.41162E-03 ppm1 8.314 ppm2 2.262 CV 1 OR { 842} (( segid " A" and resid 183 and name HN )) (( segid " A" and resid 177 and name HG1 )) ASSI { 843} (( segid " A" and resid 228 and name HN )) (( segid " A" and resid 228 and name HB )) 6.000 4.500 0.000 peak 843 spectrum 1 weight 0.10000E+01 volume 0.31900E-02 ppm1 7.241 ppm2 2.044 CV 1 ASSI { 844} (( segid " A" and resid 111 and name HN )) (( segid " A" and resid 110 and name HB )) 6.000 4.500 0.000 peak 844 spectrum 1 weight 0.10000E+01 volume 0.25499E-02 ppm1 8.164 ppm2 1.849 CV 1 ASSI { 845} (( segid " A" and resid 250 and name HN )) (( segid " A" and resid 242 and name HB1 )) 6.000 4.500 0.000 peak 845 spectrum 1 weight 0.10000E+01 volume 0.57299E-03 ppm1 8.594 ppm2 1.580 CV 1 OR { 845} (( segid " A" and resid 250 and name HN )) (( segid " A" and resid 242 and name HG1 )) ASSI { 846} (( segid " A" and resid 250 and name HN )) (( segid " A" and resid 250 and name HG2 )) 6.000 4.500 0.000 peak 846 spectrum 1 weight 0.10000E+01 volume 0.17075E-02 ppm1 8.599 ppm2 1.443 CV 1 ASSI { 847} (( segid " A" and resid 250 and name HN )) (( segid " A" and resid 250 and name HG1 )) 6.000 4.500 0.000 peak 847 spectrum 1 weight 0.10000E+01 volume 0.31511E-02 ppm1 8.599 ppm2 1.327 CV 1 ASSI { 848} (( segid " A" and resid 222 and name HN )) (( segid " A" and resid 240 and name HG )) 6.000 4.500 0.000 peak 848 spectrum 1 weight 0.10000E+01 volume 0.56536E-03 ppm1 9.228 ppm2 1.109 CV 1 ASSI { 849} (( segid " A" and resid 271 and name HN )) ( segid " A" and resid 282 and name HG1%) 6.000 4.500 0.000 peak 849 spectrum 1 weight 0.10000E+01 volume 0.20104E-02 ppm1 7.802 ppm2 0.956 CV 1 OR { 849} (( segid " A" and resid 271 and name HN )) ( segid " A" and resid 282 and name HG2%) ASSI { 850} (( segid " A" and resid 228 and name HN )) ( segid " A" and resid 228 and name HG1%) 6.000 4.500 0.000 peak 850 spectrum 1 weight 0.10000E+01 volume 0.37664E-02 ppm1 7.241 ppm2 0.960 CV 1 ASSI { 851} (( segid " A" and resid 183 and name HN )) ( segid " A" and resid 183 and name HG2%) 6.000 4.500 0.000 peak 851 spectrum 1 weight 0.10000E+01 volume 0.28650E-02 ppm1 8.319 ppm2 0.907 CV 1 ASSI { 852} (( segid " A" and resid 111 and name HN )) ( segid " A" and resid 110 and name HG2%) 6.000 4.500 0.000 peak 852 spectrum 1 weight 0.10000E+01 volume 0.27784E-02 ppm1 8.163 ppm2 0.817 CV 1 ASSI { 853} (( segid " A" and resid 250 and name HN )) ( segid " A" and resid 241 and name HB% ) 6.000 4.500 0.000 peak 853 spectrum 1 weight 0.10000E+01 volume 0.11826E-02 ppm1 8.599 ppm2 0.756 CV 1 OR { 853} (( segid " A" and resid 250 and name HN )) (( segid " A" and resid 240 and name HB1 )) ASSI { 854} (( segid " A" and resid 228 and name HN )) ( segid " A" and resid 225 and name HG2%) 6.000 4.500 0.000 peak 854 spectrum 1 weight 0.10000E+01 volume 0.56536E-03 ppm1 7.238 ppm2 0.603 CV 1 OR { 854} (( segid " A" and resid 228 and name HN )) ( segid " A" and resid 225 and name HD1%) ASSI { 855} (( segid " A" and resid 228 and name HN )) ( segid " A" and resid 228 and name HG2%) 6.000 4.500 0.000 peak 855 spectrum 1 weight 0.10000E+01 volume 0.12791E-02 ppm1 7.238 ppm2 0.456 CV 1 ASSI { 856} (( segid " A" and resid 222 and name HN )) ( segid " A" and resid 240 and name HD2%) 6.000 4.500 0.000 peak 856 spectrum 1 weight 0.10000E+01 volume 0.42307E-03 ppm1 9.239 ppm2 0.056 CV 1 ASSI { 857} (( segid " A" and resid 222 and name HN )) ( segid " A" and resid 240 and name HD1%) 6.000 4.500 0.000 peak 857 spectrum 1 weight 0.10000E+01 volume 0.20165E-02 ppm1 9.234 ppm2 -0.110 CV 1 ASSI { 858} (( segid " A" and resid 183 and name HN )) (( segid " A" and resid 181 and name HN )) 6.000 4.500 0.000 peak 858 spectrum 1 weight 0.10000E+01 volume 0.39369E-03 ppm1 8.321 ppm2 7.370 CV 1 ASSI { 859} (( segid " A" and resid 183 and name HN )) (( segid " A" and resid 183 and name HB )) 6.000 4.500 0.000 peak 859 spectrum 1 weight 0.10000E+01 volume 0.11445E-02 ppm1 8.319 ppm2 1.996 CV 1 ASSI { 860} (( segid " A" and resid 250 and name HN )) (( segid " A" and resid 250 and name HD1 )) 6.000 4.500 0.000 peak 860 spectrum 1 weight 0.10000E+01 volume 0.51615E-03 ppm1 8.591 ppm2 1.737 CV 1 ASSI { 861} (( segid " A" and resid 183 and name HN )) (( segid " A" and resid 183 and name HG12)) 6.000 4.500 0.000 peak 861 spectrum 1 weight 0.10000E+01 volume 0.37229E-02 ppm1 8.318 ppm2 1.486 CV 1 ASSI { 864} (( segid " A" and resid 108 and name HN )) (( segid " A" and resid 108 and name HA )) 6.000 4.500 0.000 peak 864 spectrum 1 weight 0.10000E+01 volume 0.34715E-02 ppm1 8.116 ppm2 3.954 CV 1 ASSI { 865} (( segid " A" and resid 108 and name HN )) (( segid " A" and resid 108 and name HB1 )) 6.000 4.500 0.000 peak 865 spectrum 1 weight 0.10000E+01 volume 0.39598E-02 ppm1 8.117 ppm2 1.775 CV 1 ASSI { 866} (( segid " A" and resid 108 and name HN )) (( segid " A" and resid 108 and name HG )) 6.000 4.500 0.000 peak 866 spectrum 1 weight 0.10000E+01 volume 0.42917E-02 ppm1 8.117 ppm2 1.702 CV 1 ASSI { 867} (( segid " A" and resid 108 and name HN )) (( segid " A" and resid 108 and name HB2 )) 6.000 4.500 0.000 peak 867 spectrum 1 weight 0.10000E+01 volume 0.64395E-02 ppm1 8.117 ppm2 1.444 CV 1 ASSI { 868} (( segid " A" and resid 108 and name HN )) ( segid " A" and resid 108 and name HD1%) 6.000 4.500 0.000 peak 868 spectrum 1 weight 0.10000E+01 volume 0.40323E-02 ppm1 8.117 ppm2 0.820 CV 1 ASSI { 869} (( segid " A" and resid 278 and name HN )) (( segid " A" and resid 276 and name HN )) 6.000 4.500 0.000 peak 869 spectrum 1 weight 0.10000E+01 volume 0.39789E-03 ppm1 7.090 ppm2 9.019 CV 1 ASSI { 870} (( segid " A" and resid 278 and name HN )) (( segid " A" and resid 277 and name HN )) 6.000 4.500 0.000 peak 870 spectrum 1 weight 0.10000E+01 volume 0.45740E-02 ppm1 7.087 ppm2 8.446 CV 1 ASSI { 872} (( segid " A" and resid 127 and name HN )) (( segid " A" and resid 128 and name HN )) 6.000 4.500 0.000 peak 872 spectrum 1 weight 0.10000E+01 volume 0.58749E-03 ppm1 7.604 ppm2 7.412 CV 1 ASSI { 873} (( segid " A" and resid 278 and name HN )) (( segid " A" and resid 275 and name HA )) 6.000 4.500 0.000 peak 873 spectrum 1 weight 0.10000E+01 volume 0.11735E-02 ppm1 7.086 ppm2 4.760 CV 1 OR { 873} (( segid " A" and resid 278 and name HN )) (( segid " A" and resid 279 and name HA )) ASSI { 874} (( segid " A" and resid 278 and name HN )) (( segid " A" and resid 278 and name HA )) 6.000 4.500 0.000 peak 874 spectrum 1 weight 0.10000E+01 volume 0.42803E-02 ppm1 7.087 ppm2 4.313 CV 1 ASSI { 875} (( segid " A" and resid 127 and name HN )) (( segid " A" and resid 127 and name HB )) 6.000 4.500 0.000 peak 875 spectrum 1 weight 0.10000E+01 volume 0.71720E-03 ppm1 7.607 ppm2 4.145 CV 1 ASSI { 876} (( segid " A" and resid 278 and name HN )) (( segid " A" and resid 277 and name HA1 )) 6.000 4.500 0.000 peak 876 spectrum 1 weight 0.10000E+01 volume 0.17270E-02 ppm1 7.088 ppm2 4.041 CV 1 ASSI { 877} (( segid " A" and resid 127 and name HN )) (( segid " A" and resid 127 and name HA )) 6.000 4.500 0.000 peak 877 spectrum 1 weight 0.10000E+01 volume 0.64891E-03 ppm1 7.608 ppm2 3.971 CV 1 ASSI { 878} (( segid " A" and resid 278 and name HN )) (( segid " A" and resid 277 and name HA2 )) 6.000 4.500 0.000 peak 878 spectrum 1 weight 0.10000E+01 volume 0.21852E-02 ppm1 7.086 ppm2 3.548 CV 1 ASSI { 879} (( segid " A" and resid 278 and name HN )) (( segid " A" and resid 278 and name HG1 )) 6.000 4.500 0.000 peak 879 spectrum 1 weight 0.10000E+01 volume 0.16492E-02 ppm1 7.086 ppm2 2.231 CV 1 ASSI { 880} (( segid " A" and resid 278 and name HN )) (( segid " A" and resid 278 and name HB2 )) 6.000 4.500 0.000 peak 880 spectrum 1 weight 0.10000E+01 volume 0.22252E-02 ppm1 7.088 ppm2 2.102 CV 1 ASSI { 881} (( segid " A" and resid 278 and name HN )) (( segid " A" and resid 278 and name HB1 )) 6.000 4.500 0.000 peak 881 spectrum 1 weight 0.10000E+01 volume 0.26960E-02 ppm1 7.087 ppm2 1.922 CV 1 ASSI { 882} (( segid " A" and resid 127 and name HN )) ( segid " A" and resid 127 and name HG2%) 6.000 4.500 0.000 peak 882 spectrum 1 weight 0.10000E+01 volume 0.64242E-03 ppm1 7.604 ppm2 1.293 CV 1 ASSI { 885} (( segid " A" and resid 114 and name HN )) (( segid " A" and resid 113 and name HA )) 6.000 4.500 0.000 peak 885 spectrum 1 weight 0.10000E+01 volume 0.47381E-02 ppm1 9.060 ppm2 5.334 CV 1 ASSI { 886} (( segid " A" and resid 114 and name HN )) (( segid " A" and resid 159 and name HA )) 6.000 4.500 0.000 peak 886 spectrum 1 weight 0.10000E+01 volume 0.12364E-02 ppm1 9.061 ppm2 4.984 CV 1 ASSI { 887} (( segid " A" and resid 114 and name HN )) (( segid " A" and resid 114 and name HA )) 6.000 4.500 0.000 peak 887 spectrum 1 weight 0.10000E+01 volume 0.90336E-03 ppm1 9.061 ppm2 4.710 CV 1 ASSI { 888} (( segid " A" and resid 114 and name HN )) (( segid " A" and resid 114 and name HB )) 6.000 4.500 0.000 peak 888 spectrum 1 weight 0.10000E+01 volume 0.16362E-02 ppm1 9.059 ppm2 2.057 CV 1 ASSI { 889} (( segid " A" and resid 114 and name HN )) (( segid " A" and resid 113 and name HB2 )) 6.000 4.500 0.000 peak 889 spectrum 1 weight 0.10000E+01 volume 0.19368E-02 ppm1 9.061 ppm2 1.716 CV 1 ASSI { 891} (( segid " A" and resid 114 and name HN )) ( segid " A" and resid 114 and name HG1%) 6.000 4.500 0.000 peak 891 spectrum 1 weight 0.10000E+01 volume 0.34326E-02 ppm1 9.061 ppm2 0.871 CV 1 ASSI { 895} (( segid " A" and resid 170 and name HN )) (( segid " A" and resid 171 and name HN )) 6.000 4.500 0.000 peak 895 spectrum 1 weight 0.10000E+01 volume 0.22222E-02 ppm1 7.981 ppm2 7.571 CV 1 ASSI { 896} (( segid " A" and resid 170 and name HN )) (( segid " A" and resid 168 and name HN )) 6.000 4.500 0.000 peak 896 spectrum 1 weight 0.10000E+01 volume 0.64090E-03 ppm1 7.982 ppm2 7.425 CV 1 ASSI { 897} (( segid " A" and resid 166 and name HN )) (( segid " A" and resid 167 and name HN )) 6.000 4.500 0.000 peak 897 spectrum 1 weight 0.10000E+01 volume 0.16251E-02 ppm1 5.890 ppm2 7.388 CV 1 ASSI { 899} (( segid " A" and resid 225 and name HN )) (( segid " A" and resid 224 and name HA )) 6.000 4.500 0.000 peak 899 spectrum 1 weight 0.10000E+01 volume 0.90145E-03 ppm1 7.301 ppm2 4.336 CV 1 ASSI { 900} (( segid " A" and resid 166 and name HN )) (( segid " A" and resid 163 and name HA )) 6.000 4.500 0.000 peak 900 spectrum 1 weight 0.10000E+01 volume 0.91214E-03 ppm1 5.891 ppm2 4.117 CV 1 ASSI { 901} (( segid " A" and resid 170 and name HN )) (( segid " A" and resid 168 and name HA )) 6.000 4.500 0.000 peak 901 spectrum 1 weight 0.10000E+01 volume 0.57528E-03 ppm1 7.982 ppm2 4.001 CV 1 ASSI { 902} (( segid " A" and resid 225 and name HN )) (( segid " A" and resid 225 and name HA )) 6.000 4.500 0.000 peak 902 spectrum 1 weight 0.10000E+01 volume 0.10800E-02 ppm1 7.301 ppm2 3.805 CV 1 ASSI { 903} (( segid " A" and resid 170 and name HN )) (( segid " A" and resid 170 and name HA )) 6.000 4.500 0.000 peak 903 spectrum 1 weight 0.10000E+01 volume 0.33720E-02 ppm1 7.981 ppm2 3.707 CV 1 ASSI { 904} (( segid " A" and resid 225 and name HN )) (( segid " A" and resid 222 and name HA )) 6.000 4.500 0.000 peak 904 spectrum 1 weight 0.10000E+01 volume 0.43718E-03 ppm1 7.302 ppm2 3.668 CV 1 ASSI { 905} (( segid " A" and resid 166 and name HN )) (( segid " A" and resid 166 and name HA )) 6.000 4.500 0.000 peak 905 spectrum 1 weight 0.10000E+01 volume 0.18830E-02 ppm1 5.891 ppm2 3.610 CV 1 ASSI { 906} (( segid " A" and resid 225 and name HN )) (( segid " A" and resid 224 and name HB1 )) 6.000 4.500 0.000 peak 906 spectrum 1 weight 0.10000E+01 volume 0.94265E-03 ppm1 7.299 ppm2 2.984 CV 1 ASSI { 907} (( segid " A" and resid 225 and name HN )) (( segid " A" and resid 224 and name HB2 )) 6.000 4.500 0.000 peak 907 spectrum 1 weight 0.10000E+01 volume 0.10586E-02 ppm1 7.307 ppm2 2.493 CV 1 ASSI { 908} (( segid " A" and resid 170 and name HN )) (( segid " A" and resid 169 and name HA )) 6.000 4.500 0.000 peak 908 spectrum 1 weight 0.10000E+01 volume 0.10907E-02 ppm1 7.981 ppm2 2.356 CV 1 ASSI { 909} (( segid " A" and resid 170 and name HN )) (( segid " A" and resid 171 and name HB1 )) 6.000 4.500 0.000 peak 909 spectrum 1 weight 0.10000E+01 volume 0.45168E-03 ppm1 7.983 ppm2 2.144 CV 1 OR { 909} (( segid " A" and resid 170 and name HN )) (( segid " A" and resid 167 and name HG1 )) ASSI { 910} (( segid " A" and resid 170 and name HN )) (( segid " A" and resid 171 and name HB2 )) 6.000 4.500 0.000 peak 910 spectrum 1 weight 0.10000E+01 volume 0.41773E-03 ppm1 7.981 ppm2 2.011 CV 1 ASSI { 911} (( segid " A" and resid 225 and name HN )) (( segid " A" and resid 226 and name HB1 )) 6.000 4.500 0.000 peak 911 spectrum 1 weight 0.10000E+01 volume 0.51539E-03 ppm1 7.304 ppm2 1.933 CV 1 OR { 911} (( segid " A" and resid 225 and name HN )) (( segid " A" and resid 226 and name HB2 )) ASSI { 912} (( segid " A" and resid 166 and name HN )) (( segid " A" and resid 168 and name HG )) 6.000 4.500 0.000 peak 912 spectrum 1 weight 0.10000E+01 volume 0.40132E-03 ppm1 5.891 ppm2 1.882 CV 1 OR { 912} (( segid " A" and resid 166 and name HN )) (( segid " A" and resid 163 and name HG2 )) ASSI { 913} (( segid " A" and resid 225 and name HN )) (( segid " A" and resid 225 and name HB )) 6.000 4.500 0.000 peak 913 spectrum 1 weight 0.10000E+01 volume 0.24949E-02 ppm1 7.303 ppm2 1.810 CV 1 ASSI { 914} (( segid " A" and resid 170 and name HN )) (( segid " A" and resid 170 and name HB2 )) 6.000 4.500 0.000 peak 914 spectrum 1 weight 0.10000E+01 volume 0.47495E-02 ppm1 7.982 ppm2 1.763 CV 1 ASSI { 915} (( segid " A" and resid 170 and name HN )) (( segid " A" and resid 170 and name HB1 )) 6.000 4.500 0.000 peak 915 spectrum 1 weight 0.10000E+01 volume 0.34715E-02 ppm1 7.981 ppm2 1.550 CV 1 ASSI { 916} (( segid " A" and resid 225 and name HN )) (( segid " A" and resid 225 and name HG12)) 6.000 4.500 0.000 peak 916 spectrum 1 weight 0.10000E+01 volume 0.16923E-02 ppm1 7.302 ppm2 1.496 CV 1 ASSI { 917} (( segid " A" and resid 166 and name HN )) ( segid " A" and resid 166 and name HB% ) 6.000 4.500 0.000 peak 917 spectrum 1 weight 0.10000E+01 volume 0.42917E-02 ppm1 5.890 ppm2 1.436 CV 1 ASSI { 918} (( segid " A" and resid 170 and name HN )) ( segid " A" and resid 169 and name HB% ) 6.000 4.500 0.000 peak 918 spectrum 1 weight 0.10000E+01 volume 0.34979E-02 ppm1 7.981 ppm2 1.320 CV 1 ASSI { 919} (( segid " A" and resid 225 and name HN )) (( segid " A" and resid 225 and name HG11)) 6.000 4.500 0.000 peak 919 spectrum 1 weight 0.10000E+01 volume 0.13024E-02 ppm1 7.301 ppm2 1.003 CV 1 ASSI { 920} (( segid " A" and resid 170 and name HN )) ( segid " A" and resid 114 and name HG2%) 6.000 4.500 0.000 peak 920 spectrum 1 weight 0.10000E+01 volume 0.19399E-02 ppm1 7.981 ppm2 0.905 CV 1 ASSI { 921} (( segid " A" and resid 170 and name HN )) ( segid " A" and resid 170 and name HD1%) 6.000 4.500 0.000 peak 921 spectrum 1 weight 0.10000E+01 volume 0.23538E-02 ppm1 7.982 ppm2 0.769 CV 1 ASSI { 922} (( segid " A" and resid 166 and name HN )) ( segid " A" and resid 162 and name HG2%) 6.000 4.500 0.000 peak 922 spectrum 1 weight 0.10000E+01 volume 0.77900E-03 ppm1 5.894 ppm2 0.754 CV 1 OR { 922} (( segid " A" and resid 166 and name HN )) (( segid " A" and resid 164 and name HB1 )) ASSI { 923} (( segid " A" and resid 168 and name HN )) ( segid " A" and resid 165 and name HB% ) 6.000 4.500 0.000 peak 923 spectrum 1 weight 0.10000E+01 volume 0.54286E-03 ppm1 7.439 ppm2 0.638 CV 1 ASSI { 924} (( segid " A" and resid 225 and name HN )) ( segid " A" and resid 225 and name HG2%) 6.000 4.500 0.000 peak 924 spectrum 1 weight 0.10000E+01 volume 0.21424E-02 ppm1 7.304 ppm2 0.605 CV 1 ASSI { 925} (( segid " A" and resid 166 and name HN )) ( segid " A" and resid 165 and name HB% ) 6.000 4.500 0.000 peak 925 spectrum 1 weight 0.10000E+01 volume 0.22679E-02 ppm1 5.889 ppm2 0.626 CV 1 ASSI { 930} (( segid " A" and resid 267 and name HN )) (( segid " A" and resid 269 and name HN )) 6.000 4.500 0.000 peak 930 spectrum 1 weight 0.10000E+01 volume 0.64319E-03 ppm1 7.676 ppm2 7.347 CV 1 OR { 930} (( segid " A" and resid 267 and name HN )) (( segid " A" and resid 264 and name HN )) ASSI { 931} (( segid " A" and resid 166 and name HN )) ( segid " A" and resid 160 and name HD% ) 6.000 4.500 0.000 peak 931 spectrum 1 weight 0.10000E+01 volume 0.65425E-03 ppm1 5.888 ppm2 6.778 CV 1 ASSI { 932} (( segid " A" and resid 197 and name HN )) (( segid " A" and resid 196 and name HA )) 6.000 4.500 0.000 peak 932 spectrum 1 weight 0.10000E+01 volume 0.11185E-02 ppm1 7.124 ppm2 4.434 CV 1 ASSI { 933} (( segid " A" and resid 267 and name HN )) (( segid " A" and resid 265 and name HA )) 6.000 4.500 0.000 peak 933 spectrum 1 weight 0.10000E+01 volume 0.55621E-03 ppm1 7.680 ppm2 4.196 CV 1 ASSI { 934} (( segid " A" and resid 197 and name HN )) (( segid " A" and resid 197 and name HA )) 6.000 4.500 0.000 peak 934 spectrum 1 weight 0.10000E+01 volume 0.27566E-02 ppm1 7.125 ppm2 3.851 CV 1 ASSI { 935} (( segid " A" and resid 197 and name HN )) (( segid " A" and resid 196 and name HD2 )) 6.000 4.500 0.000 peak 935 spectrum 1 weight 0.10000E+01 volume 0.52683E-03 ppm1 7.122 ppm2 3.663 CV 1 ASSI { 936} (( segid " A" and resid 168 and name HN )) (( segid " A" and resid 167 and name HA )) 6.000 4.500 0.000 peak 936 spectrum 1 weight 0.10000E+01 volume 0.11582E-02 ppm1 7.441 ppm2 3.662 CV 1 ASSI { 937} (( segid " A" and resid 197 and name HN )) (( segid " A" and resid 196 and name HD1 )) 6.000 4.500 0.000 peak 937 spectrum 1 weight 0.10000E+01 volume 0.15427E-02 ppm1 7.125 ppm2 3.495 CV 1 ASSI { 938} (( segid " A" and resid 197 and name HN )) (( segid " A" and resid 196 and name HB2 )) 6.000 4.500 0.000 peak 938 spectrum 1 weight 0.10000E+01 volume 0.98195E-03 ppm1 7.124 ppm2 2.355 CV 1 ASSI { 939} (( segid " A" and resid 168 and name HN )) (( segid " A" and resid 167 and name HG2 )) 6.000 4.500 0.000 peak 939 spectrum 1 weight 0.10000E+01 volume 0.99416E-03 ppm1 7.441 ppm2 2.316 CV 1 ASSI { 940} (( segid " A" and resid 197 and name HN )) (( segid " A" and resid 200 and name HB2 )) 6.000 4.500 0.000 peak 940 spectrum 1 weight 0.10000E+01 volume 0.46694E-03 ppm1 7.127 ppm2 2.166 CV 1 ASSI { 941} (( segid " A" and resid 197 and name HN )) (( segid " A" and resid 197 and name HB )) 6.000 4.500 0.000 peak 941 spectrum 1 weight 0.10000E+01 volume 0.59893E-02 ppm1 7.125 ppm2 1.968 CV 1 ASSI { 942} (( segid " A" and resid 197 and name HN )) (( segid " A" and resid 196 and name HB1 )) 6.000 4.500 0.000 peak 942 spectrum 1 weight 0.10000E+01 volume 0.12963E-02 ppm1 7.125 ppm2 1.736 CV 1 ASSI { 944} (( segid " A" and resid 168 and name HN )) (( segid " A" and resid 168 and name HB1 )) 6.000 4.500 0.000 peak 944 spectrum 1 weight 0.10000E+01 volume 0.22771E-02 ppm1 7.441 ppm2 1.505 CV 1 ASSI { 945} (( segid " A" and resid 197 and name HN )) (( segid " A" and resid 197 and name HG12)) 6.000 4.500 0.000 peak 945 spectrum 1 weight 0.10000E+01 volume 0.37706E-02 ppm1 7.125 ppm2 1.440 CV 1 ASSI { 946} (( segid " A" and resid 168 and name HN )) ( segid " A" and resid 169 and name HB% ) 6.000 4.500 0.000 peak 946 spectrum 1 weight 0.10000E+01 volume 0.87094E-03 ppm1 7.438 ppm2 1.316 CV 1 ASSI { 947} (( segid " A" and resid 197 and name HN )) (( segid " A" and resid 197 and name HG11)) 6.000 4.500 0.000 peak 947 spectrum 1 weight 0.10000E+01 volume 0.23660E-02 ppm1 7.125 ppm2 1.293 CV 1 ASSI { 948} (( segid " A" and resid 168 and name HN )) ( segid " A" and resid 168 and name HD2%) 6.000 4.500 0.000 peak 948 spectrum 1 weight 0.10000E+01 volume 0.14886E-02 ppm1 7.440 ppm2 0.990 CV 1 ASSI { 949} (( segid " A" and resid 168 and name HN )) ( segid " A" and resid 168 and name HD1%) 6.000 4.500 0.000 peak 949 spectrum 1 weight 0.10000E+01 volume 0.15927E-02 ppm1 7.440 ppm2 0.873 CV 1 ASSI { 950} (( segid " A" and resid 225 and name HN )) ( segid " A" and resid 220 and name HD2%) 6.000 4.500 0.000 peak 950 spectrum 1 weight 0.10000E+01 volume 0.50242E-03 ppm1 7.306 ppm2 0.887 CV 1 ASSI { 951} (( segid " A" and resid 166 and name HN )) ( segid " A" and resid 114 and name HG2%) 6.000 4.500 0.000 peak 951 spectrum 1 weight 0.10000E+01 volume 0.56002E-03 ppm1 5.890 ppm2 0.879 CV 1 OR { 951} (( segid " A" and resid 166 and name HN )) ( segid " A" and resid 168 and name HD1%) ASSI { 952} (( segid " A" and resid 197 and name HN )) ( segid " A" and resid 197 and name HG2%) 6.000 4.500 0.000 peak 952 spectrum 1 weight 0.10000E+01 volume 0.24732E-02 ppm1 7.125 ppm2 0.839 CV 1 ASSI { 953} (( segid " A" and resid 168 and name HN )) (( segid " A" and resid 164 and name HB2 )) 6.000 4.500 0.000 peak 953 spectrum 1 weight 0.10000E+01 volume 0.70728E-03 ppm1 7.438 ppm2 0.769 CV 1 OR { 953} (( segid " A" and resid 168 and name HN )) ( segid " A" and resid 286 and name HG1%) OR { 953} (( segid " A" and resid 168 and name HN )) (( segid " A" and resid 164 and name HB1 )) OR { 953} (( segid " A" and resid 168 and name HN )) ( segid " A" and resid 170 and name HD2%) ASSI { 955} (( segid " A" and resid 267 and name HN )) (( segid " A" and resid 265 and name HN )) 6.000 4.500 0.000 peak 955 spectrum 1 weight 0.10000E+01 volume 0.48716E-03 ppm1 7.687 ppm2 8.313 CV 1 ASSI { 958} (( segid " A" and resid 197 and name HN )) (( segid " A" and resid 200 and name HN )) 6.000 4.500 0.000 peak 958 spectrum 1 weight 0.10000E+01 volume 0.40628E-03 ppm1 7.127 ppm2 7.646 CV 1 OR { 958} (( segid " A" and resid 197 and name HN )) (( segid " A" and resid 194 and name HN )) ASSI { 959} (( segid " A" and resid 234 and name HN )) (( segid " A" and resid 233 and name HN )) 6.000 4.500 0.000 peak 959 spectrum 1 weight 0.10000E+01 volume 0.58749E-03 ppm1 8.016 ppm2 7.588 CV 1 ASSI { 961} (( segid " A" and resid 234 and name HN )) (( segid " A" and resid 234 and name HA )) 6.000 4.500 0.000 peak 961 spectrum 1 weight 0.10000E+01 volume 0.12822E-02 ppm1 8.019 ppm2 4.237 CV 1 ASSI { 962} (( segid " A" and resid 206 and name HN )) (( segid " A" and resid 206 and name HA )) 6.000 4.500 0.000 peak 962 spectrum 1 weight 0.10000E+01 volume 0.52454E-02 ppm1 7.448 ppm2 4.170 CV 1 ASSI { 963} (( segid " A" and resid 168 and name HN )) (( segid " A" and resid 168 and name HA )) 6.000 4.500 0.000 peak 963 spectrum 1 weight 0.10000E+01 volume 0.33243E-02 ppm1 7.444 ppm2 4.023 CV 1 OR { 963} (( segid " A" and resid 206 and name HN )) (( segid " A" and resid 203 and name HA )) ASSI { 964} (( segid " A" and resid 267 and name HN )) (( segid " A" and resid 264 and name HA )) 6.000 4.500 0.000 peak 964 spectrum 1 weight 0.10000E+01 volume 0.16686E-02 ppm1 7.681 ppm2 3.910 CV 1 ASSI { 965} (( segid " A" and resid 234 and name HN )) (( segid " A" and resid 233 and name HA2 )) 6.000 4.500 0.000 peak 965 spectrum 1 weight 0.10000E+01 volume 0.22988E-02 ppm1 8.020 ppm2 3.867 CV 1 ASSI { 966} (( segid " A" and resid 206 and name HN )) (( segid " A" and resid 205 and name HA )) 6.000 4.500 0.000 peak 966 spectrum 1 weight 0.10000E+01 volume 0.11460E-02 ppm1 7.447 ppm2 3.856 CV 1 ASSI { 967} (( segid " A" and resid 267 and name HN )) (( segid " A" and resid 267 and name HA )) 6.000 4.500 0.000 peak 967 spectrum 1 weight 0.10000E+01 volume 0.29821E-02 ppm1 7.681 ppm2 3.447 CV 1 ASSI { 968} (( segid " A" and resid 168 and name HN )) (( segid " A" and resid 164 and name HA )) 6.000 4.500 0.000 peak 968 spectrum 1 weight 0.10000E+01 volume 0.14043E-02 ppm1 7.447 ppm2 3.250 CV 1 OR { 968} (( segid " A" and resid 206 and name HN )) (( segid " A" and resid 206 and name HD1 )) OR { 968} (( segid " A" and resid 206 and name HN )) (( segid " A" and resid 206 and name HD2 )) ASSI { 969} (( segid " A" and resid 267 and name HN )) (( segid " A" and resid 266 and name HA )) 6.000 4.500 0.000 peak 969 spectrum 1 weight 0.10000E+01 volume 0.10922E-02 ppm1 7.681 ppm2 2.367 CV 1 ASSI { 970} (( segid " A" and resid 234 and name HN )) (( segid " A" and resid 258 and name HG1 )) 6.000 4.500 0.000 peak 970 spectrum 1 weight 0.10000E+01 volume 0.67371E-03 ppm1 8.020 ppm2 2.182 CV 1 ASSI { 971} (( segid " A" and resid 168 and name HN )) (( segid " A" and resid 167 and name HG1 )) 6.000 4.500 0.000 peak 971 spectrum 1 weight 0.10000E+01 volume 0.15256E-02 ppm1 7.445 ppm2 2.129 CV 1 OR { 971} (( segid " A" and resid 206 and name HN )) (( segid " A" and resid 203 and name HB2 )) OR { 971} (( segid " A" and resid 206 and name HN )) (( segid " A" and resid 204 and name HB2 )) ASSI { 972} (( segid " A" and resid 267 and name HN )) (( segid " A" and resid 267 and name HB )) 6.000 4.500 0.000 peak 972 spectrum 1 weight 0.10000E+01 volume 0.59741E-02 ppm1 7.681 ppm2 2.038 CV 1 ASSI { 973} (( segid " A" and resid 206 and name HN )) (( segid " A" and resid 206 and name HB2 )) 6.000 4.500 0.000 peak 973 spectrum 1 weight 0.10000E+01 volume 0.15252E-01 ppm1 7.447 ppm2 1.966 CV 1 ASSI { 974} (( segid " A" and resid 234 and name HN )) (( segid " A" and resid 234 and name HB2 )) 6.000 4.500 0.000 peak 974 spectrum 1 weight 0.10000E+01 volume 0.50204E-02 ppm1 8.019 ppm2 1.750 CV 1 OR { 974} (( segid " A" and resid 234 and name HN )) (( segid " A" and resid 234 and name HB1 )) ASSI { 975} (( segid " A" and resid 206 and name HN )) (( segid " A" and resid 206 and name HG2 )) 6.000 4.500 0.000 peak 975 spectrum 1 weight 0.10000E+01 volume 0.30557E-02 ppm1 7.447 ppm2 1.734 CV 1 ASSI { 976} (( segid " A" and resid 234 and name HN )) (( segid " A" and resid 234 and name HG2 )) 6.000 4.500 0.000 peak 976 spectrum 1 weight 0.10000E+01 volume 0.10109E-02 ppm1 8.018 ppm2 1.458 CV 1 ASSI { 977} (( segid " A" and resid 234 and name HN )) (( segid " A" and resid 234 and name HG1 )) 6.000 4.500 0.000 peak 977 spectrum 1 weight 0.10000E+01 volume 0.81791E-03 ppm1 8.018 ppm2 1.361 CV 1 ASSI { 978} (( segid " A" and resid 267 and name HN )) ( segid " A" and resid 266 and name HB% ) 6.000 4.500 0.000 peak 978 spectrum 1 weight 0.10000E+01 volume 0.37317E-02 ppm1 7.681 ppm2 1.223 CV 1 ASSI { 979} (( segid " A" and resid 206 and name HN )) ( segid " A" and resid 205 and name HB% ) 6.000 4.500 0.000 peak 979 spectrum 1 weight 0.10000E+01 volume 0.48373E-02 ppm1 7.448 ppm2 1.121 CV 1 ASSI { 980} (( segid " A" and resid 267 and name HN )) ( segid " A" and resid 267 and name HG1%) 6.000 4.500 0.000 peak 980 spectrum 1 weight 0.10000E+01 volume 0.93541E-02 ppm1 7.681 ppm2 0.956 CV 1 ASSI { 981} (( segid " A" and resid 267 and name HN )) ( segid " A" and resid 211 and name HD1%) 6.000 4.500 0.000 peak 981 spectrum 1 weight 0.10000E+01 volume 0.63479E-03 ppm1 7.681 ppm2 0.719 CV 1 ASSI { 984} (( segid " A" and resid 171 and name HN )) (( segid " A" and resid 172 and name HN )) 6.000 4.500 0.000 peak 984 spectrum 1 weight 0.10000E+01 volume 0.18941E-02 ppm1 7.570 ppm2 8.149 CV 1 ASSI { 985} (( segid " A" and resid 174 and name HN )) (( segid " A" and resid 173 and name HN )) 6.000 4.500 0.000 peak 985 spectrum 1 weight 0.10000E+01 volume 0.11490E-02 ppm1 7.158 ppm2 8.071 CV 1 ASSI { 987} (( segid " A" and resid 223 and name HN )) (( segid " A" and resid 224 and name HN )) 6.000 4.500 0.000 peak 987 spectrum 1 weight 0.10000E+01 volume 0.43642E-03 ppm1 8.238 ppm2 7.614 CV 1 ASSI { 988} (( segid " A" and resid 259 and name HN )) ( segid " A" and resid 257 and name HD% ) 6.000 4.500 0.000 peak 988 spectrum 1 weight 0.10000E+01 volume 0.88085E-03 ppm1 8.775 ppm2 6.921 CV 1 ASSI { 989} (( segid " A" and resid 174 and name HN )) (( segid " A" and resid 173 and name HA )) 6.000 4.500 0.000 peak 989 spectrum 1 weight 0.10000E+01 volume 0.95753E-03 ppm1 7.161 ppm2 5.007 CV 1 ASSI { 991} (( segid " A" and resid 174 and name HN )) (( segid " A" and resid 174 and name HA )) 6.000 4.500 0.000 peak 991 spectrum 1 weight 0.10000E+01 volume 0.12578E-02 ppm1 7.160 ppm2 4.436 CV 1 ASSI { 992} (( segid " A" and resid 221 and name HN )) (( segid " A" and resid 224 and name HA )) 6.000 4.500 0.000 peak 992 spectrum 1 weight 0.10000E+01 volume 0.43375E-03 ppm1 9.327 ppm2 4.337 CV 1 ASSI { 993} (( segid " A" and resid 259 and name HN )) (( segid " A" and resid 258 and name HA )) 6.000 4.500 0.000 peak 993 spectrum 1 weight 0.10000E+01 volume 0.10663E-02 ppm1 8.774 ppm2 4.051 CV 1 ASSI { 994} (( segid " A" and resid 171 and name HN )) (( segid " A" and resid 171 and name HA )) 6.000 4.500 0.000 peak 994 spectrum 1 weight 0.10000E+01 volume 0.35585E-02 ppm1 7.571 ppm2 4.006 CV 1 ASSI { 995} (( segid " A" and resid 171 and name HN )) (( segid " A" and resid 170 and name HA )) 6.000 4.500 0.000 peak 995 spectrum 1 weight 0.10000E+01 volume 0.12715E-02 ppm1 7.571 ppm2 3.711 CV 1 ASSI { 996} (( segid " A" and resid 259 and name HN )) (( segid " A" and resid 257 and name HB2 )) 6.000 4.500 0.000 peak 996 spectrum 1 weight 0.10000E+01 volume 0.14996E-02 ppm1 8.773 ppm2 3.531 CV 1 ASSI { 997} (( segid " A" and resid 174 and name HN )) (( segid " A" and resid 174 and name HB2 )) 6.000 4.500 0.000 peak 997 spectrum 1 weight 0.10000E+01 volume 0.17163E-02 ppm1 7.158 ppm2 2.939 CV 1 ASSI { 998} (( segid " A" and resid 174 and name HN )) (( segid " A" and resid 174 and name HB1 )) 6.000 4.500 0.000 peak 998 spectrum 1 weight 0.10000E+01 volume 0.16469E-02 ppm1 7.159 ppm2 2.862 CV 1 ASSI { 999} (( segid " A" and resid 259 and name HN )) (( segid " A" and resid 257 and name HB1 )) 6.000 4.500 0.000 peak 999 spectrum 1 weight 0.10000E+01 volume 0.93388E-03 ppm1 8.773 ppm2 2.720 CV 1 ASSI { 1000} (( segid " A" and resid 171 and name HN )) (( segid " A" and resid 171 and name HG2 )) 6.000 4.500 0.000 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.25010E-02 ppm1 7.569 ppm2 2.627 CV 1 ASSI { 1001} (( segid " A" and resid 171 and name HN )) (( segid " A" and resid 169 and name HA )) 6.000 4.500 0.000 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.77442E-03 ppm1 7.570 ppm2 2.367 CV 1 ASSI { 1002} (( segid " A" and resid 259 and name HN )) (( segid " A" and resid 258 and name HB1 )) 6.000 4.500 0.000 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.24030E-02 ppm1 8.774 ppm2 2.179 CV 1 ASSI { 1003} (( segid " A" and resid 171 and name HN )) (( segid " A" and resid 171 and name HB1 )) 6.000 4.500 0.000 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.32636E-02 ppm1 7.563 ppm2 2.141 CV 1 ASSI { 1004} (( segid " A" and resid 174 and name HN )) (( segid " A" and resid 173 and name HB2 )) 6.000 4.500 0.000 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.37653E-03 ppm1 7.155 ppm2 2.111 CV 1 ASSI { 1005} (( segid " A" and resid 171 and name HN )) (( segid " A" and resid 171 and name HB2 )) 6.000 4.500 0.000 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.24980E-02 ppm1 7.572 ppm2 2.026 CV 1 ASSI { 1007} (( segid " A" and resid 171 and name HN )) (( segid " A" and resid 173 and name HB1 )) 6.000 4.500 0.000 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.69316E-03 ppm1 7.570 ppm2 1.863 CV 1 OR { 1007} (( segid " A" and resid 171 and name HN )) (( segid " A" and resid 168 and name HB2 )) OR { 1007} (( segid " A" and resid 171 and name HN )) (( segid " A" and resid 168 and name HG )) ASSI { 1008} (( segid " A" and resid 174 and name HN )) (( segid " A" and resid 173 and name HB1 )) 6.000 4.500 0.000 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.61801E-03 ppm1 7.158 ppm2 1.871 CV 1 ASSI { 1009} (( segid " A" and resid 259 and name HN )) (( segid " A" and resid 259 and name HD2 )) 6.000 4.500 0.000 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.11628E-02 ppm1 8.775 ppm2 1.742 CV 1 OR { 1009} (( segid " A" and resid 259 and name HN )) (( segid " A" and resid 259 and name HD1 )) ASSI { 1010} (( segid " A" and resid 171 and name HN )) (( segid " A" and resid 170 and name HB2 )) 6.000 4.500 0.000 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.21146E-02 ppm1 7.571 ppm2 1.738 CV 1 ASSI { 1011} (( segid " A" and resid 259 and name HN )) (( segid " A" and resid 259 and name HG1 )) 6.000 4.500 0.000 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.14474E-02 ppm1 8.773 ppm2 1.555 CV 1 ASSI { 1012} (( segid " A" and resid 171 and name HN )) (( segid " A" and resid 170 and name HB1 )) 6.000 4.500 0.000 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.18910E-02 ppm1 7.570 ppm2 1.549 CV 1 ASSI { 1013} (( segid " A" and resid 259 and name HN )) (( segid " A" and resid 259 and name HG2 )) 6.000 4.500 0.000 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.13436E-02 ppm1 8.774 ppm2 1.456 CV 1 ASSI { 1014} (( segid " A" and resid 174 and name HN )) ( segid " A" and resid 185 and name HG2%) 6.000 4.500 0.000 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.93617E-03 ppm1 7.161 ppm2 0.970 CV 1 OR { 1014} (( segid " A" and resid 174 and name HN )) ( segid " A" and resid 185 and name HG1%) ASSI { 1015} (( segid " A" and resid 171 and name HN )) ( segid " A" and resid 114 and name HG2%) 6.000 4.500 0.000 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.60885E-03 ppm1 7.567 ppm2 0.895 CV 1 OR { 1015} (( segid " A" and resid 171 and name HN )) ( segid " A" and resid 168 and name HD1%) ASSI { 1016} (( segid " A" and resid 171 and name HN )) ( segid " A" and resid 170 and name HD1%) 6.000 4.500 0.000 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.89039E-03 ppm1 7.569 ppm2 0.774 CV 1 ASSI { 1018} (( segid " A" and resid 221 and name HN )) (( segid " A" and resid 224 and name HN )) 6.000 4.500 0.000 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.66722E-03 ppm1 9.334 ppm2 7.601 CV 1 ASSI { 1019} (( segid " A" and resid 221 and name HN )) (( segid " A" and resid 221 and name HA )) 6.000 4.500 0.000 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.20658E-02 ppm1 9.333 ppm2 4.749 CV 1 ASSI { 1020} (( segid " A" and resid 221 and name HN )) (( segid " A" and resid 220 and name HA )) 6.000 4.500 0.000 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.39675E-02 ppm1 9.332 ppm2 4.584 CV 1 ASSI { 1021} (( segid " A" and resid 223 and name HN )) (( segid " A" and resid 223 and name HA )) 6.000 4.500 0.000 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.71376E-03 ppm1 8.249 ppm2 4.352 CV 1 ASSI { 1022} (( segid " A" and resid 221 and name HN )) (( segid " A" and resid 221 and name HB2 )) 6.000 4.500 0.000 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.71300E-03 ppm1 9.332 ppm2 4.183 CV 1 ASSI { 1023} (( segid " A" and resid 221 and name HN )) (( segid " A" and resid 221 and name HB1 )) 6.000 4.500 0.000 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.10510E-02 ppm1 9.335 ppm2 3.935 CV 1 ASSI { 1024} (( segid " A" and resid 221 and name HN )) (( segid " A" and resid 224 and name HB1 )) 6.000 4.500 0.000 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.15645E-02 ppm1 9.333 ppm2 2.983 CV 1 ASSI { 1025} (( segid " A" and resid 223 and name HN )) (( segid " A" and resid 223 and name HB1 )) 6.000 4.500 0.000 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.10968E-02 ppm1 8.246 ppm2 2.584 CV 1 ASSI { 1026} (( segid " A" and resid 221 and name HN )) (( segid " A" and resid 224 and name HB2 )) 6.000 4.500 0.000 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.14172E-02 ppm1 9.335 ppm2 2.496 CV 1 ASSI { 1027} (( segid " A" and resid 223 and name HN )) (( segid " A" and resid 223 and name HB2 )) 6.000 4.500 0.000 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.73894E-03 ppm1 8.241 ppm2 2.491 CV 1 ASSI { 1028} (( segid " A" and resid 221 and name HN )) (( segid " A" and resid 220 and name HB1 )) 6.000 4.500 0.000 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.91748E-03 ppm1 9.332 ppm2 1.963 CV 1 ASSI { 1029} (( segid " A" and resid 221 and name HN )) (( segid " A" and resid 220 and name HG )) 6.000 4.500 0.000 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.40552E-03 ppm1 9.336 ppm2 1.592 CV 1 ASSI { 1030} (( segid " A" and resid 171 and name HN )) ( segid " A" and resid 169 and name HB% ) 6.000 4.500 0.000 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.48640E-03 ppm1 7.572 ppm2 1.322 CV 1 ASSI { 1031} (( segid " A" and resid 221 and name HN )) (( segid " A" and resid 220 and name HB2 )) 6.000 4.500 0.000 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.14603E-02 ppm1 9.332 ppm2 1.264 CV 1 ASSI { 1032} (( segid " A" and resid 221 and name HN )) ( segid " A" and resid 220 and name HD2%) 6.000 4.500 0.000 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.98805E-03 ppm1 9.333 ppm2 0.885 CV 1 ASSI { 1033} (( segid " A" and resid 221 and name HN )) ( segid " A" and resid 220 and name HD1%) 6.000 4.500 0.000 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.23263E-02 ppm1 9.333 ppm2 0.675 CV 1 ASSI { 1034} (( segid " A" and resid 167 and name HN )) (( segid " A" and resid 169 and name HN )) 6.000 4.500 0.000 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.38950E-03 ppm1 7.390 ppm2 7.694 CV 1 ASSI { 1035} (( segid " A" and resid 270 and name HN )) ( segid " A" and resid 229 and name HE% ) 6.000 4.500 0.000 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.42765E-03 ppm1 7.717 ppm2 6.730 CV 1 ASSI { 1038} (( segid " A" and resid 167 and name HN )) (( segid " A" and resid 167 and name HA )) 6.000 4.500 0.000 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.25930E-02 ppm1 7.382 ppm2 3.669 CV 1 ASSI { 1039} (( segid " A" and resid 167 and name HN )) (( segid " A" and resid 164 and name HA )) 6.000 4.500 0.000 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.90145E-03 ppm1 7.380 ppm2 3.282 CV 1 ASSI { 1040} (( segid " A" and resid 167 and name HN )) (( segid " A" and resid 167 and name HG2 )) 6.000 4.500 0.000 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.11857E-02 ppm1 7.380 ppm2 2.311 CV 1 ASSI { 1041} (( segid " A" and resid 167 and name HN )) (( segid " A" and resid 167 and name HG1 )) 6.000 4.500 0.000 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.12181E-02 ppm1 7.381 ppm2 2.132 CV 1 ASSI { 1042} (( segid " A" and resid 167 and name HN )) (( segid " A" and resid 167 and name HB2 )) 6.000 4.500 0.000 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.39484E-02 ppm1 7.381 ppm2 1.928 CV 1 OR { 1042} (( segid " A" and resid 167 and name HN )) (( segid " A" and resid 167 and name HB1 )) ASSI { 1043} (( segid " A" and resid 167 and name HN )) ( segid " A" and resid 166 and name HB% ) 6.000 4.500 0.000 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.32335E-02 ppm1 7.381 ppm2 1.439 CV 1 ASSI { 1044} (( segid " A" and resid 167 and name HN )) ( segid " A" and resid 286 and name HG1%) 6.000 4.500 0.000 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.12013E-02 ppm1 7.381 ppm2 0.764 CV 1 OR { 1044} (( segid " A" and resid 167 and name HN )) (( segid " A" and resid 164 and name HB2 )) OR { 1044} (( segid " A" and resid 167 and name HN )) (( segid " A" and resid 164 and name HB1 )) OR { 1044} (( segid " A" and resid 167 and name HN )) ( segid " A" and resid 162 and name HG2%) ASSI { 1045} (( segid " A" and resid 157 and name HN )) ( segid " A" and resid 141 and name HG2%) 6.000 4.500 0.000 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.44939E-03 ppm1 8.428 ppm2 0.558 CV 1 ASSI { 1047} (( segid " A" and resid 173 and name HN )) ( segid " A" and resid 135 and name HE% ) 6.000 4.500 0.000 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.56155E-03 ppm1 8.074 ppm2 7.322 CV 1 OR { 1047} (( segid " A" and resid 173 and name HN )) (( segid " A" and resid 176 and name HN )) ASSI { 1048} (( segid " A" and resid 270 and name HN )) (( segid " A" and resid 269 and name HN )) 6.000 4.500 0.000 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.26387E-02 ppm1 7.725 ppm2 7.332 CV 1 ASSI { 1049} (( segid " A" and resid 157 and name HN )) ( segid " A" and resid 157 and name HD% ) 6.000 4.500 0.000 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.87856E-03 ppm1 8.423 ppm2 7.157 CV 1 ASSI { 1050} (( segid " A" and resid 270 and name HN )) ( segid " A" and resid 232 and name HE% ) 6.000 4.500 0.000 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.72025E-03 ppm1 7.722 ppm2 7.030 CV 1 ASSI { 1051} (( segid " A" and resid 157 and name HN )) (( segid " A" and resid 157 and name HA )) 6.000 4.500 0.000 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.85491E-03 ppm1 8.423 ppm2 5.427 CV 1 ASSI { 1052} (( segid " A" and resid 270 and name HN )) (( segid " A" and resid 270 and name HA )) 6.000 4.500 0.000 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.17293E-02 ppm1 7.723 ppm2 4.918 CV 1 ASSI { 1053} (( segid " A" and resid 157 and name HN )) (( segid " A" and resid 156 and name HA )) 6.000 4.500 0.000 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.37229E-02 ppm1 8.425 ppm2 4.746 CV 1 ASSI { 1054} (( segid " A" and resid 270 and name HN )) (( segid " A" and resid 269 and name HA )) 6.000 4.500 0.000 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.87742E-03 ppm1 7.724 ppm2 4.550 CV 1 ASSI { 1055} (( segid " A" and resid 167 and name HN )) (( segid " A" and resid 163 and name HA )) 6.000 4.500 0.000 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.38072E-03 ppm1 7.378 ppm2 4.124 CV 1 ASSI { 1056} (( segid " A" and resid 270 and name HN )) (( segid " A" and resid 269 and name HB2 )) 6.000 4.500 0.000 peak 1056 spectrum 1 weight 0.10000E+01 volume 0.96974E-03 ppm1 7.723 ppm2 3.497 CV 1 ASSI { 1057} (( segid " A" and resid 157 and name HN )) (( segid " A" and resid 157 and name HB1 )) 6.000 4.500 0.000 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.11124E-02 ppm1 8.425 ppm2 2.899 CV 1 ASSI { 1059} (( segid " A" and resid 157 and name HN )) (( segid " A" and resid 142 and name HB2 )) 6.000 4.500 0.000 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.58520E-03 ppm1 8.424 ppm2 2.586 CV 1 ASSI { 1060} (( segid " A" and resid 270 and name HN )) (( segid " A" and resid 266 and name HA )) 6.000 4.500 0.000 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.55468E-03 ppm1 7.722 ppm2 2.376 CV 1 ASSI { 1061} (( segid " A" and resid 270 and name HN )) (( segid " A" and resid 270 and name HB1 )) 6.000 4.500 0.000 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.38492E-02 ppm1 7.724 ppm2 1.913 CV 1 ASSI { 1062} (( segid " A" and resid 167 and name HN )) (( segid " A" and resid 170 and name HB2 )) 6.000 4.500 0.000 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.52378E-03 ppm1 7.379 ppm2 1.737 CV 1 ASSI { 1063} (( segid " A" and resid 270 and name HN )) (( segid " A" and resid 270 and name HG1 )) 6.000 4.500 0.000 peak 1063 spectrum 1 weight 0.10000E+01 volume 0.11109E-02 ppm1 7.727 ppm2 1.586 CV 1 ASSI { 1064} (( segid " A" and resid 270 and name HN )) ( segid " A" and resid 266 and name HB% ) 6.000 4.500 0.000 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.38988E-03 ppm1 7.726 ppm2 1.231 CV 1 ASSI { 1065} (( segid " A" and resid 270 and name HN )) ( segid " A" and resid 282 and name HG1%) 6.000 4.500 0.000 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.16381E-02 ppm1 7.723 ppm2 0.962 CV 1 OR { 1065} (( segid " A" and resid 270 and name HN )) ( segid " A" and resid 282 and name HG2%) ASSI { 1066} (( segid " A" and resid 157 and name HN )) ( segid " A" and resid 156 and name HB% ) 6.000 4.500 0.000 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.28562E-02 ppm1 8.425 ppm2 0.815 CV 1 ASSI { 1067} (( segid " A" and resid 167 and name HN )) ( segid " A" and resid 165 and name HB% ) 6.000 4.500 0.000 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.71948E-03 ppm1 7.380 ppm2 0.628 CV 1 ASSI { 1068} (( segid " A" and resid 270 and name HN )) ( segid " A" and resid 270 and name HE% ) 6.000 4.500 0.000 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.59817E-03 ppm1 7.726 ppm2 0.157 CV 1 ASSI { 1069} (( segid " A" and resid 130 and name HN )) (( segid " A" and resid 132 and name HN )) 6.000 4.500 0.000 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.80608E-03 ppm1 7.907 ppm2 8.045 CV 1 ASSI { 1070} (( segid " A" and resid 130 and name HN )) (( segid " A" and resid 128 and name HN )) 6.000 4.500 0.000 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.44100E-03 ppm1 7.906 ppm2 7.404 CV 1 ASSI { 1072} (( segid " A" and resid 173 and name HN )) (( segid " A" and resid 173 and name HA )) 6.000 4.500 0.000 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.16923E-02 ppm1 8.073 ppm2 5.015 CV 1 ASSI { 1073} (( segid " A" and resid 173 and name HN )) (( segid " A" and resid 172 and name HA )) 6.000 4.500 0.000 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.94838E-03 ppm1 8.073 ppm2 4.435 CV 1 ASSI { 1074} (( segid " A" and resid 130 and name HN )) (( segid " A" and resid 126 and name HA )) 6.000 4.500 0.000 peak 1074 spectrum 1 weight 0.10000E+01 volume 0.48868E-03 ppm1 7.903 ppm2 4.340 CV 1 ASSI { 1075} (( segid " A" and resid 173 and name HN )) (( segid " A" and resid 172 and name HB1 )) 6.000 4.500 0.000 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.17381E-02 ppm1 8.072 ppm2 2.360 CV 1 ASSI { 1076} (( segid " A" and resid 173 and name HN )) (( segid " A" and resid 173 and name HB2 )) 6.000 4.500 0.000 peak 1076 spectrum 1 weight 0.10000E+01 volume 0.23355E-02 ppm1 8.071 ppm2 2.120 CV 1 ASSI { 1077} (( segid " A" and resid 173 and name HN )) (( segid " A" and resid 173 and name HB1 )) 6.000 4.500 0.000 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.30729E-02 ppm1 8.071 ppm2 1.892 CV 1 ASSI { 1078} (( segid " A" and resid 173 and name HN )) (( segid " A" and resid 172 and name HB2 )) 6.000 4.500 0.000 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.18269E-02 ppm1 8.071 ppm2 1.745 CV 1 ASSI { 1079} (( segid " A" and resid 173 and name HN )) ( segid " A" and resid 173 and name HE% ) 6.000 4.500 0.000 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.98958E-03 ppm1 8.071 ppm2 1.344 CV 1 ASSI { 1080} (( segid " A" and resid 173 and name HN )) ( segid " A" and resid 185 and name HG2%) 6.000 4.500 0.000 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.16469E-02 ppm1 8.074 ppm2 0.968 CV 1 OR { 1080} (( segid " A" and resid 173 and name HN )) ( segid " A" and resid 185 and name HG1%) OR { 1080} (( segid " A" and resid 173 and name HN )) ( segid " A" and resid 176 and name HG1%) ASSI { 1081} (( segid " A" and resid 195 and name HE21)) ( segid " A" and resid 198 and name HD1%) 6.000 4.500 0.000 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.51157E-03 ppm1 6.546 ppm2 0.705 CV 1 ASSI { 1083} (( segid " A" and resid 195 and name HE22)) (( segid " A" and resid 199 and name HN )) 6.000 4.500 0.000 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.49937E-03 ppm1 7.870 ppm2 8.614 CV 1 ASSI { 1084} (( segid " A" and resid 229 and name HN )) (( segid " A" and resid 227 and name HN )) 6.000 4.500 0.000 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.49631E-03 ppm1 8.307 ppm2 7.875 CV 1 ASSI { 1085} (( segid " A" and resid 195 and name HE21)) (( segid " A" and resid 195 and name HE22)) 6.000 4.500 0.000 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.88505E-02 ppm1 6.541 ppm2 7.869 CV 1 ASSI { 1087} (( segid " A" and resid 229 and name HN )) ( segid " A" and resid 229 and name HE% ) 6.000 4.500 0.000 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.60428E-03 ppm1 8.302 ppm2 6.737 CV 1 ASSI { 1089} (( segid " A" and resid 130 and name HN )) (( segid " A" and resid 130 and name HA )) 6.000 4.500 0.000 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.46770E-02 ppm1 7.905 ppm2 3.998 CV 1 ASSI { 1091} (( segid " A" and resid 130 and name HN )) (( segid " A" and resid 129 and name HA )) 6.000 4.500 0.000 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.12868E-02 ppm1 7.903 ppm2 3.645 CV 1 ASSI { 1092} (( segid " A" and resid 130 and name HN )) (( segid " A" and resid 130 and name HG2 )) 6.000 4.500 0.000 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.21577E-02 ppm1 7.904 ppm2 2.520 CV 1 ASSI { 1093} (( segid " A" and resid 195 and name HE22)) (( segid " A" and resid 195 and name HG2 )) 6.000 4.500 0.000 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.39179E-02 ppm1 7.867 ppm2 2.349 CV 1 OR { 1093} (( segid " A" and resid 195 and name HE22)) (( segid " A" and resid 195 and name HG1 )) ASSI { 1094} (( segid " A" and resid 195 and name HE21)) (( segid " A" and resid 195 and name HG2 )) 6.000 4.500 0.000 peak 1094 spectrum 1 weight 0.10000E+01 volume 0.29081E-02 ppm1 6.542 ppm2 2.348 CV 1 OR { 1094} (( segid " A" and resid 195 and name HE21)) (( segid " A" and resid 195 and name HG1 )) ASSI { 1095} (( segid " A" and resid 130 and name HN )) (( segid " A" and resid 130 and name HB2 )) 6.000 4.500 0.000 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.88124E-02 ppm1 7.905 ppm2 2.146 CV 1 ASSI { 1096} (( segid " A" and resid 195 and name HE21)) (( segid " A" and resid 198 and name HB )) 6.000 4.500 0.000 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.72788E-03 ppm1 6.543 ppm2 1.969 CV 1 ASSI { 1097} (( segid " A" and resid 130 and name HN )) (( segid " A" and resid 129 and name HB2 )) 6.000 4.500 0.000 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.29386E-02 ppm1 7.905 ppm2 1.908 CV 1 ASSI { 1099} (( segid " A" and resid 195 and name HE22)) ( segid " A" and resid 198 and name HG2%) 6.000 4.500 0.000 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.14538E-02 ppm1 7.867 ppm2 0.897 CV 1 ASSI { 1100} (( segid " A" and resid 195 and name HE21)) ( segid " A" and resid 198 and name HG2%) 6.000 4.500 0.000 peak 1100 spectrum 1 weight 0.10000E+01 volume 0.19586E-02 ppm1 6.542 ppm2 0.895 CV 1 ASSI { 1101} (( segid " A" and resid 130 and name HN )) ( segid " A" and resid 138 and name HD1%) 6.000 4.500 0.000 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.71071E-03 ppm1 7.903 ppm2 0.730 CV 1 OR { 1101} (( segid " A" and resid 130 and name HN )) ( segid " A" and resid 141 and name HD1%) ASSI { 1102} (( segid " A" and resid 195 and name HE22)) ( segid " A" and resid 198 and name HD1%) 6.000 4.500 0.000 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.52378E-03 ppm1 7.868 ppm2 0.703 CV 1 ASSI { 1104} (( segid " A" and resid 172 and name HN )) (( segid " A" and resid 169 and name HN )) 6.000 4.500 0.000 peak 1104 spectrum 1 weight 0.10000E+01 volume 0.46313E-03 ppm1 8.154 ppm2 7.695 CV 1 ASSI { 1105} (( segid " A" and resid 229 and name HN )) ( segid " A" and resid 229 and name HD% ) 6.000 4.500 0.000 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.33201E-02 ppm1 8.300 ppm2 7.651 CV 1 ASSI { 1106} (( segid " A" and resid 208 and name HN )) ( segid " A" and resid 208 and name HE% ) 6.000 4.500 0.000 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.46351E-02 ppm1 7.674 ppm2 7.346 CV 1 ASSI { 1107} (( segid " A" and resid 172 and name HN )) ( segid " A" and resid 135 and name HE% ) 6.000 4.500 0.000 peak 1107 spectrum 1 weight 0.10000E+01 volume 0.49021E-03 ppm1 8.164 ppm2 7.317 CV 1 ASSI { 1109} (( segid " A" and resid 286 and name HN )) (( segid " A" and resid 287 and name HN )) 6.000 4.500 0.000 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.20013E-02 ppm1 9.823 ppm2 7.202 CV 1 ASSI { 1110} (( segid " A" and resid 161 and name HN )) (( segid " A" and resid 160 and name HA )) 6.000 4.500 0.000 peak 1110 spectrum 1 weight 0.10000E+01 volume 0.19677E-02 ppm1 8.709 ppm2 5.068 CV 1 ASSI { 1111} (( segid " A" and resid 286 and name HN )) (( segid " A" and resid 285 and name HA )) 6.000 4.500 0.000 peak 1111 spectrum 1 weight 0.10000E+01 volume 0.18853E-02 ppm1 9.823 ppm2 4.726 CV 1 ASSI { 1112} (( segid " A" and resid 286 and name HN )) (( segid " A" and resid 286 and name HA )) 6.000 4.500 0.000 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.76603E-03 ppm1 9.827 ppm2 4.490 CV 1 ASSI { 1113} (( segid " A" and resid 208 and name HN )) (( segid " A" and resid 208 and name HA )) 6.000 4.500 0.000 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.20318E-02 ppm1 7.674 ppm2 4.459 CV 1 ASSI { 1114} (( segid " A" and resid 229 and name HN )) (( segid " A" and resid 229 and name HA )) 6.000 4.500 0.000 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.17857E-02 ppm1 8.298 ppm2 4.157 CV 1 ASSI { 1115} (( segid " A" and resid 208 and name HN )) (( segid " A" and resid 207 and name HA )) 6.000 4.500 0.000 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.16209E-02 ppm1 7.673 ppm2 4.105 CV 1 ASSI { 1116} (( segid " A" and resid 229 and name HN )) (( segid " A" and resid 229 and name HB1 )) 6.000 4.500 0.000 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.15126E-02 ppm1 8.299 ppm2 3.453 CV 1 ASSI { 1117} (( segid " A" and resid 208 and name HN )) (( segid " A" and resid 208 and name HB1 )) 6.000 4.500 0.000 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.15492E-02 ppm1 7.674 ppm2 2.976 CV 1 ASSI { 1118} (( segid " A" and resid 208 and name HN )) (( segid " A" and resid 208 and name HB2 )) 6.000 4.500 0.000 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.21363E-02 ppm1 7.674 ppm2 2.901 CV 1 ASSI { 1119} (( segid " A" and resid 229 and name HN )) (( segid " A" and resid 229 and name HB2 )) 6.000 4.500 0.000 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.22222E-02 ppm1 8.298 ppm2 2.782 CV 1 ASSI { 1120} (( segid " A" and resid 286 and name HN )) (( segid " A" and resid 286 and name HB )) 6.000 4.500 0.000 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.13085E-02 ppm1 9.824 ppm2 2.339 CV 1 ASSI { 1121} (( segid " A" and resid 229 and name HN )) (( segid " A" and resid 228 and name HB )) 6.000 4.500 0.000 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.24980E-02 ppm1 8.300 ppm2 2.047 CV 1 ASSI { 1122} (( segid " A" and resid 208 and name HN )) (( segid " A" and resid 206 and name HB2 )) 6.000 4.500 0.000 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.66646E-03 ppm1 7.677 ppm2 1.969 CV 1 OR { 1122} (( segid " A" and resid 208 and name HN )) (( segid " A" and resid 206 and name HB1 )) OR { 1122} (( segid " A" and resid 208 and name HN )) (( segid " A" and resid 206 and name HG1 )) ASSI { 1123} (( segid " A" and resid 286 and name HN )) ( segid " A" and resid 285 and name HB% ) 6.000 4.500 0.000 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.15279E-02 ppm1 9.826 ppm2 1.492 CV 1 ASSI { 1124} (( segid " A" and resid 161 and name HN )) (( segid " A" and resid 139 and name HB1 )) 6.000 4.500 0.000 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.41430E-03 ppm1 8.700 ppm2 1.393 CV 1 ASSI { 1125} (( segid " A" and resid 208 and name HN )) ( segid " A" and resid 207 and name HB% ) 6.000 4.500 0.000 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.30858E-02 ppm1 7.674 ppm2 1.126 CV 1 ASSI { 1126} (( segid " A" and resid 286 and name HN )) ( segid " A" and resid 287 and name HG2%) 6.000 4.500 0.000 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.42879E-03 ppm1 9.831 ppm2 1.065 CV 1 ASSI { 1127} (( segid " A" and resid 229 and name HN )) ( segid " A" and resid 228 and name HG1%) 6.000 4.500 0.000 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.15103E-02 ppm1 8.300 ppm2 0.964 CV 1 ASSI { 1128} (( segid " A" and resid 172 and name HN )) ( segid " A" and resid 168 and name HD2%) 6.000 4.500 0.000 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.49937E-03 ppm1 8.155 ppm2 0.965 CV 1 OR { 1128} (( segid " A" and resid 172 and name HN )) ( segid " A" and resid 185 and name HG1%) OR { 1128} (( segid " A" and resid 172 and name HN )) ( segid " A" and resid 185 and name HG2%) ASSI { 1129} (( segid " A" and resid 286 and name HN )) ( segid " A" and resid 286 and name HG1%) 6.000 4.500 0.000 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.11719E-02 ppm1 9.822 ppm2 0.751 CV 1 ASSI { 1130} (( segid " A" and resid 229 and name HN )) ( segid " A" and resid 225 and name HG2%) 6.000 4.500 0.000 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.12917E-02 ppm1 8.302 ppm2 0.619 CV 1 ASSI { 1131} (( segid " A" and resid 286 and name HN )) ( segid " A" and resid 286 and name HG2%) 6.000 4.500 0.000 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.19154E-02 ppm1 9.824 ppm2 0.525 CV 1 ASSI { 1132} (( segid " A" and resid 229 and name HN )) ( segid " A" and resid 228 and name HG2%) 6.000 4.500 0.000 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.10846E-02 ppm1 8.301 ppm2 0.456 CV 1 ASSI { 1133} (( segid " A" and resid 229 and name HN )) ( segid " A" and resid 255 and name HD1%) 6.000 4.500 0.000 peak 1133 spectrum 1 weight 0.10000E+01 volume 0.49555E-03 ppm1 8.300 ppm2 -0.151 CV 1 ASSI { 1134} (( segid " A" and resid 161 and name HN )) (( segid " A" and resid 139 and name HN )) 6.000 4.500 0.000 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.61343E-03 ppm1 8.706 ppm2 9.487 CV 1 ASSI { 1135} (( segid " A" and resid 161 and name HN )) (( segid " A" and resid 160 and name HN )) 6.000 4.500 0.000 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.52531E-03 ppm1 8.706 ppm2 8.899 CV 1 ASSI { 1136} (( segid " A" and resid 172 and name HN )) (( segid " A" and resid 169 and name HN )) 6.000 4.500 0.000 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.42955E-03 ppm1 8.147 ppm2 7.703 CV 1 ASSI { 1138} (( segid " A" and resid 161 and name HN )) (( segid " A" and resid 162 and name HN )) 6.000 4.500 0.000 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.18811E-02 ppm1 8.710 ppm2 6.804 CV 1 ASSI { 1139} (( segid " A" and resid 172 and name HN )) (( segid " A" and resid 172 and name HA )) 6.000 4.500 0.000 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.18594E-02 ppm1 8.156 ppm2 4.433 CV 1 ASSI { 1140} (( segid " A" and resid 161 and name HN )) (( segid " A" and resid 161 and name HA )) 6.000 4.500 0.000 peak 1140 spectrum 1 weight 0.10000E+01 volume 0.12963E-02 ppm1 8.710 ppm2 4.184 CV 1 ASSI { 1141} (( segid " A" and resid 172 and name HN )) (( segid " A" and resid 171 and name HA )) 6.000 4.500 0.000 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.13802E-02 ppm1 8.155 ppm2 4.001 CV 1 ASSI { 1142} (( segid " A" and resid 208 and name HN )) (( segid " A" and resid 205 and name HA )) 6.000 4.500 0.000 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.50471E-03 ppm1 7.670 ppm2 3.837 CV 1 ASSI { 1143} (( segid " A" and resid 161 and name HN )) (( segid " A" and resid 138 and name HA )) 6.000 4.500 0.000 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.48640E-03 ppm1 8.709 ppm2 3.721 CV 1 ASSI { 1144} (( segid " A" and resid 161 and name HN )) (( segid " A" and resid 160 and name HB1 )) 6.000 4.500 0.000 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.91862E-03 ppm1 8.712 ppm2 3.118 CV 1 ASSI { 1145} (( segid " A" and resid 172 and name HN )) (( segid " A" and resid 172 and name HG2 )) 6.000 4.500 0.000 peak 1145 spectrum 1 weight 0.10000E+01 volume 0.14909E-02 ppm1 8.157 ppm2 2.742 CV 1 ASSI { 1146} (( segid " A" and resid 161 and name HN )) (( segid " A" and resid 160 and name HB2 )) 6.000 4.500 0.000 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.59283E-03 ppm1 8.713 ppm2 2.726 CV 1 ASSI { 1147} (( segid " A" and resid 172 and name HN )) (( segid " A" and resid 172 and name HB1 )) 6.000 4.500 0.000 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.33632E-02 ppm1 8.155 ppm2 2.361 CV 1 ASSI { 1148} (( segid " A" and resid 161 and name HN )) (( segid " A" and resid 161 and name HB2 )) 6.000 4.500 0.000 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.23999E-02 ppm1 8.709 ppm2 2.197 CV 1 ASSI { 1149} (( segid " A" and resid 172 and name HN )) (( segid " A" and resid 171 and name HB1 )) 6.000 4.500 0.000 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.15969E-02 ppm1 8.156 ppm2 2.147 CV 1 ASSI { 1150} (( segid " A" and resid 172 and name HN )) (( segid " A" and resid 171 and name HB2 )) 6.000 4.500 0.000 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.12993E-02 ppm1 8.155 ppm2 2.029 CV 1 ASSI { 1151} (( segid " A" and resid 161 and name HN )) (( segid " A" and resid 161 and name HB1 )) 6.000 4.500 0.000 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.14779E-02 ppm1 8.710 ppm2 1.958 CV 1 ASSI { 1152} (( segid " A" and resid 172 and name HN )) (( segid " A" and resid 173 and name HB1 )) 6.000 4.500 0.000 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.75382E-03 ppm1 8.153 ppm2 1.884 CV 1 OR { 1152} (( segid " A" and resid 172 and name HN )) (( segid " A" and resid 168 and name HG )) ASSI { 1153} (( segid " A" and resid 172 and name HN )) (( segid " A" and resid 172 and name HB2 )) 6.000 4.500 0.000 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.22801E-02 ppm1 8.155 ppm2 1.723 CV 1 ASSI { 1154} (( segid " A" and resid 161 and name HN )) ( segid " A" and resid 162 and name HG2%) 6.000 4.500 0.000 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.48182E-03 ppm1 8.705 ppm2 0.756 CV 1 ASSI { 1155} (( segid " A" and resid 251 and name HN )) ( segid " A" and resid 216 and name HG1%) 6.000 4.500 0.000 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.40361E-03 ppm1 11.185 ppm2 0.657 CV 1 ASSI { 1157} (( segid " A" and resid 251 and name HN )) (( segid " A" and resid 249 and name HE1 )) 6.000 4.500 0.000 peak 1157 spectrum 1 weight 0.10000E+01 volume 0.87856E-03 ppm1 11.188 ppm2 7.400 CV 1 ASSI { 1158} (( segid " A" and resid 251 and name HN )) (( segid " A" and resid 252 and name HN )) 6.000 4.500 0.000 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.13146E-02 ppm1 11.187 ppm2 7.107 CV 1 ASSI { 1159} (( segid " A" and resid 251 and name HN )) (( segid " A" and resid 250 and name HA )) 6.000 4.500 0.000 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.95448E-03 ppm1 11.190 ppm2 4.385 CV 1 ASSI { 1160} (( segid " A" and resid 251 and name HN )) (( segid " A" and resid 251 and name HA2 )) 6.000 4.500 0.000 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.21085E-02 ppm1 11.188 ppm2 4.286 CV 1 ASSI { 1161} (( segid " A" and resid 251 and name HN )) (( segid " A" and resid 251 and name HA1 )) 6.000 4.500 0.000 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.19463E-02 ppm1 11.188 ppm2 4.111 CV 1 ASSI { 1163} (( segid " A" and resid 251 and name HN )) (( segid " A" and resid 250 and name HG2 )) 6.000 4.500 0.000 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.43871E-03 ppm1 11.192 ppm2 1.437 CV 1 ASSI { 1164} (( segid " A" and resid 251 and name HN )) (( segid " A" and resid 250 and name HG1 )) 6.000 4.500 0.000 peak 1164 spectrum 1 weight 0.10000E+01 volume 0.75840E-03 ppm1 11.191 ppm2 1.299 CV 1 ASSI { 1165} (( segid " A" and resid 276 and name HN )) ( segid " A" and resid 275 and name HD1%) 6.000 4.500 0.000 peak 1165 spectrum 1 weight 0.10000E+01 volume 0.65044E-03 ppm1 9.024 ppm2 1.019 CV 1 ASSI { 1166} (( segid " A" and resid 112 and name HN )) (( segid " A" and resid 160 and name HN )) 6.000 4.500 0.000 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.42612E-03 ppm1 7.199 ppm2 8.928 CV 1 ASSI { 1170} (( segid " A" and resid 112 and name HN )) (( segid " A" and resid 112 and name HA )) 6.000 4.500 0.000 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.31770E-02 ppm1 7.202 ppm2 4.113 CV 1 ASSI { 1171} (( segid " A" and resid 112 and name HN )) (( segid " A" and resid 111 and name HA )) 6.000 4.500 0.000 peak 1171 spectrum 1 weight 0.10000E+01 volume 0.76374E-03 ppm1 7.201 ppm2 3.871 CV 1 ASSI { 1172} (( segid " A" and resid 112 and name HN )) (( segid " A" and resid 112 and name HB1 )) 6.000 4.500 0.000 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.23507E-02 ppm1 7.201 ppm2 3.549 CV 1 ASSI { 1173} (( segid " A" and resid 112 and name HN )) (( segid " A" and resid 112 and name HB2 )) 6.000 4.500 0.000 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.36752E-02 ppm1 7.202 ppm2 3.049 CV 1 ASSI { 1174} (( segid " A" and resid 112 and name HN )) (( segid " A" and resid 111 and name HB2 )) 6.000 4.500 0.000 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.13825E-02 ppm1 7.204 ppm2 2.269 CV 1 OR { 1174} (( segid " A" and resid 112 and name HN )) (( segid " A" and resid 111 and name HB1 )) ASSI { 1175} (( segid " A" and resid 112 and name HN )) (( segid " A" and resid 113 and name HB2 )) 6.000 4.500 0.000 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.12120E-02 ppm1 7.201 ppm2 1.696 CV 1 OR { 1175} (( segid " A" and resid 112 and name HN )) (( segid " A" and resid 113 and name HG2 )) OR { 1175} (( segid " A" and resid 112 and name HN )) (( segid " A" and resid 110 and name HG11)) OR { 1175} (( segid " A" and resid 112 and name HN )) (( segid " A" and resid 163 and name HB1 )) ASSI { 1176} (( segid " A" and resid 112 and name HN )) ( segid " A" and resid 109 and name HB% ) 6.000 4.500 0.000 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.11796E-02 ppm1 7.203 ppm2 1.423 CV 1 ASSI { 1177} (( segid " A" and resid 112 and name HN )) ( segid " A" and resid 108 and name HD1%) 6.000 4.500 0.000 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.63632E-03 ppm1 7.204 ppm2 0.819 CV 1 OR { 1177} (( segid " A" and resid 112 and name HN )) ( segid " A" and resid 110 and name HG2%) ASSI { 1178} (( segid " A" and resid 263 and name HN )) (( segid " A" and resid 259 and name HN )) 6.000 4.500 0.000 peak 1178 spectrum 1 weight 0.10000E+01 volume 0.46618E-03 ppm1 6.855 ppm2 8.796 CV 1 OR { 1178} (( segid " A" and resid 263 and name HN )) (( segid " A" and resid 257 and name HN )) ASSI { 1180} (( segid " A" and resid 271 and name HD22)) (( segid " A" and resid 271 and name HD21)) 6.000 4.500 0.000 peak 1180 spectrum 1 weight 0.10000E+01 volume 0.42650E-02 ppm1 6.514 ppm2 7.862 CV 1 ASSI { 1182} (( segid " A" and resid 271 and name HD21)) (( segid " A" and resid 172 and name HE22)) 6.000 4.500 0.000 peak 1182 spectrum 1 weight 0.10000E+01 volume 0.58596E-03 ppm1 7.863 ppm2 6.824 CV 1 ASSI { 1184} (( segid " A" and resid 263 and name HN )) (( segid " A" and resid 257 and name HA )) 6.000 4.500 0.000 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.87208E-03 ppm1 6.852 ppm2 4.813 CV 1 ASSI { 1185} (( segid " A" and resid 263 and name HN )) (( segid " A" and resid 260 and name HA )) 6.000 4.500 0.000 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.12902E-02 ppm1 6.854 ppm2 3.902 CV 1 ASSI { 1186} (( segid " A" and resid 263 and name HN )) (( segid " A" and resid 263 and name HB1 )) 6.000 4.500 0.000 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.31858E-02 ppm1 6.853 ppm2 3.770 CV 1 ASSI { 1187} (( segid " A" and resid 263 and name HN )) (( segid " A" and resid 263 and name HA )) 6.000 4.500 0.000 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.23721E-02 ppm1 6.853 ppm2 3.668 CV 1 ASSI { 1188} (( segid " A" and resid 209 and name HD21)) (( segid " A" and resid 209 and name HB2 )) 6.000 4.500 0.000 peak 1188 spectrum 1 weight 0.10000E+01 volume 0.16034E-02 ppm1 6.600 ppm2 3.541 CV 1 ASSI { 1189} (( segid " A" and resid 263 and name HN )) (( segid " A" and resid 262 and name HB1 )) 6.000 4.500 0.000 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.14973E-02 ppm1 6.854 ppm2 3.476 CV 1 ASSI { 1190} (( segid " A" and resid 263 and name HN )) (( segid " A" and resid 262 and name HB2 )) 6.000 4.500 0.000 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.88085E-03 ppm1 6.853 ppm2 2.843 CV 1 ASSI { 1191} (( segid " A" and resid 271 and name HD22)) (( segid " A" and resid 271 and name HB1 )) 6.000 4.500 0.000 peak 1191 spectrum 1 weight 0.10000E+01 volume 0.13566E-02 ppm1 6.515 ppm2 2.809 CV 1 ASSI { 1192} (( segid " A" and resid 263 and name HN )) (( segid " A" and resid 257 and name HB1 )) 6.000 4.500 0.000 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.61725E-03 ppm1 6.853 ppm2 2.712 CV 1 ASSI { 1193} (( segid " A" and resid 209 and name HD22)) (( segid " A" and resid 209 and name HB1 )) 6.000 4.500 0.000 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.74962E-03 ppm1 6.602 ppm2 2.649 CV 1 ASSI { 1194} (( segid " A" and resid 263 and name HN )) (( segid " A" and resid 264 and name HB2 )) 6.000 4.500 0.000 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.83088E-03 ppm1 6.854 ppm2 2.043 CV 1 OR { 1194} (( segid " A" and resid 263 and name HN )) (( segid " A" and resid 264 and name HB1 )) ASSI { 1195} (( segid " A" and resid 112 and name HN )) ( segid " A" and resid 111 and name HE% ) 6.000 4.500 0.000 peak 1195 spectrum 1 weight 0.10000E+01 volume 0.59359E-03 ppm1 7.202 ppm2 1.966 CV 1 OR { 1195} (( segid " A" and resid 112 and name HN )) (( segid " A" and resid 163 and name HG1 )) ASSI { 1196} (( segid " A" and resid 112 and name HN )) (( segid " A" and resid 110 and name HB )) 6.000 4.500 0.000 peak 1196 spectrum 1 weight 0.10000E+01 volume 0.74085E-03 ppm1 7.205 ppm2 1.833 CV 1 OR { 1196} (( segid " A" and resid 112 and name HN )) (( segid " A" and resid 163 and name HG2 )) ASSI { 1197} (( segid " A" and resid 271 and name HD21)) (( segid " A" and resid 272 and name HG )) 6.000 4.500 0.000 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.88200E-03 ppm1 7.862 ppm2 1.484 CV 1 OR { 1197} (( segid " A" and resid 271 and name HD21)) (( segid " A" and resid 281 and name HG1 )) ASSI { 1198} (( segid " A" and resid 263 and name HN )) ( segid " A" and resid 211 and name HG2%) 6.000 4.500 0.000 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.64815E-03 ppm1 6.855 ppm2 0.941 CV 1 OR { 1198} (( segid " A" and resid 263 and name HN )) ( segid " A" and resid 267 and name HG1%) ASSI { 1199} (( segid " A" and resid 271 and name HD22)) ( segid " A" and resid 272 and name HD1%) 6.000 4.500 0.000 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.80265E-03 ppm1 6.513 ppm2 0.782 CV 1 ASSI { 1200} (( segid " A" and resid 271 and name HD21)) ( segid " A" and resid 272 and name HD1%) 6.000 4.500 0.000 peak 1200 spectrum 1 weight 0.10000E+01 volume 0.93922E-03 ppm1 7.863 ppm2 0.775 CV 1 ASSI { 1201} (( segid " A" and resid 271 and name HD22)) ( segid " A" and resid 272 and name HD2%) 6.000 4.500 0.000 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.42421E-03 ppm1 6.513 ppm2 0.684 CV 1 ASSI { 1202} (( segid " A" and resid 167 and name HE21)) (( segid " A" and resid 167 and name HE22)) 6.000 4.500 0.000 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.98920E-02 ppm1 6.691 ppm2 7.999 CV 1 ASSI { 1203} (( segid " A" and resid 271 and name HD22)) (( segid " A" and resid 172 and name HE22)) 6.000 4.500 0.000 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.53370E-03 ppm1 6.520 ppm2 6.828 CV 1 ASSI { 1205} (( segid " A" and resid 271 and name HD21)) (( segid " A" and resid 271 and name HB1 )) 6.000 4.500 0.000 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.22832E-02 ppm1 7.864 ppm2 2.813 CV 1 ASSI { 1206} (( segid " A" and resid 167 and name HE21)) (( segid " A" and resid 171 and name HG2 )) 6.000 4.500 0.000 peak 1206 spectrum 1 weight 0.10000E+01 volume 0.49174E-03 ppm1 6.691 ppm2 2.625 CV 1 ASSI { 1207} (( segid " A" and resid 167 and name HE21)) (( segid " A" and resid 167 and name HG2 )) 6.000 4.500 0.000 peak 1207 spectrum 1 weight 0.10000E+01 volume 0.10846E-02 ppm1 6.692 ppm2 2.304 CV 1 ASSI { 1208} (( segid " A" and resid 167 and name HE22)) (( segid " A" and resid 167 and name HG2 )) 6.000 4.500 0.000 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.14691E-02 ppm1 7.999 ppm2 2.300 CV 1 ASSI { 1209} (( segid " A" and resid 167 and name HE22)) (( segid " A" and resid 167 and name HG1 )) 6.000 4.500 0.000 peak 1209 spectrum 1 weight 0.10000E+01 volume 0.22374E-02 ppm1 7.999 ppm2 2.140 CV 1 ASSI { 1210} (( segid " A" and resid 167 and name HE21)) (( segid " A" and resid 167 and name HG1 )) 6.000 4.500 0.000 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.22191E-02 ppm1 6.692 ppm2 2.146 CV 1 ASSI { 1212} (( segid " A" and resid 271 and name HD22)) (( segid " A" and resid 272 and name HG )) 6.000 4.500 0.000 peak 1212 spectrum 1 weight 0.10000E+01 volume 0.73551E-03 ppm1 6.515 ppm2 1.492 CV 1 OR { 1212} (( segid " A" and resid 271 and name HD22)) (( segid " A" and resid 272 and name HB1 )) OR { 1212} (( segid " A" and resid 271 and name HD22)) (( segid " A" and resid 281 and name HG1 )) ASSI { 1213} (( segid " A" and resid 209 and name HD21)) ( segid " A" and resid 260 and name HB% ) 6.000 4.500 0.000 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.53828E-03 ppm1 6.599 ppm2 1.401 CV 1 OR { 1213} (( segid " A" and resid 209 and name HD22)) ( segid " A" and resid 260 and name HB% ) ASSI { 1214} (( segid " A" and resid 167 and name HE22)) ( segid " A" and resid 286 and name HG1%) 6.000 4.500 0.000 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.78434E-03 ppm1 7.994 ppm2 0.767 CV 1 ASSI { 1215} (( segid " A" and resid 167 and name HE21)) ( segid " A" and resid 286 and name HG1%) 6.000 4.500 0.000 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.11674E-02 ppm1 6.689 ppm2 0.766 CV 1 ASSI { 1216} (( segid " A" and resid 254 and name HN )) (( segid " A" and resid 253 and name HN )) 6.000 4.500 0.000 peak 1216 spectrum 1 weight 0.10000E+01 volume 0.11094E-02 ppm1 7.778 ppm2 8.745 CV 1 OR { 1216} (( segid " A" and resid 254 and name HN )) (( segid " A" and resid 255 and name HN )) ASSI { 1217} (( segid " A" and resid 254 and name HN )) (( segid " A" and resid 241 and name HN )) 6.000 4.500 0.000 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.64319E-03 ppm1 7.779 ppm2 8.339 CV 1 ASSI { 1219} (( segid " A" and resid 218 and name HE22)) (( segid " A" and resid 218 and name HE21)) 6.000 4.500 0.000 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.61191E-02 ppm1 6.697 ppm2 7.377 CV 1 ASSI { 1220} (( segid " A" and resid 254 and name HN )) ( segid " A" and resid 254 and name HD% ) 6.000 4.500 0.000 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.20074E-02 ppm1 7.779 ppm2 7.232 CV 1 ASSI { 1221} (( segid " A" and resid 254 and name HN )) ( segid " A" and resid 252 and name HD% ) 6.000 4.500 0.000 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.57757E-03 ppm1 7.778 ppm2 6.785 CV 1 OR { 1221} (( segid " A" and resid 254 and name HN )) ( segid " A" and resid 252 and name HE% ) ASSI { 1223} (( segid " A" and resid 254 and name HN )) (( segid " A" and resid 254 and name HA )) 6.000 4.500 0.000 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.11323E-02 ppm1 7.776 ppm2 5.708 CV 1 ASSI { 1224} (( segid " A" and resid 254 and name HN )) (( segid " A" and resid 240 and name HA )) 6.000 4.500 0.000 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.15904E-02 ppm1 7.777 ppm2 4.559 CV 1 ASSI { 1227} (( segid " A" and resid 254 and name HN )) (( segid " A" and resid 253 and name HA1 )) 6.000 4.500 0.000 peak 1227 spectrum 1 weight 0.10000E+01 volume 0.36928E-02 ppm1 7.774 ppm2 3.992 CV 1 ASSI { 1228} (( segid " A" and resid 254 and name HN )) (( segid " A" and resid 254 and name HB2 )) 6.000 4.500 0.000 peak 1228 spectrum 1 weight 0.10000E+01 volume 0.26174E-02 ppm1 7.777 ppm2 2.717 CV 1 ASSI { 1229} (( segid " A" and resid 167 and name HE22)) (( segid " A" and resid 171 and name HG2 )) 6.000 4.500 0.000 peak 1229 spectrum 1 weight 0.10000E+01 volume 0.91214E-03 ppm1 8.001 ppm2 2.636 CV 1 ASSI { 1230} (( segid " A" and resid 218 and name HE21)) (( segid " A" and resid 218 and name HG1 )) 6.000 4.500 0.000 peak 1230 spectrum 1 weight 0.10000E+01 volume 0.11307E-02 ppm1 7.375 ppm2 2.180 CV 1 ASSI { 1231} (( segid " A" and resid 218 and name HE21)) (( segid " A" and resid 218 and name HG2 )) 6.000 4.500 0.000 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.13222E-02 ppm1 7.376 ppm2 2.088 CV 1 ASSI { 1232} (( segid " A" and resid 167 and name HE22)) (( segid " A" and resid 167 and name HB2 )) 6.000 4.500 0.000 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.47724E-03 ppm1 8.004 ppm2 1.957 CV 1 OR { 1232} (( segid " A" and resid 167 and name HE22)) (( segid " A" and resid 167 and name HB1 )) ASSI { 1233} (( segid " A" and resid 218 and name HE21)) (( segid " A" and resid 218 and name HB1 )) 6.000 4.500 0.000 peak 1233 spectrum 1 weight 0.10000E+01 volume 0.48029E-03 ppm1 7.379 ppm2 1.805 CV 1 ASSI { 1234} (( segid " A" and resid 254 and name HN )) ( segid " A" and resid 239 and name HG2%) 6.000 4.500 0.000 peak 1234 spectrum 1 weight 0.10000E+01 volume 0.65730E-03 ppm1 7.780 ppm2 1.148 CV 1 ASSI { 1235} (( segid " A" and resid 254 and name HN )) (( segid " A" and resid 240 and name HB1 )) 6.000 4.500 0.000 peak 1235 spectrum 1 weight 0.10000E+01 volume 0.48411E-03 ppm1 7.789 ppm2 0.750 CV 1 OR { 1235} (( segid " A" and resid 254 and name HN )) ( segid " A" and resid 241 and name HB% ) ASSI { 1236} (( segid " A" and resid 254 and name HN )) ( segid " A" and resid 240 and name HD2%) 6.000 4.500 0.000 peak 1236 spectrum 1 weight 0.10000E+01 volume 0.12730E-02 ppm1 7.778 ppm2 0.061 CV 1 ASSI { 1238} (( segid " A" and resid 252 and name HN )) (( segid " A" and resid 253 and name HN )) 6.000 4.500 0.000 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.90565E-03 ppm1 7.111 ppm2 8.748 CV 1 ASSI { 1239} (( segid " A" and resid 252 and name HN )) (( segid " A" and resid 250 and name HN )) 6.000 4.500 0.000 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.83202E-03 ppm1 7.106 ppm2 8.607 CV 1 ASSI { 1241} (( segid " A" and resid 245 and name HN )) (( segid " A" and resid 246 and name HN )) 6.000 4.500 0.000 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.54820E-03 ppm1 8.406 ppm2 7.610 CV 1 ASSI { 1242} (( segid " A" and resid 252 and name HN )) (( segid " A" and resid 249 and name HE1 )) 6.000 4.500 0.000 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.62182E-03 ppm1 7.110 ppm2 7.378 CV 1 ASSI { 1243} (( segid " A" and resid 252 and name HN )) ( segid " A" and resid 252 and name HD% ) 6.000 4.500 0.000 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.37706E-02 ppm1 7.109 ppm2 6.782 CV 1 ASSI { 1244} (( segid " A" and resid 252 and name HN )) (( segid " A" and resid 252 and name HA )) 6.000 4.500 0.000 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.19647E-02 ppm1 7.108 ppm2 5.582 CV 1 ASSI { 1245} (( segid " A" and resid 252 and name HN )) (( segid " A" and resid 214 and name HA )) 6.000 4.500 0.000 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.48640E-03 ppm1 7.107 ppm2 5.067 CV 1 ASSI { 1246} (( segid " A" and resid 245 and name HN )) (( segid " A" and resid 246 and name HA )) 6.000 4.500 0.000 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.74733E-03 ppm1 8.411 ppm2 4.393 CV 1 ASSI { 1247} (( segid " A" and resid 252 and name HN )) (( segid " A" and resid 251 and name HA2 )) 6.000 4.500 0.000 peak 1247 spectrum 1 weight 0.10000E+01 volume 0.15710E-02 ppm1 7.108 ppm2 4.288 CV 1 ASSI { 1248} (( segid " A" and resid 245 and name HN )) (( segid " A" and resid 245 and name HB )) 6.000 4.500 0.000 peak 1248 spectrum 1 weight 0.10000E+01 volume 0.15214E-02 ppm1 8.406 ppm2 4.251 CV 1 ASSI { 1249} (( segid " A" and resid 252 and name HN )) (( segid " A" and resid 251 and name HA1 )) 6.000 4.500 0.000 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.19677E-02 ppm1 7.107 ppm2 4.110 CV 1 ASSI { 1250} (( segid " A" and resid 245 and name HN )) (( segid " A" and resid 244 and name HD2 )) 6.000 4.500 0.000 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.39751E-03 ppm1 8.398 ppm2 4.035 CV 1 ASSI { 1251} (( segid " A" and resid 252 and name HN )) (( segid " A" and resid 252 and name HB2 )) 6.000 4.500 0.000 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.86140E-03 ppm1 7.108 ppm2 2.985 CV 1 ASSI { 1252} (( segid " A" and resid 252 and name HN )) (( segid " A" and resid 252 and name HB1 )) 6.000 4.500 0.000 peak 1252 spectrum 1 weight 0.10000E+01 volume 0.92511E-03 ppm1 7.107 ppm2 2.737 CV 1 ASSI { 1253} (( segid " A" and resid 252 and name HN )) (( segid " A" and resid 250 and name HB2 )) 6.000 4.500 0.000 peak 1253 spectrum 1 weight 0.10000E+01 volume 0.42345E-03 ppm1 7.106 ppm2 2.431 CV 1 ASSI { 1254} (( segid " A" and resid 245 and name HN )) (( segid " A" and resid 244 and name HG2 )) 6.000 4.500 0.000 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.98653E-03 ppm1 8.406 ppm2 2.044 CV 1 ASSI { 1255} (( segid " A" and resid 252 and name HN )) (( segid " A" and resid 216 and name HB )) 6.000 4.500 0.000 peak 1255 spectrum 1 weight 0.10000E+01 volume 0.14626E-02 ppm1 7.109 ppm2 1.283 CV 1 ASSI { 1256} (( segid " A" and resid 245 and name HN )) ( segid " A" and resid 245 and name HG2%) 6.000 4.500 0.000 peak 1256 spectrum 1 weight 0.10000E+01 volume 0.13268E-02 ppm1 8.408 ppm2 1.209 CV 1 ASSI { 1257} (( segid " A" and resid 252 and name HN )) (( segid " A" and resid 240 and name HB1 )) 6.000 4.500 0.000 peak 1257 spectrum 1 weight 0.10000E+01 volume 0.18636E-02 ppm1 7.108 ppm2 0.752 CV 1 OR { 1257} (( segid " A" and resid 252 and name HN )) ( segid " A" and resid 241 and name HB% ) ASSI { 1258} (( segid " A" and resid 252 and name HN )) ( segid " A" and resid 216 and name HG2%) 6.000 4.500 0.000 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.74085E-03 ppm1 7.107 ppm2 0.351 CV 1 ASSI { 1259} (( segid " A" and resid 252 and name HN )) ( segid " A" and resid 240 and name HD2%) 6.000 4.500 0.000 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.10983E-02 ppm1 7.111 ppm2 0.057 CV 1 ASSI { 1261} (( segid " A" and resid 269 and name HN )) ( segid " A" and resid 232 and name HE% ) 6.000 4.500 0.000 peak 1261 spectrum 1 weight 0.10000E+01 volume 0.67905E-03 ppm1 7.330 ppm2 7.038 CV 1 ASSI { 1262} (( segid " A" and resid 186 and name HN )) (( segid " A" and resid 185 and name HA )) 6.000 4.500 0.000 peak 1262 spectrum 1 weight 0.10000E+01 volume 0.50547E-03 ppm1 8.970 ppm2 5.333 CV 1 ASSI { 1263} (( segid " A" and resid 269 and name HN )) (( segid " A" and resid 270 and name HA )) 6.000 4.500 0.000 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.55621E-03 ppm1 7.328 ppm2 4.917 CV 1 ASSI { 1264} (( segid " A" and resid 269 and name HN )) (( segid " A" and resid 269 and name HA )) 6.000 4.500 0.000 peak 1264 spectrum 1 weight 0.10000E+01 volume 0.30729E-02 ppm1 7.330 ppm2 4.560 CV 1 ASSI { 1265} (( segid " A" and resid 269 and name HN )) (( segid " A" and resid 268 and name HA )) 6.000 4.500 0.000 peak 1265 spectrum 1 weight 0.10000E+01 volume 0.15691E-02 ppm1 7.329 ppm2 4.198 CV 1 ASSI { 1266} (( segid " A" and resid 269 and name HN )) (( segid " A" and resid 268 and name HB1 )) 6.000 4.500 0.000 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.20658E-02 ppm1 7.329 ppm2 3.920 CV 1 ASSI { 1267} (( segid " A" and resid 269 and name HN )) (( segid " A" and resid 269 and name HB1 )) 6.000 4.500 0.000 peak 1267 spectrum 1 weight 0.10000E+01 volume 0.15385E-02 ppm1 7.328 ppm2 3.675 CV 1 ASSI { 1268} (( segid " A" and resid 269 and name HN )) (( segid " A" and resid 269 and name HB2 )) 6.000 4.500 0.000 peak 1268 spectrum 1 weight 0.10000E+01 volume 0.22283E-02 ppm1 7.330 ppm2 3.494 CV 1 ASSI { 1269} (( segid " A" and resid 269 and name HN )) (( segid " A" and resid 266 and name HA )) 6.000 4.500 0.000 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.65349E-03 ppm1 7.328 ppm2 2.370 CV 1 ASSI { 1270} (( segid " A" and resid 269 and name HN )) (( segid " A" and resid 270 and name HB1 )) 6.000 4.500 0.000 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.13566E-02 ppm1 7.329 ppm2 1.916 CV 1 ASSI { 1271} (( segid " A" and resid 186 and name HN )) ( segid " A" and resid 185 and name HG1%) 6.000 4.500 0.000 peak 1271 spectrum 1 weight 0.10000E+01 volume 0.52760E-03 ppm1 8.980 ppm2 0.958 CV 1 ASSI { 1272} (( segid " A" and resid 269 and name HN )) ( segid " A" and resid 282 and name HG1%) 6.000 4.500 0.000 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.10876E-02 ppm1 7.330 ppm2 0.949 CV 1 OR { 1272} (( segid " A" and resid 269 and name HN )) ( segid " A" and resid 282 and name HG2%) OR { 1272} (( segid " A" and resid 269 and name HN )) ( segid " A" and resid 267 and name HG1%) OR { 1272} (( segid " A" and resid 269 and name HN )) ( segid " A" and resid 267 and name HG2%) ASSI { 1273} (( segid " A" and resid 262 and name HN )) (( segid " A" and resid 259 and name HN )) 6.000 4.500 0.000 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.55926E-03 ppm1 6.797 ppm2 8.783 CV 1 ASSI { 1274} (( segid " A" and resid 268 and name HN )) (( segid " A" and resid 265 and name HN )) 6.000 4.500 0.000 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.41544E-03 ppm1 7.726 ppm2 8.304 CV 1 ASSI { 1275} (( segid " A" and resid 262 and name HN )) (( segid " A" and resid 264 and name HN )) 6.000 4.500 0.000 peak 1275 spectrum 1 weight 0.10000E+01 volume 0.41544E-03 ppm1 6.797 ppm2 7.375 CV 1 ASSI { 1276} (( segid " A" and resid 262 and name HN )) (( segid " A" and resid 262 and name HA )) 6.000 4.500 0.000 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.16167E-02 ppm1 6.796 ppm2 3.981 CV 1 ASSI { 1277} (( segid " A" and resid 262 and name HN )) (( segid " A" and resid 263 and name HB1 )) 6.000 4.500 0.000 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.80837E-03 ppm1 6.795 ppm2 3.784 CV 1 ASSI { 1278} (( segid " A" and resid 268 and name HN )) (( segid " A" and resid 269 and name HB1 )) 6.000 4.500 0.000 peak 1278 spectrum 1 weight 0.10000E+01 volume 0.38606E-03 ppm1 7.724 ppm2 3.688 CV 1 ASSI { 1279} (( segid " A" and resid 262 and name HN )) (( segid " A" and resid 262 and name HB1 )) 6.000 4.500 0.000 peak 1279 spectrum 1 weight 0.10000E+01 volume 0.15038E-02 ppm1 6.797 ppm2 3.467 CV 1 ASSI { 1280} (( segid " A" and resid 262 and name HN )) (( segid " A" and resid 262 and name HB2 )) 6.000 4.500 0.000 peak 1280 spectrum 1 weight 0.10000E+01 volume 0.10800E-02 ppm1 6.796 ppm2 2.842 CV 1 ASSI { 1281} (( segid " A" and resid 262 and name HN )) (( segid " A" and resid 258 and name HG1 )) 6.000 4.500 0.000 peak 1281 spectrum 1 weight 0.10000E+01 volume 0.67905E-03 ppm1 6.796 ppm2 2.182 CV 1 OR { 1281} (( segid " A" and resid 262 and name HN )) (( segid " A" and resid 258 and name HB1 )) ASSI { 1282} (( segid " A" and resid 262 and name HN )) (( segid " A" and resid 259 and name HB1 )) 6.000 4.500 0.000 peak 1282 spectrum 1 weight 0.10000E+01 volume 0.11109E-02 ppm1 6.798 ppm2 1.997 CV 1 ASSI { 1283} (( segid " A" and resid 262 and name HN )) (( segid " A" and resid 259 and name HB2 )) 6.000 4.500 0.000 peak 1283 spectrum 1 weight 0.10000E+01 volume 0.23568E-02 ppm1 6.796 ppm2 1.869 CV 1 ASSI { 1284} (( segid " A" and resid 262 and name HN )) ( segid " A" and resid 260 and name HB% ) 6.000 4.500 0.000 peak 1284 spectrum 1 weight 0.10000E+01 volume 0.44024E-03 ppm1 6.798 ppm2 1.423 CV 1 ASSI { 1285} (( segid " A" and resid 132 and name HN )) (( segid " A" and resid 160 and name HH )) 6.000 4.500 0.000 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.49479E-03 ppm1 8.069 ppm2 9.333 CV 1 ASSI { 1287} (( segid " A" and resid 132 and name HN )) ( segid " A" and resid 132 and name HD% ) 6.000 4.500 0.000 peak 1287 spectrum 1 weight 0.10000E+01 volume 0.29733E-02 ppm1 8.073 ppm2 7.926 CV 1 ASSI { 1289} (( segid " A" and resid 268 and name HN )) (( segid " A" and resid 269 and name HN )) 6.000 4.500 0.000 peak 1289 spectrum 1 weight 0.10000E+01 volume 0.27391E-02 ppm1 7.723 ppm2 7.330 CV 1 ASSI { 1290} (( segid " A" and resid 132 and name HN )) ( segid " A" and resid 135 and name HD% ) 6.000 4.500 0.000 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.43451E-03 ppm1 8.072 ppm2 7.272 CV 1 ASSI { 1291} (( segid " A" and resid 132 and name HN )) (( segid " A" and resid 132 and name HA )) 6.000 4.500 0.000 peak 1291 spectrum 1 weight 0.10000E+01 volume 0.16576E-02 ppm1 8.072 ppm2 4.720 CV 1 ASSI { 1292} (( segid " A" and resid 132 and name HN )) (( segid " A" and resid 131 and name HA )) 6.000 4.500 0.000 peak 1292 spectrum 1 weight 0.10000E+01 volume 0.81257E-03 ppm1 8.073 ppm2 4.183 CV 1 ASSI { 1293} (( segid " A" and resid 268 and name HN )) (( segid " A" and resid 268 and name HA )) 6.000 4.500 0.000 peak 1293 spectrum 1 weight 0.10000E+01 volume 0.55926E-02 ppm1 7.722 ppm2 4.197 CV 1 ASSI { 1294} (( segid " A" and resid 268 and name HN )) (( segid " A" and resid 268 and name HB1 )) 6.000 4.500 0.000 peak 1294 spectrum 1 weight 0.10000E+01 volume 0.74810E-02 ppm1 7.722 ppm2 3.919 CV 1 ASSI { 1295} (( segid " A" and resid 132 and name HN )) (( segid " A" and resid 129 and name HA )) 6.000 4.500 0.000 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.11063E-02 ppm1 8.073 ppm2 3.664 CV 1 ASSI { 1296} (( segid " A" and resid 132 and name HN )) (( segid " A" and resid 132 and name HB2 )) 6.000 4.500 0.000 peak 1296 spectrum 1 weight 0.10000E+01 volume 0.12227E-02 ppm1 8.073 ppm2 3.506 CV 1 ASSI { 1297} (( segid " A" and resid 268 and name HN )) (( segid " A" and resid 267 and name HA )) 6.000 4.500 0.000 peak 1297 spectrum 1 weight 0.10000E+01 volume 0.16316E-02 ppm1 7.722 ppm2 3.454 CV 1 ASSI { 1298} (( segid " A" and resid 132 and name HN )) (( segid " A" and resid 132 and name HB1 )) 6.000 4.500 0.000 peak 1298 spectrum 1 weight 0.10000E+01 volume 0.18334E-02 ppm1 8.073 ppm2 2.822 CV 1 ASSI { 1299} (( segid " A" and resid 268 and name HN )) (( segid " A" and resid 266 and name HA )) 6.000 4.500 0.000 peak 1299 spectrum 1 weight 0.10000E+01 volume 0.75725E-03 ppm1 7.721 ppm2 2.360 CV 1 ASSI { 1300} (( segid " A" and resid 268 and name HN )) (( segid " A" and resid 267 and name HB )) 6.000 4.500 0.000 peak 1300 spectrum 1 weight 0.10000E+01 volume 0.41353E-02 ppm1 7.722 ppm2 2.039 CV 1 ASSI { 1301} (( segid " A" and resid 268 and name HN )) (( segid " A" and resid 270 and name HB1 )) 6.000 4.500 0.000 peak 1301 spectrum 1 weight 0.10000E+01 volume 0.46465E-03 ppm1 7.722 ppm2 1.915 CV 1 ASSI { 1302} (( segid " A" and resid 132 and name HN )) ( segid " A" and resid 133 and name HB% ) 6.000 4.500 0.000 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.10785E-02 ppm1 8.073 ppm2 1.587 CV 1 ASSI { 1303} (( segid " A" and resid 132 and name HN )) ( segid " A" and resid 131 and name HB% ) 6.000 4.500 0.000 peak 1303 spectrum 1 weight 0.10000E+01 volume 0.22893E-02 ppm1 8.073 ppm2 1.416 CV 1 ASSI { 1304} (( segid " A" and resid 268 and name HN )) ( segid " A" and resid 266 and name HB% ) 6.000 4.500 0.000 peak 1304 spectrum 1 weight 0.10000E+01 volume 0.79616E-03 ppm1 7.721 ppm2 1.218 CV 1 ASSI { 1305} (( segid " A" and resid 268 and name HN )) ( segid " A" and resid 267 and name HG1%) 6.000 4.500 0.000 peak 1305 spectrum 1 weight 0.10000E+01 volume 0.50280E-02 ppm1 7.722 ppm2 0.949 CV 1 OR { 1305} (( segid " A" and resid 268 and name HN )) ( segid " A" and resid 267 and name HG2%) ASSI { 1306} (( segid " A" and resid 132 and name HN )) ( segid " A" and resid 138 and name HD1%) 6.000 4.500 0.000 peak 1306 spectrum 1 weight 0.10000E+01 volume 0.10003E-02 ppm1 8.076 ppm2 0.741 CV 1 ASSI { 1307} (( segid " A" and resid 132 and name HN )) ( segid " A" and resid 128 and name HG2%) 6.000 4.500 0.000 peak 1307 spectrum 1 weight 0.10000E+01 volume 0.61648E-03 ppm1 8.076 ppm2 0.511 CV 1 ASSI { 1309} (( segid " A" and resid 132 and name HN )) ( segid " A" and resid 132 and name HE% ) 6.000 4.500 0.000 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.47114E-03 ppm1 8.073 ppm2 6.865 CV 1 ASSI { 1310} (( segid " A" and resid 117 and name HN )) (( segid " A" and resid 185 and name HA )) 6.000 4.500 0.000 peak 1310 spectrum 1 weight 0.10000E+01 volume 0.55316E-03 ppm1 9.101 ppm2 5.332 CV 1 ASSI { 1311} (( segid " A" and resid 117 and name HN )) (( segid " A" and resid 117 and name HA1 )) 6.000 4.500 0.000 peak 1311 spectrum 1 weight 0.10000E+01 volume 0.97737E-03 ppm1 9.085 ppm2 4.764 CV 1 ASSI { 1312} (( segid " A" and resid 117 and name HN )) (( segid " A" and resid 116 and name HA )) 6.000 4.500 0.000 peak 1312 spectrum 1 weight 0.10000E+01 volume 0.24671E-02 ppm1 9.090 ppm2 4.570 CV 1 ASSI { 1313} (( segid " A" and resid 117 and name HN )) (( segid " A" and resid 117 and name HA2 )) 6.000 4.500 0.000 peak 1313 spectrum 1 weight 0.10000E+01 volume 0.78129E-03 ppm1 9.085 ppm2 3.505 CV 1 ASSI { 1314} (( segid " A" and resid 117 and name HN )) (( segid " A" and resid 116 and name HB )) 6.000 4.500 0.000 peak 1314 spectrum 1 weight 0.10000E+01 volume 0.78434E-03 ppm1 9.090 ppm2 1.557 CV 1 ASSI { 1315} (( segid " A" and resid 117 and name HN )) ( segid " A" and resid 185 and name HG2%) 6.000 4.500 0.000 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.57223E-03 ppm1 9.085 ppm2 0.956 CV 1 OR { 1315} (( segid " A" and resid 117 and name HN )) ( segid " A" and resid 185 and name HG1%) ASSI { 1316} (( segid " A" and resid 117 and name HN )) ( segid " A" and resid 116 and name HG2%) 6.000 4.500 0.000 peak 1316 spectrum 1 weight 0.10000E+01 volume 0.10018E-02 ppm1 9.094 ppm2 0.694 CV 1 ASSI { 1317} (( segid " A" and resid 117 and name HN )) ( segid " A" and resid 116 and name HG1%) 6.000 4.500 0.000 peak 1317 spectrum 1 weight 0.10000E+01 volume 0.63022E-03 ppm1 9.090 ppm2 0.274 CV 1 ASSI { 1318} (( segid " A" and resid 118 and name HN )) (( segid " A" and resid 117 and name HN )) 6.000 4.500 0.000 peak 1318 spectrum 1 weight 0.10000E+01 volume 0.43871E-03 ppm1 8.284 ppm2 9.070 CV 1 ASSI { 1320} (( segid " A" and resid 118 and name HN )) (( segid " A" and resid 119 and name HN )) 6.000 4.500 0.000 peak 1320 spectrum 1 weight 0.10000E+01 volume 0.50700E-03 ppm1 8.284 ppm2 8.111 CV 1 ASSI { 1322} (( segid " A" and resid 227 and name HN )) (( segid " A" and resid 224 and name HA )) 6.000 4.500 0.000 peak 1322 spectrum 1 weight 0.10000E+01 volume 0.18506E-02 ppm1 7.894 ppm2 4.337 CV 1 ASSI { 1323} (( segid " A" and resid 227 and name HN )) (( segid " A" and resid 227 and name HA )) 6.000 4.500 0.000 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.35539E-02 ppm1 7.893 ppm2 4.180 CV 1 ASSI { 1325} (( segid " A" and resid 227 and name HN )) (( segid " A" and resid 227 and name HB2 )) 6.000 4.500 0.000 peak 1325 spectrum 1 weight 0.10000E+01 volume 0.32854E-02 ppm1 7.893 ppm2 3.998 CV 1 ASSI { 1326} (( segid " A" and resid 227 and name HN )) (( segid " A" and resid 226 and name HA )) 6.000 4.500 0.000 peak 1326 spectrum 1 weight 0.10000E+01 volume 0.81257E-03 ppm1 7.898 ppm2 3.641 CV 1 ASSI { 1327} (( segid " A" and resid 227 and name HN )) (( segid " A" and resid 226 and name HE2 )) 6.000 4.500 0.000 peak 1327 spectrum 1 weight 0.10000E+01 volume 0.49631E-03 ppm1 7.897 ppm2 2.815 CV 1 OR { 1327} (( segid " A" and resid 227 and name HN )) (( segid " A" and resid 229 and name HB2 )) OR { 1327} (( segid " A" and resid 227 and name HN )) (( segid " A" and resid 226 and name HE1 )) ASSI { 1328} (( segid " A" and resid 227 and name HN )) (( segid " A" and resid 226 and name HD1 )) 6.000 4.500 0.000 peak 1328 spectrum 1 weight 0.10000E+01 volume 0.92396E-03 ppm1 7.896 ppm2 1.613 CV 1 OR { 1328} (( segid " A" and resid 227 and name HN )) (( segid " A" and resid 226 and name HD2 )) ASSI { 1329} (( segid " A" and resid 227 and name HN )) (( segid " A" and resid 226 and name HG2 )) 6.000 4.500 0.000 peak 1329 spectrum 1 weight 0.10000E+01 volume 0.56460E-03 ppm1 7.893 ppm2 1.307 CV 1 ASSI { 1330} (( segid " A" and resid 227 and name HN )) ( segid " A" and resid 228 and name HG1%) 6.000 4.500 0.000 peak 1330 spectrum 1 weight 0.10000E+01 volume 0.55392E-03 ppm1 7.893 ppm2 0.949 CV 1 ASSI { 1331} (( segid " A" and resid 227 and name HN )) ( segid " A" and resid 225 and name HG2%) 6.000 4.500 0.000 peak 1331 spectrum 1 weight 0.10000E+01 volume 0.58215E-03 ppm1 7.899 ppm2 0.583 CV 1 OR { 1331} (( segid " A" and resid 227 and name HN )) ( segid " A" and resid 225 and name HD1%) ASSI { 1332} (( segid " A" and resid 118 and name HN )) (( segid " A" and resid 118 and name HB2 )) 6.000 4.500 0.000 peak 1332 spectrum 1 weight 0.10000E+01 volume 0.47877E-03 ppm1 8.298 ppm2 4.336 CV 1 ASSI { 1333} (( segid " A" and resid 118 and name HN )) (( segid " A" and resid 118 and name HA )) 6.000 4.500 0.000 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.21913E-02 ppm1 8.291 ppm2 3.975 CV 1 ASSI { 1334} (( segid " A" and resid 118 and name HN )) (( segid " A" and resid 117 and name HA2 )) 6.000 4.500 0.000 peak 1334 spectrum 1 weight 0.10000E+01 volume 0.11338E-02 ppm1 8.292 ppm2 3.503 CV 1 ASSI { 1335} (( segid " A" and resid 215 and name HN )) (( segid " A" and resid 214 and name HN )) 6.000 4.500 0.000 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.51234E-03 ppm1 8.224 ppm2 8.901 CV 1 ASSI { 1337} (( segid " A" and resid 200 and name HE21)) (( segid " A" and resid 200 and name HE22)) 6.000 4.500 0.000 peak 1337 spectrum 1 weight 0.10000E+01 volume 0.14252E-01 ppm1 6.666 ppm2 7.627 CV 1 ASSI { 1339} (( segid " A" and resid 215 and name HN )) (( segid " A" and resid 252 and name HA )) 6.000 4.500 0.000 peak 1339 spectrum 1 weight 0.10000E+01 volume 0.54972E-03 ppm1 8.218 ppm2 5.570 CV 1 ASSI { 1340} (( segid " A" and resid 215 and name HN )) (( segid " A" and resid 214 and name HA )) 6.000 4.500 0.000 peak 1340 spectrum 1 weight 0.10000E+01 volume 0.25407E-02 ppm1 8.225 ppm2 5.071 CV 1 ASSI { 1341} (( segid " A" and resid 215 and name HN )) (( segid " A" and resid 215 and name HB1 )) 6.000 4.500 0.000 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.76488E-03 ppm1 8.224 ppm2 4.434 CV 1 ASSI { 1342} (( segid " A" and resid 215 and name HN )) (( segid " A" and resid 215 and name HB2 )) 6.000 4.500 0.000 peak 1342 spectrum 1 weight 0.10000E+01 volume 0.96974E-03 ppm1 8.223 ppm2 4.162 CV 1 ASSI { 1343} (( segid " A" and resid 215 and name HN )) (( segid " A" and resid 215 and name HA )) 6.000 4.500 0.000 peak 1343 spectrum 1 weight 0.10000E+01 volume 0.53675E-02 ppm1 8.224 ppm2 3.831 CV 1 ASSI { 1344} (( segid " A" and resid 200 and name HE22)) (( segid " A" and resid 199 and name HB1 )) 6.000 4.500 0.000 peak 1344 spectrum 1 weight 0.10000E+01 volume 0.43108E-03 ppm1 7.625 ppm2 2.632 CV 1 ASSI { 1345} (( segid " A" and resid 200 and name HE22)) (( segid " A" and resid 200 and name HG1 )) 6.000 4.500 0.000 peak 1345 spectrum 1 weight 0.10000E+01 volume 0.12227E-02 ppm1 7.628 ppm2 2.523 CV 1 ASSI { 1346} (( segid " A" and resid 200 and name HE21)) (( segid " A" and resid 200 and name HG1 )) 6.000 4.500 0.000 peak 1346 spectrum 1 weight 0.10000E+01 volume 0.61877E-03 ppm1 6.663 ppm2 2.525 CV 1 ASSI { 1347} (( segid " A" and resid 200 and name HE22)) (( segid " A" and resid 200 and name HG2 )) 6.000 4.500 0.000 peak 1347 spectrum 1 weight 0.10000E+01 volume 0.14584E-02 ppm1 7.626 ppm2 2.313 CV 1 ASSI { 1348} (( segid " A" and resid 200 and name HE21)) (( segid " A" and resid 200 and name HG2 )) 6.000 4.500 0.000 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.94533E-03 ppm1 6.664 ppm2 2.319 CV 1 ASSI { 1349} (( segid " A" and resid 200 and name HE22)) (( segid " A" and resid 200 and name HB2 )) 6.000 4.500 0.000 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.50547E-03 ppm1 7.624 ppm2 2.172 CV 1 ASSI { 1350} (( segid " A" and resid 215 and name HN )) ( segid " A" and resid 214 and name HB% ) 6.000 4.500 0.000 peak 1350 spectrum 1 weight 0.10000E+01 volume 0.40628E-02 ppm1 8.224 ppm2 1.248 CV 1 ASSI { 1351} (( segid " A" and resid 215 and name HN )) ( segid " A" and resid 216 and name HG1%) 6.000 4.500 0.000 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.42879E-03 ppm1 8.222 ppm2 0.631 CV 1 OR { 1351} (( segid " A" and resid 215 and name HN )) ( segid " A" and resid 165 and name HB% ) ASSI { 1358} (( segid " A" and resid 247 and name HN )) (( segid " A" and resid 246 and name HN )) 6.000 4.500 0.000 peak 1358 spectrum 1 weight 0.10000E+01 volume 0.12593E-02 ppm1 8.387 ppm2 7.611 CV 1 ASSI { 1359} (( segid " A" and resid 140 and name HN )) (( segid " A" and resid 160 and name HA )) 6.000 4.500 0.000 peak 1359 spectrum 1 weight 0.10000E+01 volume 0.61877E-03 ppm1 7.690 ppm2 5.062 CV 1 ASSI { 1360} (( segid " A" and resid 237 and name HN )) (( segid " A" and resid 256 and name HA )) 6.000 4.500 0.000 peak 1360 spectrum 1 weight 0.10000E+01 volume 0.94533E-03 ppm1 7.434 ppm2 4.997 CV 1 ASSI { 1361} (( segid " A" and resid 237 and name HN )) (( segid " A" and resid 237 and name HA )) 6.000 4.500 0.000 peak 1361 spectrum 1 weight 0.10000E+01 volume 0.16557E-02 ppm1 7.425 ppm2 4.472 CV 1 ASSI { 1362} (( segid " A" and resid 140 and name HN )) (( segid " A" and resid 140 and name HA )) 6.000 4.500 0.000 peak 1362 spectrum 1 weight 0.10000E+01 volume 0.18830E-02 ppm1 7.688 ppm2 4.455 CV 1 ASSI { 1363} (( segid " A" and resid 247 and name HN )) (( segid " A" and resid 246 and name HA )) 6.000 4.500 0.000 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.14367E-02 ppm1 8.389 ppm2 4.402 CV 1 ASSI { 1364} (( segid " A" and resid 140 and name HN )) (( segid " A" and resid 139 and name HA )) 6.000 4.500 0.000 peak 1364 spectrum 1 weight 0.10000E+01 volume 0.12517E-02 ppm1 7.688 ppm2 4.290 CV 1 ASSI { 1365} (( segid " A" and resid 237 and name HN )) (( segid " A" and resid 236 and name HA )) 6.000 4.500 0.000 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.18830E-02 ppm1 7.425 ppm2 4.274 CV 1 ASSI { 1366} (( segid " A" and resid 247 and name HN )) (( segid " A" and resid 247 and name HA1 )) 6.000 4.500 0.000 peak 1366 spectrum 1 weight 0.10000E+01 volume 0.27349E-02 ppm1 8.390 ppm2 4.204 CV 1 ASSI { 1367} (( segid " A" and resid 237 and name HN )) (( segid " A" and resid 235 and name HA )) 6.000 4.500 0.000 peak 1367 spectrum 1 weight 0.10000E+01 volume 0.12181E-02 ppm1 7.423 ppm2 4.028 CV 1 ASSI { 1368} (( segid " A" and resid 247 and name HN )) (( segid " A" and resid 247 and name HA2 )) 6.000 4.500 0.000 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.24701E-02 ppm1 8.391 ppm2 3.745 CV 1 ASSI { 1369} (( segid " A" and resid 140 and name HN )) (( segid " A" and resid 140 and name HB1 )) 6.000 4.500 0.000 peak 1369 spectrum 1 weight 0.10000E+01 volume 0.25808E-02 ppm1 7.687 ppm2 3.719 CV 1 ASSI { 1370} (( segid " A" and resid 237 and name HN )) (( segid " A" and resid 256 and name HB1 )) 6.000 4.500 0.000 peak 1370 spectrum 1 weight 0.10000E+01 volume 0.17793E-02 ppm1 7.425 ppm2 2.153 CV 1 OR { 1370} (( segid " A" and resid 237 and name HN )) (( segid " A" and resid 256 and name HG2 )) ASSI { 1371} (( segid " A" and resid 140 and name HN )) (( segid " A" and resid 159 and name HB2 )) 6.000 4.500 0.000 peak 1371 spectrum 1 weight 0.10000E+01 volume 0.24980E-02 ppm1 7.688 ppm2 2.009 CV 1 OR { 1371} (( segid " A" and resid 140 and name HN )) (( segid " A" and resid 159 and name HG1 )) ASSI { 1372} (( segid " A" and resid 237 and name HN )) (( segid " A" and resid 235 and name HG12)) 6.000 4.500 0.000 peak 1372 spectrum 1 weight 0.10000E+01 volume 0.44634E-03 ppm1 7.434 ppm2 1.895 CV 1 ASSI { 1373} (( segid " A" and resid 237 and name HN )) (( segid " A" and resid 236 and name HB1 )) 6.000 4.500 0.000 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.27219E-02 ppm1 7.424 ppm2 1.679 CV 1 ASSI { 1374} (( segid " A" and resid 140 and name HN )) (( segid " A" and resid 159 and name HB1 )) 6.000 4.500 0.000 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.15733E-02 ppm1 7.688 ppm2 1.635 CV 1 ASSI { 1375} (( segid " A" and resid 140 and name HN )) (( segid " A" and resid 139 and name HB2 )) 6.000 4.500 0.000 peak 1375 spectrum 1 weight 0.10000E+01 volume 0.28520E-02 ppm1 7.688 ppm2 1.501 CV 1 ASSI { 1376} (( segid " A" and resid 237 and name HN )) (( segid " A" and resid 236 and name HB2 )) 6.000 4.500 0.000 peak 1376 spectrum 1 weight 0.10000E+01 volume 0.22924E-02 ppm1 7.425 ppm2 1.467 CV 1 ASSI { 1377} (( segid " A" and resid 140 and name HN )) (( segid " A" and resid 139 and name HB1 )) 6.000 4.500 0.000 peak 1377 spectrum 1 weight 0.10000E+01 volume 0.25499E-02 ppm1 7.688 ppm2 1.384 CV 1 ASSI { 1378} (( segid " A" and resid 247 and name HN )) (( segid " A" and resid 248 and name HG1 )) 6.000 4.500 0.000 peak 1378 spectrum 1 weight 0.10000E+01 volume 0.67714E-03 ppm1 8.389 ppm2 1.338 CV 1 OR { 1378} (( segid " A" and resid 247 and name HN )) (( segid " A" and resid 248 and name HG2 )) ASSI { 1379} (( segid " A" and resid 237 and name HN )) (( segid " A" and resid 236 and name HG2 )) 6.000 4.500 0.000 peak 1379 spectrum 1 weight 0.10000E+01 volume 0.13672E-02 ppm1 7.424 ppm2 1.318 CV 1 OR { 1379} (( segid " A" and resid 237 and name HN )) (( segid " A" and resid 236 and name HG1 )) ASSI { 1380} (( segid " A" and resid 247 and name HN )) ( segid " A" and resid 246 and name HG2%) 6.000 4.500 0.000 peak 1380 spectrum 1 weight 0.10000E+01 volume 0.97890E-03 ppm1 8.389 ppm2 1.172 CV 1 ASSI { 1381} (( segid " A" and resid 140 and name HN )) ( segid " A" and resid 141 and name HD1%) 6.000 4.500 0.000 peak 1381 spectrum 1 weight 0.10000E+01 volume 0.60046E-03 ppm1 7.692 ppm2 0.738 CV 1 OR { 1381} (( segid " A" and resid 140 and name HN )) ( segid " A" and resid 138 and name HD1%) ASSI { 1382} (( segid " A" and resid 237 and name HN )) ( segid " A" and resid 235 and name HG2%) 6.000 4.500 0.000 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.51119E-02 ppm1 7.424 ppm2 0.548 CV 1 ASSI { 1383} (( segid " A" and resid 140 and name HN )) ( segid " A" and resid 138 and name HG2%) 6.000 4.500 0.000 peak 1383 spectrum 1 weight 0.10000E+01 volume 0.35627E-02 ppm1 7.689 ppm2 0.511 CV 1 ASSI { 1384} (( segid " A" and resid 215 and name HN )) ( segid " A" and resid 216 and name HG2%) 6.000 4.500 0.000 peak 1384 spectrum 1 weight 0.10000E+01 volume 0.11521E-02 ppm1 8.223 ppm2 0.352 CV 1 OR { 1384} (( segid " A" and resid 215 and name HN )) ( segid " A" and resid 213 and name HG2%) ASSI { 1385} (( segid " A" and resid 237 and name HN )) ( segid " A" and resid 255 and name HG2%) 6.000 4.500 0.000 peak 1385 spectrum 1 weight 0.10000E+01 volume 0.73360E-03 ppm1 7.420 ppm2 0.196 CV 1 ASSI { 1386} (( segid " A" and resid 140 and name HN )) ( segid " A" and resid 158 and name HG1%) 6.000 4.500 0.000 peak 1386 spectrum 1 weight 0.10000E+01 volume 0.38225E-03 ppm1 7.688 ppm2 0.109 CV 1 ASSI { 1389} (( segid " A" and resid 283 and name HN )) (( segid " A" and resid 282 and name HA )) 6.000 4.500 0.000 peak 1389 spectrum 1 weight 0.10000E+01 volume 0.54629E-02 ppm1 8.989 ppm2 5.358 CV 1 ASSI { 1390} (( segid " A" and resid 283 and name HN )) (( segid " A" and resid 211 and name HA )) 6.000 4.500 0.000 peak 1390 spectrum 1 weight 0.10000E+01 volume 0.41582E-03 ppm1 8.999 ppm2 5.043 CV 1 ASSI { 1391} (( segid " A" and resid 283 and name HN )) (( segid " A" and resid 212 and name HA )) 6.000 4.500 0.000 peak 1391 spectrum 1 weight 0.10000E+01 volume 0.46045E-03 ppm1 8.988 ppm2 4.722 CV 1 ASSI { 1392} (( segid " A" and resid 283 and name HN )) (( segid " A" and resid 283 and name HA1 )) 6.000 4.500 0.000 peak 1392 spectrum 1 weight 0.10000E+01 volume 0.24640E-02 ppm1 8.989 ppm2 4.550 CV 1 ASSI { 1393} (( segid " A" and resid 283 and name HN )) (( segid " A" and resid 283 and name HA2 )) 6.000 4.500 0.000 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.19185E-02 ppm1 8.989 ppm2 4.003 CV 1 ASSI { 1394} (( segid " A" and resid 283 and name HN )) (( segid " A" and resid 211 and name HB )) 6.000 4.500 0.000 peak 1394 spectrum 1 weight 0.10000E+01 volume 0.65425E-03 ppm1 8.987 ppm2 1.959 CV 1 ASSI { 1395} (( segid " A" and resid 283 and name HN )) (( segid " A" and resid 282 and name HB )) 6.000 4.500 0.000 peak 1395 spectrum 1 weight 0.10000E+01 volume 0.79960E-03 ppm1 8.991 ppm2 1.751 CV 1 ASSI { 1396} (( segid " A" and resid 283 and name HN )) ( segid " A" and resid 282 and name HG2%) 6.000 4.500 0.000 peak 1396 spectrum 1 weight 0.10000E+01 volume 0.69278E-02 ppm1 8.989 ppm2 0.967 CV 1 OR { 1396} (( segid " A" and resid 283 and name HN )) ( segid " A" and resid 282 and name HG1%) OR { 1396} (( segid " A" and resid 283 and name HN )) ( segid " A" and resid 168 and name HD2%) ASSI { 1397} (( segid " A" and resid 283 and name HN )) ( segid " A" and resid 211 and name HD1%) 6.000 4.500 0.000 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.46427E-03 ppm1 8.989 ppm2 0.716 CV 1 ASSI { 1398} (( segid " A" and resid 172 and name HE22)) (( segid " A" and resid 282 and name HN )) 6.000 4.500 0.000 peak 1398 spectrum 1 weight 0.10000E+01 volume 0.56994E-03 ppm1 6.838 ppm2 8.666 CV 1 ASSI { 1399} (( segid " A" and resid 172 and name HE22)) (( segid " A" and resid 172 and name HE21)) 6.000 4.500 0.000 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.59054E-02 ppm1 6.836 ppm2 7.740 CV 1 ASSI { 1401} (( segid " A" and resid 172 and name HE21)) (( segid " A" and resid 271 and name HD22)) 6.000 4.500 0.000 peak 1401 spectrum 1 weight 0.10000E+01 volume 0.56460E-03 ppm1 7.739 ppm2 6.517 CV 1 ASSI { 1402} (( segid " A" and resid 172 and name HE22)) (( segid " A" and resid 271 and name HD22)) 6.000 4.500 0.000 peak 1402 spectrum 1 weight 0.10000E+01 volume 0.78129E-03 ppm1 6.834 ppm2 6.513 CV 1 ASSI { 1403} (( segid " A" and resid 172 and name HE21)) (( segid " A" and resid 172 and name HA )) 6.000 4.500 0.000 peak 1403 spectrum 1 weight 0.10000E+01 volume 0.44939E-03 ppm1 7.741 ppm2 4.430 CV 1 ASSI { 1404} (( segid " A" and resid 172 and name HE21)) (( segid " A" and resid 172 and name HG2 )) 6.000 4.500 0.000 peak 1404 spectrum 1 weight 0.10000E+01 volume 0.14626E-02 ppm1 7.739 ppm2 2.742 CV 1 ASSI { 1405} (( segid " A" and resid 172 and name HE22)) (( segid " A" and resid 172 and name HG2 )) 6.000 4.500 0.000 peak 1405 spectrum 1 weight 0.10000E+01 volume 0.11155E-02 ppm1 6.835 ppm2 2.750 CV 1 ASSI { 1406} (( segid " A" and resid 172 and name HE21)) (( segid " A" and resid 172 and name HG1 )) 6.000 4.500 0.000 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.12837E-02 ppm1 7.738 ppm2 2.375 CV 1 ASSI { 1407} (( segid " A" and resid 172 and name HE22)) (( segid " A" and resid 172 and name HG1 )) 6.000 4.500 0.000 peak 1407 spectrum 1 weight 0.10000E+01 volume 0.11307E-02 ppm1 6.835 ppm2 2.375 CV 1 ASSI { 1408} (( segid " A" and resid 283 and name HN )) (( segid " A" and resid 212 and name HB1 )) 6.000 4.500 0.000 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.54362E-03 ppm1 8.995 ppm2 2.292 CV 1 ASSI { 1409} (( segid " A" and resid 172 and name HE21)) (( segid " A" and resid 172 and name HB2 )) 6.000 4.500 0.000 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.74199E-03 ppm1 7.741 ppm2 1.720 CV 1 OR { 1409} (( segid " A" and resid 172 and name HE21)) (( segid " A" and resid 281 and name HB1 )) ASSI { 1410} (( segid " A" and resid 172 and name HE22)) (( segid " A" and resid 172 and name HB2 )) 6.000 4.500 0.000 peak 1410 spectrum 1 weight 0.10000E+01 volume 0.52073E-03 ppm1 6.835 ppm2 1.736 CV 1 OR { 1410} (( segid " A" and resid 172 and name HE22)) (( segid " A" and resid 281 and name HB1 )) ASSI { 1411} (( segid " A" and resid 172 and name HE21)) (( segid " A" and resid 281 and name HG1 )) 6.000 4.500 0.000 peak 1411 spectrum 1 weight 0.10000E+01 volume 0.51692E-03 ppm1 7.738 ppm2 1.520 CV 1 OR { 1411} (( segid " A" and resid 172 and name HE21)) (( segid " A" and resid 168 and name HB1 )) ASSI { 1412} (( segid " A" and resid 172 and name HE22)) ( segid " A" and resid 168 and name HD2%) 6.000 4.500 0.000 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.81371E-03 ppm1 6.839 ppm2 0.963 CV 1 OR { 1412} (( segid " A" and resid 172 and name HE22)) (( segid " A" and resid 281 and name HG2 )) OR { 1412} (( segid " A" and resid 172 and name HE22)) ( segid " A" and resid 282 and name HG1%) ASSI { 1413} (( segid " A" and resid 172 and name HE21)) ( segid " A" and resid 168 and name HD1%) 6.000 4.500 0.000 peak 1413 spectrum 1 weight 0.10000E+01 volume 0.11170E-02 ppm1 7.741 ppm2 0.879 CV 1 OR { 1413} (( segid " A" and resid 172 and name HE21)) ( segid " A" and resid 176 and name HG2%) ASSI { 1414} (( segid " A" and resid 172 and name HE22)) ( segid " A" and resid 168 and name HD1%) 6.000 4.500 0.000 peak 1414 spectrum 1 weight 0.10000E+01 volume 0.10785E-02 ppm1 6.835 ppm2 0.882 CV 1 ASSI { 1415} (( segid " A" and resid 283 and name HN )) ( segid " A" and resid 213 and name HG1%) 6.000 4.500 0.000 peak 1415 spectrum 1 weight 0.10000E+01 volume 0.42612E-03 ppm1 8.989 ppm2 0.336 CV 1 ASSI { 1416} (( segid " A" and resid 278 and name HE22)) (( segid " A" and resid 217 and name HN )) 6.000 4.500 0.000 peak 1416 spectrum 1 weight 0.10000E+01 volume 0.40438E-03 ppm1 6.707 ppm2 8.891 CV 1 ASSI { 1417} (( segid " A" and resid 278 and name HE21)) (( segid " A" and resid 218 and name HN )) 6.000 4.500 0.000 peak 1417 spectrum 1 weight 0.10000E+01 volume 0.48487E-03 ppm1 6.886 ppm2 8.049 CV 1 ASSI { 1418} (( segid " A" and resid 278 and name HE22)) (( segid " A" and resid 218 and name HN )) 6.000 4.500 0.000 peak 1418 spectrum 1 weight 0.10000E+01 volume 0.50929E-03 ppm1 6.703 ppm2 8.052 CV 1 OR { 1418} (( segid " A" and resid 278 and name HE22)) (( segid " A" and resid 216 and name HN )) ASSI { 1419} (( segid " A" and resid 232 and name HN )) (( segid " A" and resid 233 and name HN )) 6.000 4.500 0.000 peak 1419 spectrum 1 weight 0.10000E+01 volume 0.29516E-02 ppm1 7.067 ppm2 7.585 CV 1 ASSI { 1421} (( segid " A" and resid 232 and name HN )) ( segid " A" and resid 232 and name HD% ) 6.000 4.500 0.000 peak 1421 spectrum 1 weight 0.10000E+01 volume 0.40399E-02 ppm1 7.066 ppm2 7.321 CV 1 ASSI { 1422} (( segid " A" and resid 278 and name HE22)) (( segid " A" and resid 278 and name HE21)) 6.000 4.500 0.000 peak 1422 spectrum 1 weight 0.10000E+01 volume 0.14355E-01 ppm1 6.707 ppm2 6.890 CV 1 ASSI { 1424} (( segid " A" and resid 232 and name HN )) (( segid " A" and resid 230 and name HA )) 6.000 4.500 0.000 peak 1424 spectrum 1 weight 0.10000E+01 volume 0.86025E-03 ppm1 7.066 ppm2 5.015 CV 1 ASSI { 1425} (( segid " A" and resid 232 and name HN )) (( segid " A" and resid 232 and name HA )) 6.000 4.500 0.000 peak 1425 spectrum 1 weight 0.10000E+01 volume 0.24518E-02 ppm1 7.066 ppm2 4.218 CV 1 ASSI { 1426} (( segid " A" and resid 232 and name HN )) (( segid " A" and resid 231 and name HA )) 6.000 4.500 0.000 peak 1426 spectrum 1 weight 0.10000E+01 volume 0.12993E-02 ppm1 7.067 ppm2 3.853 CV 1 ASSI { 1427} (( segid " A" and resid 278 and name HE21)) (( segid " A" and resid 217 and name HA )) 6.000 4.500 0.000 peak 1427 spectrum 1 weight 0.10000E+01 volume 0.16793E-02 ppm1 6.891 ppm2 3.849 CV 1 ASSI { 1428} (( segid " A" and resid 278 and name HE22)) (( segid " A" and resid 217 and name HA )) 6.000 4.500 0.000 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.14325E-02 ppm1 6.708 ppm2 3.847 CV 1 ASSI { 1429} (( segid " A" and resid 232 and name HN )) (( segid " A" and resid 232 and name HB1 )) 6.000 4.500 0.000 peak 1429 spectrum 1 weight 0.10000E+01 volume 0.17594E-02 ppm1 7.064 ppm2 3.410 CV 1 ASSI { 1430} (( segid " A" and resid 232 and name HN )) (( segid " A" and resid 232 and name HB2 )) 6.000 4.500 0.000 peak 1430 spectrum 1 weight 0.10000E+01 volume 0.24549E-02 ppm1 7.067 ppm2 2.687 CV 1 ASSI { 1431} (( segid " A" and resid 278 and name HE21)) (( segid " A" and resid 278 and name HG1 )) 6.000 4.500 0.000 peak 1431 spectrum 1 weight 0.10000E+01 volume 0.11857E-02 ppm1 6.891 ppm2 2.220 CV 1 ASSI { 1432} (( segid " A" and resid 278 and name HE22)) (( segid " A" and resid 278 and name HG1 )) 6.000 4.500 0.000 peak 1432 spectrum 1 weight 0.10000E+01 volume 0.59207E-03 ppm1 6.710 ppm2 2.225 CV 1 ASSI { 1433} (( segid " A" and resid 278 and name HE21)) (( segid " A" and resid 278 and name HB2 )) 6.000 4.500 0.000 peak 1433 spectrum 1 weight 0.10000E+01 volume 0.15168E-02 ppm1 6.892 ppm2 2.109 CV 1 ASSI { 1434} (( segid " A" and resid 278 and name HE22)) (( segid " A" and resid 278 and name HB2 )) 6.000 4.500 0.000 peak 1434 spectrum 1 weight 0.10000E+01 volume 0.63556E-03 ppm1 6.708 ppm2 2.107 CV 1 ASSI { 1435} (( segid " A" and resid 278 and name HE21)) (( segid " A" and resid 278 and name HB1 )) 6.000 4.500 0.000 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.13283E-02 ppm1 6.891 ppm2 1.925 CV 1 ASSI { 1436} (( segid " A" and resid 278 and name HE22)) (( segid " A" and resid 278 and name HB1 )) 6.000 4.500 0.000 peak 1436 spectrum 1 weight 0.10000E+01 volume 0.63937E-03 ppm1 6.707 ppm2 1.926 CV 1 ASSI { 1437} (( segid " A" and resid 232 and name HN )) ( segid " A" and resid 231 and name HB% ) 6.000 4.500 0.000 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.22893E-02 ppm1 7.066 ppm2 0.908 CV 1 ASSI { 1439} (( segid " A" and resid 246 and name HN )) (( segid " A" and resid 248 and name HN )) 6.000 4.500 0.000 peak 1439 spectrum 1 weight 0.10000E+01 volume 0.42460E-03 ppm1 7.603 ppm2 7.913 CV 1 ASSI { 1440} (( segid " A" and resid 246 and name HN )) (( segid " A" and resid 246 and name HA )) 6.000 4.500 0.000 peak 1440 spectrum 1 weight 0.10000E+01 volume 0.17964E-02 ppm1 7.607 ppm2 4.413 CV 1 ASSI { 1441} (( segid " A" and resid 246 and name HN )) (( segid " A" and resid 246 and name HB )) 6.000 4.500 0.000 peak 1441 spectrum 1 weight 0.10000E+01 volume 0.26296E-02 ppm1 7.602 ppm2 4.237 CV 1 ASSI { 1442} (( segid " A" and resid 149 and name HN )) (( segid " A" and resid 149 and name HA )) 6.000 4.500 0.000 peak 1442 spectrum 1 weight 0.10000E+01 volume 0.64662E-03 ppm1 7.706 ppm2 4.074 CV 1 ASSI { 1443} (( segid " A" and resid 149 and name HN )) (( segid " A" and resid 148 and name HB )) 6.000 4.500 0.000 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.79197E-03 ppm1 7.710 ppm2 2.213 CV 1 ASSI { 1444} (( segid " A" and resid 246 and name HN )) ( segid " A" and resid 246 and name HG2%) 6.000 4.500 0.000 peak 1444 spectrum 1 weight 0.10000E+01 volume 0.28173E-02 ppm1 7.607 ppm2 1.174 CV 1 ASSI { 1445} (( segid " A" and resid 149 and name HN )) ( segid " A" and resid 149 and name HG2%) 6.000 4.500 0.000 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.10205E-02 ppm1 7.710 ppm2 1.081 CV 1 ASSI { 1446} (( segid " A" and resid 149 and name HN )) ( segid " A" and resid 148 and name HG2%) 6.000 4.500 0.000 peak 1446 spectrum 1 weight 0.10000E+01 volume 0.53065E-03 ppm1 7.710 ppm2 0.874 CV 1 ASSI { 1448} (( segid " A" and resid 233 and name HN )) ( segid " A" and resid 232 and name HD% ) 6.000 4.500 0.000 peak 1448 spectrum 1 weight 0.10000E+01 volume 0.11109E-02 ppm1 7.584 ppm2 7.321 CV 1 ASSI { 1450} (( segid " A" and resid 233 and name HN )) ( segid " A" and resid 257 and name HE% ) 6.000 4.500 0.000 peak 1450 spectrum 1 weight 0.10000E+01 volume 0.11231E-02 ppm1 7.580 ppm2 6.626 CV 1 ASSI { 1451} (( segid " A" and resid 233 and name HN )) (( segid " A" and resid 230 and name HA )) 6.000 4.500 0.000 peak 1451 spectrum 1 weight 0.10000E+01 volume 0.23721E-02 ppm1 7.583 ppm2 5.015 CV 1 ASSI { 1452} (( segid " A" and resid 233 and name HN )) (( segid " A" and resid 233 and name HA1 )) 6.000 4.500 0.000 peak 1452 spectrum 1 weight 0.10000E+01 volume 0.21577E-02 ppm1 7.583 ppm2 4.513 CV 1 ASSI { 1453} (( segid " A" and resid 233 and name HN )) (( segid " A" and resid 232 and name HA )) 6.000 4.500 0.000 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.22161E-02 ppm1 7.590 ppm2 4.226 CV 1 ASSI { 1454} (( segid " A" and resid 233 and name HN )) (( segid " A" and resid 233 and name HA2 )) 6.000 4.500 0.000 peak 1454 spectrum 1 weight 0.10000E+01 volume 0.35108E-02 ppm1 7.583 ppm2 3.861 CV 1 ASSI { 1455} (( segid " A" and resid 233 and name HN )) (( segid " A" and resid 232 and name HB1 )) 6.000 4.500 0.000 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.63632E-03 ppm1 7.582 ppm2 3.414 CV 1 ASSI { 1456} (( segid " A" and resid 233 and name HN )) (( segid " A" and resid 232 and name HB2 )) 6.000 4.500 0.000 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.10479E-02 ppm1 7.583 ppm2 2.697 CV 1 ASSI { 1457} (( segid " A" and resid 233 and name HN )) ( segid " A" and resid 231 and name HB% ) 6.000 4.500 0.000 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.67371E-03 ppm1 7.587 ppm2 0.909 CV 1 ASSI { 1458} (( segid " A" and resid 233 and name HN )) ( segid " A" and resid 235 and name HD1%) 6.000 4.500 0.000 peak 1458 spectrum 1 weight 0.10000E+01 volume 0.46427E-03 ppm1 7.586 ppm2 0.646 CV 1 ASSI { 1459} (( segid " A" and resid 233 and name HN )) (( segid " A" and resid 234 and name HN )) 6.000 4.500 0.000 peak 1459 spectrum 1 weight 0.10000E+01 volume 0.47343E-03 ppm1 7.585 ppm2 8.023 CV 1 ASSI { 1460} (( segid " A" and resid 162 and name HN )) ( segid " A" and resid 166 and name HB% ) 6.000 4.500 0.000 peak 1460 spectrum 1 weight 0.10000E+01 volume 0.43909E-03 ppm1 6.826 ppm2 1.435 CV 1 ASSI { 1462} (( segid " A" and resid 162 and name HN )) (( segid " A" and resid 160 and name HN )) 6.000 4.500 0.000 peak 1462 spectrum 1 weight 0.10000E+01 volume 0.52073E-03 ppm1 6.830 ppm2 8.912 CV 1 ASSI { 1464} (( segid " A" and resid 162 and name HN )) (( segid " A" and resid 160 and name HA )) 6.000 4.500 0.000 peak 1464 spectrum 1 weight 0.10000E+01 volume 0.88619E-03 ppm1 6.830 ppm2 5.066 CV 1 ASSI { 1465} (( segid " A" and resid 162 and name HN )) (( segid " A" and resid 162 and name HA )) 6.000 4.500 0.000 peak 1465 spectrum 1 weight 0.10000E+01 volume 0.16534E-02 ppm1 6.828 ppm2 4.838 CV 1 ASSI { 1466} (( segid " A" and resid 287 and name HN )) (( segid " A" and resid 285 and name HA )) 6.000 4.500 0.000 peak 1466 spectrum 1 weight 0.10000E+01 volume 0.20074E-02 ppm1 7.200 ppm2 4.727 CV 1 ASSI { 1467} (( segid " A" and resid 287 and name HN )) (( segid " A" and resid 287 and name HA )) 6.000 4.500 0.000 peak 1467 spectrum 1 weight 0.10000E+01 volume 0.81371E-03 ppm1 7.199 ppm2 4.602 CV 1 ASSI { 1468} (( segid " A" and resid 287 and name HN )) (( segid " A" and resid 286 and name HA )) 6.000 4.500 0.000 peak 1468 spectrum 1 weight 0.10000E+01 volume 0.14344E-02 ppm1 7.199 ppm2 4.485 CV 1 ASSI { 1469} (( segid " A" and resid 162 and name HN )) (( segid " A" and resid 161 and name HA )) 6.000 4.500 0.000 peak 1469 spectrum 1 weight 0.10000E+01 volume 0.97127E-03 ppm1 6.831 ppm2 4.179 CV 1 ASSI { 1470} (( segid " A" and resid 162 and name HN )) (( segid " A" and resid 163 and name HD2 )) 6.000 4.500 0.000 peak 1470 spectrum 1 weight 0.10000E+01 volume 0.65959E-03 ppm1 6.829 ppm2 3.572 CV 1 OR { 1470} (( segid " A" and resid 162 and name HN )) (( segid " A" and resid 112 and name HB1 )) ASSI { 1471} (( segid " A" and resid 162 and name HN )) (( segid " A" and resid 160 and name HB1 )) 6.000 4.500 0.000 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.20318E-02 ppm1 6.829 ppm2 3.116 CV 1 ASSI { 1472} (( segid " A" and resid 162 and name HN )) (( segid " A" and resid 160 and name HB2 )) 6.000 4.500 0.000 peak 1472 spectrum 1 weight 0.10000E+01 volume 0.15233E-02 ppm1 6.827 ppm2 2.725 CV 1 ASSI { 1473} (( segid " A" and resid 287 and name HN )) (( segid " A" and resid 286 and name HB )) 6.000 4.500 0.000 peak 1473 spectrum 1 weight 0.10000E+01 volume 0.11998E-02 ppm1 7.198 ppm2 2.339 CV 1 ASSI { 1474} (( segid " A" and resid 162 and name HN )) (( segid " A" and resid 162 and name HB )) 6.000 4.500 0.000 peak 1474 spectrum 1 weight 0.10000E+01 volume 0.21791E-02 ppm1 6.829 ppm2 2.201 CV 1 ASSI { 1475} (( segid " A" and resid 162 and name HN )) (( segid " A" and resid 161 and name HB1 )) 6.000 4.500 0.000 peak 1475 spectrum 1 weight 0.10000E+01 volume 0.97584E-03 ppm1 6.828 ppm2 1.963 CV 1 ASSI { 1476} (( segid " A" and resid 135 and name HN )) (( segid " A" and resid 134 and name HG2 )) 6.000 4.500 0.000 peak 1476 spectrum 1 weight 0.10000E+01 volume 0.40552E-03 ppm1 6.507 ppm2 1.730 CV 1 ASSI { 1477} (( segid " A" and resid 135 and name HN )) ( segid " A" and resid 133 and name HB% ) 6.000 4.500 0.000 peak 1477 spectrum 1 weight 0.10000E+01 volume 0.45550E-03 ppm1 6.504 ppm2 1.592 CV 1 ASSI { 1478} (( segid " A" and resid 287 and name HN )) ( segid " A" and resid 285 and name HB% ) 6.000 4.500 0.000 peak 1478 spectrum 1 weight 0.10000E+01 volume 0.28867E-02 ppm1 7.199 ppm2 1.491 CV 1 ASSI { 1479} (( segid " A" and resid 287 and name HN )) ( segid " A" and resid 287 and name HG2%) 6.000 4.500 0.000 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.26418E-02 ppm1 7.199 ppm2 1.084 CV 1 ASSI { 1480} (( segid " A" and resid 162 and name HN )) ( segid " A" and resid 162 and name HG1%) 6.000 4.500 0.000 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.11719E-02 ppm1 6.828 ppm2 1.035 CV 1 ASSI { 1481} (( segid " A" and resid 287 and name HN )) ( segid " A" and resid 286 and name HG1%) 6.000 4.500 0.000 peak 1481 spectrum 1 weight 0.10000E+01 volume 0.15279E-02 ppm1 7.201 ppm2 0.766 CV 1 ASSI { 1482} (( segid " A" and resid 162 and name HN )) ( segid " A" and resid 162 and name HG2%) 6.000 4.500 0.000 peak 1482 spectrum 1 weight 0.10000E+01 volume 0.29863E-02 ppm1 6.828 ppm2 0.756 CV 1 ASSI { 1483} (( segid " A" and resid 162 and name HN )) ( segid " A" and resid 165 and name HB% ) 6.000 4.500 0.000 peak 1483 spectrum 1 weight 0.10000E+01 volume 0.13783E-02 ppm1 6.829 ppm2 0.628 CV 1 ASSI { 1484} (( segid " A" and resid 287 and name HN )) ( segid " A" and resid 286 and name HG2%) 6.000 4.500 0.000 peak 1484 spectrum 1 weight 0.10000E+01 volume 0.20444E-02 ppm1 7.197 ppm2 0.527 CV 1 ASSI { 1485} (( segid " A" and resid 135 and name HN )) (( segid " A" and resid 134 and name HB1 )) 6.000 4.500 0.000 peak 1485 spectrum 1 weight 0.10000E+01 volume 0.53065E-03 ppm1 6.504 ppm2 0.264 CV 1 ASSI { 1486} (( segid " A" and resid 135 and name HN )) (( segid " A" and resid 160 and name HH )) 6.000 4.500 0.000 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.70537E-03 ppm1 6.503 ppm2 9.344 CV 1 ASSI { 1487} (( segid " A" and resid 287 and name HN )) (( segid " A" and resid 285 and name HN )) 6.000 4.500 0.000 peak 1487 spectrum 1 weight 0.10000E+01 volume 0.37844E-03 ppm1 7.200 ppm2 7.691 CV 1 ASSI { 1488} (( segid " A" and resid 135 and name HN )) (( segid " A" and resid 136 and name HN )) 6.000 4.500 0.000 peak 1488 spectrum 1 weight 0.10000E+01 volume 0.28604E-02 ppm1 6.505 ppm2 7.694 CV 1 ASSI { 1489} (( segid " A" and resid 135 and name HN )) ( segid " A" and resid 135 and name HD% ) 6.000 4.500 0.000 peak 1489 spectrum 1 weight 0.10000E+01 volume 0.29298E-02 ppm1 6.506 ppm2 7.246 CV 1 ASSI { 1490} (( segid " A" and resid 135 and name HN )) (( segid " A" and resid 132 and name HA )) 6.000 4.500 0.000 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.61038E-03 ppm1 6.510 ppm2 4.710 CV 1 OR { 1490} (( segid " A" and resid 135 and name HN )) (( segid " A" and resid 133 and name HA )) ASSI { 1491} (( segid " A" and resid 135 and name HN )) (( segid " A" and resid 134 and name HA )) 6.000 4.500 0.000 peak 1491 spectrum 1 weight 0.10000E+01 volume 0.71376E-03 ppm1 6.506 ppm2 4.010 CV 1 ASSI { 1492} (( segid " A" and resid 135 and name HN )) (( segid " A" and resid 135 and name HA )) 6.000 4.500 0.000 peak 1492 spectrum 1 weight 0.10000E+01 volume 0.15279E-02 ppm1 6.506 ppm2 3.849 CV 1 ASSI { 1493} (( segid " A" and resid 135 and name HN )) (( segid " A" and resid 134 and name HD1 )) 6.000 4.500 0.000 peak 1493 spectrum 1 weight 0.10000E+01 volume 0.45817E-03 ppm1 6.508 ppm2 3.689 CV 1 ASSI { 1494} (( segid " A" and resid 135 and name HN )) (( segid " A" and resid 135 and name HB1 )) 6.000 4.500 0.000 peak 1494 spectrum 1 weight 0.10000E+01 volume 0.12562E-02 ppm1 6.506 ppm2 3.418 CV 1 ASSI { 1495} (( segid " A" and resid 135 and name HN )) (( segid " A" and resid 134 and name HD2 )) 6.000 4.500 0.000 peak 1495 spectrum 1 weight 0.10000E+01 volume 0.52378E-03 ppm1 6.507 ppm2 3.048 CV 1 ASSI { 1496} (( segid " A" and resid 135 and name HN )) (( segid " A" and resid 135 and name HB2 )) 6.000 4.500 0.000 peak 1496 spectrum 1 weight 0.10000E+01 volume 0.14996E-02 ppm1 6.505 ppm2 2.591 CV 1 ASSI { 1497} (( segid " A" and resid 124 and name HN )) (( segid " A" and resid 124 and name HA2 )) 6.000 4.500 0.000 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.11674E-02 ppm1 8.236 ppm2 4.482 CV 1 ASSI { 1498} (( segid " A" and resid 124 and name HN )) (( segid " A" and resid 123 and name HA )) 6.000 4.500 0.000 peak 1498 spectrum 1 weight 0.10000E+01 volume 0.33155E-02 ppm1 8.237 ppm2 4.367 CV 1 ASSI { 1499} (( segid " A" and resid 124 and name HN )) (( segid " A" and resid 127 and name HB )) 6.000 4.500 0.000 peak 1499 spectrum 1 weight 0.10000E+01 volume 0.39255E-03 ppm1 8.237 ppm2 4.145 CV 1 ASSI { 1500} (( segid " A" and resid 124 and name HN )) (( segid " A" and resid 124 and name HA1 )) 6.000 4.500 0.000 peak 1500 spectrum 1 weight 0.10000E+01 volume 0.13913E-02 ppm1 8.235 ppm2 3.901 CV 1 ASSI { 1501} (( segid " A" and resid 124 and name HN )) (( segid " A" and resid 123 and name HB2 )) 6.000 4.500 0.000 peak 1501 spectrum 1 weight 0.10000E+01 volume 0.49250E-03 ppm1 8.231 ppm2 1.893 CV 1 ASSI { 1502} (( segid " A" and resid 124 and name HN )) (( segid " A" and resid 123 and name HB1 )) 6.000 4.500 0.000 peak 1502 spectrum 1 weight 0.10000E+01 volume 0.10663E-02 ppm1 8.232 ppm2 1.320 CV 1 ASSI { 1503} (( segid " A" and resid 124 and name HN )) ( segid " A" and resid 123 and name HD1%) 6.000 4.500 0.000 peak 1503 spectrum 1 weight 0.10000E+01 volume 0.12074E-02 ppm1 8.236 ppm2 0.906 CV 1 OR { 1503} (( segid " A" and resid 124 and name HN )) ( segid " A" and resid 123 and name HD2%) ASSI { 1504} (( segid " A" and resid 277 and name HN )) (( segid " A" and resid 276 and name HN )) 6.000 4.500 0.000 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.56384E-03 ppm1 8.445 ppm2 9.031 CV 1 ASSI { 1506} (( segid " A" and resid 277 and name HN )) (( segid " A" and resid 274 and name HA )) 6.000 4.500 0.000 peak 1506 spectrum 1 weight 0.10000E+01 volume 0.60428E-03 ppm1 8.436 ppm2 4.311 CV 1 OR { 1506} (( segid " A" and resid 277 and name HN )) (( segid " A" and resid 278 and name HA )) ASSI { 1507} (( segid " A" and resid 277 and name HN )) (( segid " A" and resid 277 and name HA1 )) 6.000 4.500 0.000 peak 1507 spectrum 1 weight 0.10000E+01 volume 0.36146E-02 ppm1 8.436 ppm2 4.042 CV 1 ASSI { 1508} (( segid " A" and resid 277 and name HN )) (( segid " A" and resid 277 and name HA2 )) 6.000 4.500 0.000 peak 1508 spectrum 1 weight 0.10000E+01 volume 0.47800E-02 ppm1 8.436 ppm2 3.548 CV 1 ASSI { 1509} (( segid " A" and resid 136 and name HN )) (( segid " A" and resid 212 and name HH )) 6.000 4.500 0.000 peak 1509 spectrum 1 weight 0.10000E+01 volume 0.54515E-03 ppm1 7.692 ppm2 9.066 CV 1 ASSI { 1510} (( segid " A" and resid 253 and name HN )) (( segid " A" and resid 254 and name HN )) 6.000 4.500 0.000 peak 1510 spectrum 1 weight 0.10000E+01 volume 0.59207E-03 ppm1 8.743 ppm2 7.782 CV 1 ASSI { 1512} (( segid " A" and resid 136 and name HN )) ( segid " A" and resid 135 and name HD% ) 6.000 4.500 0.000 peak 1512 spectrum 1 weight 0.10000E+01 volume 0.89688E-03 ppm1 7.690 ppm2 7.247 CV 1 ASSI { 1513} (( segid " A" and resid 253 and name HN )) ( segid " A" and resid 252 and name HD% ) 6.000 4.500 0.000 peak 1513 spectrum 1 weight 0.10000E+01 volume 0.22557E-02 ppm1 8.747 ppm2 6.780 CV 1 ASSI { 1514} (( segid " A" and resid 136 and name HN )) ( segid " A" and resid 160 and name HD% ) 6.000 4.500 0.000 peak 1514 spectrum 1 weight 0.10000E+01 volume 0.90031E-03 ppm1 7.690 ppm2 6.780 CV 1 OR { 1514} (( segid " A" and resid 136 and name HN )) ( segid " A" and resid 252 and name HD% ) ASSI { 1516} (( segid " A" and resid 253 and name HN )) (( segid " A" and resid 252 and name HA )) 6.000 4.500 0.000 peak 1516 spectrum 1 weight 0.10000E+01 volume 0.31164E-02 ppm1 8.746 ppm2 5.583 CV 1 ASSI { 1517} (( segid " A" and resid 253 and name HN )) (( segid " A" and resid 214 and name HA )) 6.000 4.500 0.000 peak 1517 spectrum 1 weight 0.10000E+01 volume 0.10968E-02 ppm1 8.747 ppm2 5.068 CV 1 ASSI { 1518} (( segid " A" and resid 253 and name HN )) (( segid " A" and resid 212 and name HA )) 6.000 4.500 0.000 peak 1518 spectrum 1 weight 0.10000E+01 volume 0.39217E-03 ppm1 8.751 ppm2 4.710 CV 1 ASSI { 1519} (( segid " A" and resid 253 and name HN )) (( segid " A" and resid 253 and name HA2 )) 6.000 4.500 0.000 peak 1519 spectrum 1 weight 0.10000E+01 volume 0.17575E-02 ppm1 8.745 ppm2 4.037 CV 1 ASSI { 1520} (( segid " A" and resid 136 and name HN )) (( segid " A" and resid 136 and name HA2 )) 6.000 4.500 0.000 peak 1520 spectrum 1 weight 0.10000E+01 volume 0.20196E-02 ppm1 7.691 ppm2 4.056 CV 1 ASSI { 1521} (( segid " A" and resid 136 and name HN )) (( segid " A" and resid 136 and name HA1 )) 6.000 4.500 0.000 peak 1521 spectrum 1 weight 0.10000E+01 volume 0.27566E-02 ppm1 7.691 ppm2 3.890 CV 1 ASSI { 1522} (( segid " A" and resid 136 and name HN )) (( segid " A" and resid 135 and name HB1 )) 6.000 4.500 0.000 peak 1522 spectrum 1 weight 0.10000E+01 volume 0.10693E-02 ppm1 7.693 ppm2 3.436 CV 1 ASSI { 1523} (( segid " A" and resid 253 and name HN )) (( segid " A" and resid 252 and name HB2 )) 6.000 4.500 0.000 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.19891E-02 ppm1 8.747 ppm2 2.987 CV 1 ASSI { 1524} (( segid " A" and resid 253 and name HN )) (( segid " A" and resid 252 and name HB1 )) 6.000 4.500 0.000 peak 1524 spectrum 1 weight 0.10000E+01 volume 0.16969E-02 ppm1 8.747 ppm2 2.737 CV 1 ASSI { 1525} (( segid " A" and resid 136 and name HN )) ( segid " A" and resid 133 and name HB% ) 6.000 4.500 0.000 peak 1525 spectrum 1 weight 0.10000E+01 volume 0.47648E-03 ppm1 7.695 ppm2 1.580 CV 1 ASSI { 1526} (( segid " A" and resid 136 and name HN )) ( segid " A" and resid 214 and name HB% ) 6.000 4.500 0.000 peak 1526 spectrum 1 weight 0.10000E+01 volume 0.85377E-03 ppm1 7.692 ppm2 1.257 CV 1 ASSI { 1527} (( segid " A" and resid 253 and name HN )) (( segid " A" and resid 213 and name HB )) 6.000 4.500 0.000 peak 1527 spectrum 1 weight 0.10000E+01 volume 0.13672E-02 ppm1 8.747 ppm2 1.229 CV 1 OR { 1527} (( segid " A" and resid 253 and name HN )) ( segid " A" and resid 214 and name HB% ) ASSI { 1528} (( segid " A" and resid 253 and name HN )) (( segid " A" and resid 240 and name HB1 )) 6.000 4.500 0.000 peak 1528 spectrum 1 weight 0.10000E+01 volume 0.62335E-03 ppm1 8.750 ppm2 0.756 CV 1 OR { 1528} (( segid " A" and resid 253 and name HN )) ( segid " A" and resid 241 and name HB% ) OR { 1528} (( segid " A" and resid 253 and name HN )) (( segid " A" and resid 164 and name HB2 )) ASSI { 1529} (( segid " A" and resid 136 and name HN )) ( segid " A" and resid 138 and name HD1%) 6.000 4.500 0.000 peak 1529 spectrum 1 weight 0.10000E+01 volume 0.50013E-03 ppm1 7.692 ppm2 0.748 CV 1 OR { 1529} (( segid " A" and resid 136 and name HN )) ( segid " A" and resid 162 and name HG2%) ASSI { 1530} (( segid " A" and resid 253 and name HN )) ( segid " A" and resid 213 and name HG1%) 6.000 4.500 0.000 peak 1530 spectrum 1 weight 0.10000E+01 volume 0.22710E-02 ppm1 8.747 ppm2 0.354 CV 1 OR { 1530} (( segid " A" and resid 253 and name HN )) ( segid " A" and resid 216 and name HG2%) ASSI { 1531} (( segid " A" and resid 253 and name HN )) ( segid " A" and resid 240 and name HD2%) 6.000 4.500 0.000 peak 1531 spectrum 1 weight 0.10000E+01 volume 0.98347E-03 ppm1 8.748 ppm2 0.058 CV 1 ASSI { 1532} (( segid " A" and resid 136 and name HN )) (( segid " A" and resid 160 and name HH )) 6.000 4.500 0.000 peak 1532 spectrum 1 weight 0.10000E+01 volume 0.50089E-03 ppm1 7.691 ppm2 9.344 CV 1 ASSI { 1533} (( segid " A" and resid 136 and name HN )) (( segid " A" and resid 165 and name HN )) 6.000 4.500 0.000 peak 1533 spectrum 1 weight 0.10000E+01 volume 0.50623E-03 ppm1 7.692 ppm2 6.290 CV 1 ASSI { 1534} (( segid " A" and resid 136 and name HN )) (( segid " A" and resid 133 and name HA )) 6.000 4.500 0.000 peak 1534 spectrum 1 weight 0.10000E+01 volume 0.10434E-02 ppm1 7.693 ppm2 4.690 CV 1 ASSI { 1535} (( segid " A" and resid 136 and name HN )) (( segid " A" and resid 135 and name HB2 )) 6.000 4.500 0.000 peak 1535 spectrum 1 weight 0.10000E+01 volume 0.61801E-03 ppm1 7.692 ppm2 2.588 CV 1 ASSI { 1536} (( segid " A" and resid 136 and name HN )) ( segid " A" and resid 165 and name HB% ) 6.000 4.500 0.000 peak 1536 spectrum 1 weight 0.10000E+01 volume 0.10998E-02 ppm1 7.693 ppm2 0.627 CV 1 ASSI { 1537} (( segid " A" and resid 287 and name HN )) (( segid " A" and resid 287 and name HB )) 6.000 4.500 0.000 peak 1537 spectrum 1 weight 0.10000E+01 volume 0.36699E-03 ppm1 7.197 ppm2 4.185 CV 1 ASSI { 1538} (( segid " A" and resid 284 and name HN )) (( segid " A" and resid 284 and name HD1 )) 6.000 4.500 0.000 peak 1538 spectrum 1 weight 0.10000E+01 volume 0.16839E-02 ppm1 8.577 ppm2 1.701 CV 1 OR { 1538} (( segid " A" and resid 284 and name HN )) (( segid " A" and resid 284 and name HD2 )) ASSI { 1539} (( segid " A" and resid 282 and name HN )) (( segid " A" and resid 282 and name HA )) 6.000 4.500 0.000 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.13314E-02 ppm1 8.659 ppm2 5.355 CV 1 ASSI { 1540} (( segid " A" and resid 281 and name HN )) (( segid " A" and resid 281 and name HB2 )) 6.000 4.500 0.000 peak 1540 spectrum 1 weight 0.10000E+01 volume 0.16316E-02 ppm1 7.744 ppm2 1.730 CV 1 OR { 1540} (( segid " A" and resid 281 and name HN )) (( segid " A" and resid 281 and name HB1 )) ASSI { 1541} (( segid " A" and resid 280 and name HN )) (( segid " A" and resid 280 and name HA )) 6.000 4.500 0.000 peak 1541 spectrum 1 weight 0.10000E+01 volume 0.23385E-02 ppm1 9.218 ppm2 4.441 CV 1 ASSI { 1542} (( segid " A" and resid 280 and name HN )) (( segid " A" and resid 280 and name HG )) 6.000 4.500 0.000 peak 1542 spectrum 1 weight 0.10000E+01 volume 0.27002E-02 ppm1 9.220 ppm2 2.227 CV 1 ASSI { 1543} (( segid " A" and resid 280 and name HN )) ( segid " A" and resid 280 and name HD1%) 6.000 4.500 0.000 peak 1543 spectrum 1 weight 0.10000E+01 volume 0.11918E-02 ppm1 9.218 ppm2 1.003 CV 1 ASSI { 1544} (( segid " A" and resid 278 and name HN )) (( segid " A" and resid 278 and name HG2 )) 6.000 4.500 0.000 peak 1544 spectrum 1 weight 0.10000E+01 volume 0.14130E-02 ppm1 7.091 ppm2 2.316 CV 1 ASSI { 1545} (( segid " A" and resid 275 and name HN )) ( segid " A" and resid 275 and name HD2%) 6.000 4.500 0.000 peak 1545 spectrum 1 weight 0.10000E+01 volume 0.79616E-03 ppm1 8.462 ppm2 0.928 CV 1 ASSI { 1546} (( segid " A" and resid 272 and name HN )) (( segid " A" and resid 272 and name HG )) 6.000 4.500 0.000 peak 1546 spectrum 1 weight 0.10000E+01 volume 0.13867E-02 ppm1 9.207 ppm2 1.503 CV 1 ASSI { 1547} (( segid " A" and resid 271 and name HN )) (( segid " A" and resid 271 and name HB1 )) 6.000 4.500 0.000 peak 1547 spectrum 1 weight 0.10000E+01 volume 0.44634E-02 ppm1 7.804 ppm2 2.815 CV 1 ASSI { 1548} (( segid " A" and resid 263 and name HN )) (( segid " A" and resid 263 and name HB2 )) 6.000 4.500 0.000 peak 1548 spectrum 1 weight 0.10000E+01 volume 0.23999E-02 ppm1 6.855 ppm2 3.735 CV 1 ASSI { 1549} (( segid " A" and resid 253 and name HN )) (( segid " A" and resid 253 and name HA1 )) 6.000 4.500 0.000 peak 1549 spectrum 1 weight 0.10000E+01 volume 0.16793E-02 ppm1 8.747 ppm2 4.005 CV 1 ASSI { 1550} (( segid " A" and resid 250 and name HN )) (( segid " A" and resid 250 and name HB1 )) 6.000 4.500 0.000 peak 1550 spectrum 1 weight 0.10000E+01 volume 0.31511E-02 ppm1 8.599 ppm2 1.327 CV 1 ASSI { 1551} (( segid " A" and resid 245 and name HN )) (( segid " A" and resid 245 and name HA )) 6.000 4.500 0.000 peak 1551 spectrum 1 weight 0.10000E+01 volume 0.16316E-02 ppm1 8.407 ppm2 4.212 CV 1 ASSI { 1552} (( segid " A" and resid 240 and name HN )) (( segid " A" and resid 240 and name HA )) 6.000 4.500 0.000 peak 1552 spectrum 1 weight 0.10000E+01 volume 0.18529E-02 ppm1 8.575 ppm2 4.569 CV 1 ASSI { 1553} (( segid " A" and resid 240 and name HN )) ( segid " A" and resid 240 and name HD2%) 6.000 4.500 0.000 peak 1553 spectrum 1 weight 0.10000E+01 volume 0.14302E-02 ppm1 8.579 ppm2 0.062 CV 1 ASSI { 1554} (( segid " A" and resid 239 and name HN )) (( segid " A" and resid 239 and name HA )) 6.000 4.500 0.000 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.39064E-02 ppm1 8.156 ppm2 4.844 CV 1 ASSI { 1555} (( segid " A" and resid 235 and name HN )) ( segid " A" and resid 235 and name HD1%) 6.000 4.500 0.000 peak 1555 spectrum 1 weight 0.10000E+01 volume 0.87742E-03 ppm1 9.258 ppm2 0.641 CV 1 ASSI { 1556} (( segid " A" and resid 225 and name HN )) ( segid " A" and resid 225 and name HD1%) 6.000 4.500 0.000 peak 1556 spectrum 1 weight 0.10000E+01 volume 0.21424E-02 ppm1 7.304 ppm2 0.605 CV 1 ASSI { 1557} (( segid " A" and resid 218 and name HN )) (( segid " A" and resid 218 and name HB1 )) 6.000 4.500 0.000 peak 1557 spectrum 1 weight 0.10000E+01 volume 0.32377E-02 ppm1 8.044 ppm2 1.825 CV 1 ASSI { 1558} (( segid " A" and resid 214 and name HN )) (( segid " A" and resid 214 and name HA )) 6.000 4.500 0.000 peak 1558 spectrum 1 weight 0.10000E+01 volume 0.14432E-02 ppm1 8.901 ppm2 5.065 CV 1 ASSI { 1559} (( segid " A" and resid 213 and name HN )) ( segid " A" and resid 213 and name HG2%) 6.000 4.500 0.000 peak 1559 spectrum 1 weight 0.10000E+01 volume 0.30988E-02 ppm1 7.611 ppm2 0.350 CV 1 ASSI { 1560} (( segid " A" and resid 211 and name HN )) (( segid " A" and resid 211 and name HG11)) 6.000 4.500 0.000 peak 1560 spectrum 1 weight 0.10000E+01 volume 0.14584E-02 ppm1 9.503 ppm2 1.021 CV 1 ASSI { 1562} (( segid " A" and resid 204 and name HN )) (( segid " A" and resid 204 and name HB1 )) 6.000 4.500 0.000 peak 1562 spectrum 1 weight 0.10000E+01 volume 0.28520E-02 ppm1 8.440 ppm2 2.061 CV 1 ASSI { 1563} (( segid " A" and resid 203 and name HN )) (( segid " A" and resid 203 and name HG2 )) 6.000 4.500 0.000 peak 1563 spectrum 1 weight 0.10000E+01 volume 0.39522E-02 ppm1 7.770 ppm2 2.274 CV 1 ASSI { 1564} (( segid " A" and resid 203 and name HN )) (( segid " A" and resid 203 and name HG1 )) 6.000 4.500 0.000 peak 1564 spectrum 1 weight 0.10000E+01 volume 0.35803E-02 ppm1 7.777 ppm2 2.274 CV 1 ASSI { 1565} (( segid " A" and resid 201 and name HN )) ( segid " A" and resid 201 and name HD2%) 6.000 4.500 0.000 peak 1565 spectrum 1 weight 0.10000E+01 volume 0.35238E-02 ppm1 8.609 ppm2 0.776 CV 1 ASSI { 1566} (( segid " A" and resid 200 and name HN )) (( segid " A" and resid 200 and name HG1 )) 6.000 4.500 0.000 peak 1566 spectrum 1 weight 0.10000E+01 volume 0.22988E-02 ppm1 7.621 ppm2 2.533 CV 1 ASSI { 1567} (( segid " A" and resid 200 and name HN )) (( segid " A" and resid 200 and name HB2 )) 6.000 4.500 0.000 peak 1567 spectrum 1 weight 0.10000E+01 volume 0.59741E-02 ppm1 7.621 ppm2 2.167 CV 1 ASSI { 1568} (( segid " A" and resid 199 and name HN )) (( segid " A" and resid 199 and name HB1 )) 6.000 4.500 0.000 peak 1568 spectrum 1 weight 0.10000E+01 volume 0.46694E-02 ppm1 8.617 ppm2 2.629 CV 1 ASSI { 1569} (( segid " A" and resid 197 and name HN )) ( segid " A" and resid 197 and name HD1%) 6.000 4.500 0.000 peak 1569 spectrum 1 weight 0.10000E+01 volume 0.20963E-02 ppm1 7.122 ppm2 0.774 CV 1 ASSI { 1570} (( segid " A" and resid 285 and name HN )) (( segid " A" and resid 284 and name HB1 )) 6.000 4.500 0.000 peak 1570 spectrum 1 weight 0.10000E+01 volume 0.24766E-02 ppm1 7.687 ppm2 1.821 CV 1 ASSI { 1572} (( segid " A" and resid 282 and name HN )) (( segid " A" and resid 281 and name HB1 )) 6.000 4.500 0.000 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.33548E-02 ppm1 8.657 ppm2 1.715 CV 1 OR { 1572} (( segid " A" and resid 282 and name HN )) (( segid " A" and resid 281 and name HB2 )) ASSI { 1574} (( segid " A" and resid 274 and name HN )) (( segid " A" and resid 273 and name HA )) 6.000 4.500 0.000 peak 1574 spectrum 1 weight 0.10000E+01 volume 0.97088E-02 ppm1 7.882 ppm2 4.279 CV 1 ASSI { 1575} (( segid " A" and resid 270 and name HN )) (( segid " A" and resid 269 and name HB1 )) 6.000 4.500 0.000 peak 1575 spectrum 1 weight 0.10000E+01 volume 0.34067E-03 ppm1 7.725 ppm2 3.684 CV 1 ASSI { 1576} (( segid " A" and resid 270 and name HN )) (( segid " A" and resid 267 and name HA )) 6.000 4.500 0.000 peak 1576 spectrum 1 weight 0.10000E+01 volume 0.53370E-03 ppm1 7.726 ppm2 3.440 CV 1 ASSI { 1578} (( segid " A" and resid 267 and name HN )) (( segid " A" and resid 263 and name HA )) 6.000 4.500 0.000 peak 1578 spectrum 1 weight 0.10000E+01 volume 0.31244E-03 ppm1 7.678 ppm2 3.664 CV 1 ASSI { 1579} (( segid " A" and resid 266 and name HN )) (( segid " A" and resid 264 and name HA )) 6.000 4.500 0.000 peak 1579 spectrum 1 weight 0.10000E+01 volume 0.71185E-03 ppm1 7.890 ppm2 3.908 CV 1 ASSI { 1580} (( segid " A" and resid 256 and name HN )) (( segid " A" and resid 256 and name HA )) 6.000 4.500 0.000 peak 1580 spectrum 1 weight 0.10000E+01 volume 0.34155E-02 ppm1 8.806 ppm2 5.001 CV 1 ASSI { 1581} (( segid " A" and resid 254 and name HN )) (( segid " A" and resid 253 and name HA2 )) 6.000 4.500 0.000 peak 1581 spectrum 1 weight 0.10000E+01 volume 0.33071E-02 ppm1 7.773 ppm2 4.067 CV 1 ASSI { 1582} (( segid " A" and resid 250 and name HN )) (( segid " A" and resid 252 and name HN )) 6.000 4.500 0.000 peak 1582 spectrum 1 weight 0.10000E+01 volume 0.37081E-03 ppm1 8.599 ppm2 7.088 CV 1 ASSI { 1584} (( segid " A" and resid 231 and name HN )) (( segid " A" and resid 229 and name HN )) 6.000 4.500 0.000 peak 1584 spectrum 1 weight 0.10000E+01 volume 0.35974E-03 ppm1 7.442 ppm2 8.300 CV 1 ASSI { 1585} (( segid " A" and resid 230 and name HN )) (( segid " A" and resid 232 and name HN )) 6.000 4.500 0.000 peak 1585 spectrum 1 weight 0.10000E+01 volume 0.35097E-03 ppm1 8.882 ppm2 7.067 CV 1 ASSI { 1587} (( segid " A" and resid 227 and name HN )) (( segid " A" and resid 226 and name HB2 )) 6.000 4.500 0.000 peak 1587 spectrum 1 weight 0.10000E+01 volume 0.27566E-02 ppm1 7.891 ppm2 1.952 CV 1 ASSI { 1588} (( segid " A" and resid 225 and name HN )) (( segid " A" and resid 227 and name HN )) 6.000 4.500 0.000 peak 1588 spectrum 1 weight 0.10000E+01 volume 0.28459E-03 ppm1 7.292 ppm2 7.870 CV 1 ASSI { 1589} (( segid " A" and resid 217 and name HN )) (( segid " A" and resid 216 and name HN )) 6.000 4.500 0.000 peak 1589 spectrum 1 weight 0.10000E+01 volume 0.65730E-03 ppm1 8.897 ppm2 8.064 CV 1 ASSI { 1593} (( segid " A" and resid 200 and name HN )) (( segid " A" and resid 199 and name HB1 )) 6.000 4.500 0.000 peak 1593 spectrum 1 weight 0.10000E+01 volume 0.30557E-02 ppm1 7.622 ppm2 2.635 CV 1 ASSI { 1594} (( segid " A" and resid 198 and name HN )) (( segid " A" and resid 197 and name HB )) 6.000 4.500 0.000 peak 1594 spectrum 1 weight 0.10000E+01 volume 0.42841E-02 ppm1 7.944 ppm2 1.968 CV 1 ASSI { 1595} (( segid " A" and resid 184 and name HN )) (( segid " A" and resid 184 and name HB1 )) 6.000 4.500 0.000 peak 1595 spectrum 1 weight 0.10000E+01 volume 0.38301E-02 ppm1 7.942 ppm2 1.554 CV 1 ASSI { 1596} (( segid " A" and resid 183 and name HN )) ( segid " A" and resid 183 and name HD1%) 6.000 4.500 0.000 peak 1596 spectrum 1 weight 0.10000E+01 volume 0.22374E-02 ppm1 8.322 ppm2 0.851 CV 1 ASSI { 1597} (( segid " A" and resid 177 and name HN )) (( segid " A" and resid 177 and name HG1 )) 6.000 4.500 0.000 peak 1597 spectrum 1 weight 0.10000E+01 volume 0.16534E-02 ppm1 8.233 ppm2 2.266 CV 1 ASSI { 1598} (( segid " A" and resid 172 and name HN )) (( segid " A" and resid 172 and name HG1 )) 6.000 4.500 0.000 peak 1598 spectrum 1 weight 0.10000E+01 volume 0.33632E-02 ppm1 8.155 ppm2 2.361 CV 1 ASSI { 1599} (( segid " A" and resid 171 and name HN )) (( segid " A" and resid 171 and name HG1 )) 6.000 4.500 0.000 peak 1599 spectrum 1 weight 0.10000E+01 volume 0.32201E-02 ppm1 7.566 ppm2 2.197 CV 1 ASSI { 1600} (( segid " A" and resid 170 and name HN )) (( segid " A" and resid 170 and name HG )) 6.000 4.500 0.000 peak 1600 spectrum 1 weight 0.10000E+01 volume 0.49708E-02 ppm1 7.980 ppm2 1.702 CV 1 ASSI { 1601} (( segid " A" and resid 168 and name HN )) (( segid " A" and resid 168 and name HA )) 6.000 4.500 0.000 peak 1601 spectrum 1 weight 0.10000E+01 volume 0.30382E-02 ppm1 7.446 ppm2 4.005 CV 1 ASSI { 1602} (( segid " A" and resid 168 and name HN )) (( segid " A" and resid 165 and name HA )) 6.000 4.500 0.000 peak 1602 spectrum 1 weight 0.10000E+01 volume 0.10907E-02 ppm1 7.438 ppm2 3.612 CV 1 ASSI { 1603} (( segid " A" and resid 166 and name HN )) (( segid " A" and resid 165 and name HA )) 6.000 4.500 0.000 peak 1603 spectrum 1 weight 0.10000E+01 volume 0.18830E-02 ppm1 5.891 ppm2 3.610 CV 1 ASSI { 1604} (( segid " A" and resid 161 and name HN )) (( segid " A" and resid 161 and name HG1 )) 6.000 4.500 0.000 peak 1604 spectrum 1 weight 0.10000E+01 volume 0.23721E-02 ppm1 8.709 ppm2 2.250 CV 1 OR { 1604} (( segid " A" and resid 161 and name HN )) (( segid " A" and resid 161 and name HG2 )) ASSI { 1605} (( segid " A" and resid 159 and name HN )) (( segid " A" and resid 159 and name HG1 )) 6.000 4.500 0.000 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.30340E-02 ppm1 8.616 ppm2 2.009 CV 1 OR { 1605} (( segid " A" and resid 159 and name HN )) (( segid " A" and resid 159 and name HG2 )) ASSI { 1606} (( segid " A" and resid 158 and name HN )) ( segid " A" and resid 158 and name HG1%) 6.000 4.500 0.000 peak 1606 spectrum 1 weight 0.10000E+01 volume 0.11109E-02 ppm1 8.873 ppm2 0.101 CV 1 ASSI { 1607} (( segid " A" and resid 162 and name HN )) (( segid " A" and resid 161 and name HB2 )) 6.000 4.500 0.000 peak 1607 spectrum 1 weight 0.10000E+01 volume 0.21791E-02 ppm1 6.829 ppm2 2.201 CV 1 ASSI { 1609} (( segid " A" and resid 159 and name HN )) (( segid " A" and resid 158 and name HB )) 6.000 4.500 0.000 peak 1609 spectrum 1 weight 0.10000E+01 volume 0.11933E-02 ppm1 8.614 ppm2 1.413 CV 1 ASSI { 1610} (( segid " A" and resid 149 and name HN )) (( segid " A" and resid 149 and name HB )) 6.000 4.500 0.000 peak 1610 spectrum 1 weight 0.10000E+01 volume 0.64662E-03 ppm1 7.706 ppm2 4.074 CV 1 ASSI { 1612} (( segid " A" and resid 145 and name HN )) (( segid " A" and resid 145 and name HB1 )) 6.000 4.500 0.000 peak 1612 spectrum 1 weight 0.10000E+01 volume 0.13207E-02 ppm1 8.227 ppm2 3.008 CV 1 ASSI { 1613} (( segid " A" and resid 141 and name HN )) (( segid " A" and resid 141 and name HG11)) 6.000 4.500 0.000 peak 1613 spectrum 1 weight 0.10000E+01 volume 0.77556E-03 ppm1 8.171 ppm2 0.789 CV 1 ASSI { 1614} (( segid " A" and resid 140 and name HN )) (( segid " A" and resid 140 and name HB2 )) 6.000 4.500 0.000 peak 1614 spectrum 1 weight 0.10000E+01 volume 0.15061E-02 ppm1 7.691 ppm2 3.672 CV 1 ASSI { 1615} (( segid " A" and resid 141 and name HN )) (( segid " A" and resid 140 and name HB1 )) 6.000 4.500 0.000 peak 1615 spectrum 1 weight 0.10000E+01 volume 0.23110E-02 ppm1 8.169 ppm2 3.709 CV 1 ASSI { 1616} (( segid " A" and resid 139 and name HN )) (( segid " A" and resid 138 and name HB )) 6.000 4.500 0.000 peak 1616 spectrum 1 weight 0.10000E+01 volume 0.73894E-03 ppm1 9.485 ppm2 1.609 CV 1 ASSI { 1617} (( segid " A" and resid 130 and name HN )) (( segid " A" and resid 130 and name HG1 )) 6.000 4.500 0.000 peak 1617 spectrum 1 weight 0.10000E+01 volume 0.21363E-02 ppm1 7.903 ppm2 2.378 CV 1 ASSI { 1618} (( segid " A" and resid 129 and name HN )) (( segid " A" and resid 129 and name HB1 )) 6.000 4.500 0.000 peak 1618 spectrum 1 weight 0.10000E+01 volume 0.44367E-02 ppm1 8.862 ppm2 1.885 CV 1 ASSI { 1619} (( segid " A" and resid 128 and name HN )) (( segid " A" and resid 128 and name HB )) 6.000 4.500 0.000 peak 1619 spectrum 1 weight 0.10000E+01 volume 0.27307E-02 ppm1 7.405 ppm2 1.979 CV 1 ASSI { 1620} (( segid " A" and resid 128 and name HN )) ( segid " A" and resid 128 and name HD1%) 6.000 4.500 0.000 peak 1620 spectrum 1 weight 0.10000E+01 volume 0.18941E-02 ppm1 7.405 ppm2 0.471 CV 1 ASSI { 1621} (( segid " A" and resid 125 and name HN )) (( segid " A" and resid 125 and name HA )) 6.000 4.500 0.000 peak 1621 spectrum 1 weight 0.10000E+01 volume 0.68362E-03 ppm1 8.877 ppm2 3.687 CV 1 ASSI { 1622} (( segid " A" and resid 125 and name HN )) (( segid " A" and resid 125 and name HB1 )) 6.000 4.500 0.000 peak 1622 spectrum 1 weight 0.10000E+01 volume 0.80913E-03 ppm1 8.881 ppm2 2.186 CV 1 ASSI { 1623} (( segid " A" and resid 123 and name HN )) (( segid " A" and resid 123 and name HB2 )) 6.000 4.500 0.000 peak 1623 spectrum 1 weight 0.10000E+01 volume 0.23538E-02 ppm1 7.746 ppm2 1.884 CV 1 ASSI { 1624} (( segid " A" and resid 123 and name HN )) ( segid " A" and resid 123 and name HD2%) 6.000 4.500 0.000 peak 1624 spectrum 1 weight 0.10000E+01 volume 0.29516E-02 ppm1 7.748 ppm2 0.912 CV 1 ASSI { 1625} (( segid " A" and resid 129 and name HN )) (( segid " A" and resid 128 and name HB )) 6.000 4.500 0.000 peak 1625 spectrum 1 weight 0.10000E+01 volume 0.43108E-02 ppm1 8.861 ppm2 1.977 CV 1 ASSI { 1626} (( segid " A" and resid 128 and name HN )) (( segid " A" and resid 127 and name HA )) 6.000 4.500 0.000 peak 1626 spectrum 1 weight 0.10000E+01 volume 0.72368E-03 ppm1 7.405 ppm2 3.967 CV 1 ASSI { 1627} (( segid " A" and resid 115 and name HN )) (( segid " A" and resid 115 and name HA )) 6.000 4.500 0.000 peak 1627 spectrum 1 weight 0.10000E+01 volume 0.80723E-03 ppm1 8.791 ppm2 4.470 CV 1 ASSI { 1628} (( segid " A" and resid 115 and name HN )) (( segid " A" and resid 115 and name HB1 )) 6.000 4.500 0.000 peak 1628 spectrum 1 weight 0.10000E+01 volume 0.17812E-02 ppm1 8.789 ppm2 2.424 CV 1 ASSI { 1629} (( segid " A" and resid 114 and name HN )) ( segid " A" and resid 114 and name HG2%) 6.000 4.500 0.000 peak 1629 spectrum 1 weight 0.10000E+01 volume 0.34326E-02 ppm1 9.061 ppm2 0.871 CV 1 ASSI { 1631} (( segid " A" and resid 113 and name HN )) (( segid " A" and resid 113 and name HG2 )) 6.000 4.500 0.000 peak 1631 spectrum 1 weight 0.10000E+01 volume 0.54972E-02 ppm1 7.386 ppm2 1.719 CV 1 ASSI { 1632} (( segid " A" and resid 113 and name HN )) (( segid " A" and resid 113 and name HB1 )) 6.000 4.500 0.000 peak 1632 spectrum 1 weight 0.10000E+01 volume 0.38568E-02 ppm1 7.386 ppm2 1.785 CV 1 ASSI { 1633} (( segid " A" and resid 108 and name HN )) ( segid " A" and resid 108 and name HD2%) 6.000 4.500 0.000 peak 1633 spectrum 1 weight 0.10000E+01 volume 0.40323E-02 ppm1 8.117 ppm2 0.820 CV 1 ASSI { 1634} (( segid " A" and resid 159 and name HN )) (( segid " A" and resid 139 and name HN )) 6.000 4.500 0.000 peak 1634 spectrum 1 weight 0.10000E+01 volume 0.34868E-03 ppm1 8.616 ppm2 9.491 CV 1 ASSI { 1635} (( segid " A" and resid 109 and name HN )) (( segid " A" and resid 108 and name HA )) 6.000 4.500 0.000 peak 1635 spectrum 1 weight 0.10000E+01 volume 0.17682E-02 ppm1 7.384 ppm2 3.956 CV 1 ASSI { 1636} (( segid " A" and resid 111 and name HN )) (( segid " A" and resid 108 and name HA )) 6.000 4.500 0.000 peak 1636 spectrum 1 weight 0.10000E+01 volume 0.18811E-02 ppm1 8.162 ppm2 3.967 CV 1 ASSI { 1639} (( segid " A" and resid 205 and name HN )) (( segid " A" and resid 204 and name HB1 )) 6.000 4.500 0.000 peak 1639 spectrum 1 weight 0.10000E+01 volume 0.23660E-02 ppm1 8.179 ppm2 2.045 CV 1 ASSI { 1640} (( segid " A" and resid 256 and name HN )) (( segid " A" and resid 256 and name HG2 )) 6.000 4.500 0.000 peak 1640 spectrum 1 weight 0.10000E+01 volume 0.31900E-02 ppm1 8.806 ppm2 2.152 CV 1 ASSI { 1641} (( segid " A" and resid 258 and name HN )) (( segid " A" and resid 258 and name HG1 )) 6.000 4.500 0.000 peak 1641 spectrum 1 weight 0.10000E+01 volume 0.40514E-02 ppm1 8.269 ppm2 2.176 CV 1 ASSI { 1642} (( segid " A" and resid 258 and name HN )) (( segid " A" and resid 258 and name HG2 )) 6.000 4.500 0.000 peak 1642 spectrum 1 weight 0.10000E+01 volume 0.18311E-02 ppm1 8.268 ppm2 2.111 CV 1 ASSI { 1644} (( segid " A" and resid 254 and name HN )) (( segid " A" and resid 254 and name HB1 )) 6.000 4.500 0.000 peak 1644 spectrum 1 weight 0.10000E+01 volume 0.26174E-02 ppm1 7.777 ppm2 2.717 CV 1 ASSI { 1645} (( segid " A" and resid 255 and name HN )) (( segid " A" and resid 254 and name HB1 )) 6.000 4.500 0.000 peak 1645 spectrum 1 weight 0.10000E+01 volume 0.18529E-02 ppm1 8.742 ppm2 2.721 CV 1 ASSI { 1646} (( segid " A" and resid 265 and name HN )) (( segid " A" and resid 265 and name HB2 )) 6.000 4.500 0.000 peak 1646 spectrum 1 weight 0.10000E+01 volume 0.41315E-02 ppm1 8.290 ppm2 2.715 CV 1 ASSI { 1647} (( segid " A" and resid 266 and name HN )) (( segid " A" and resid 265 and name HB1 )) 6.000 4.500 0.000 peak 1647 spectrum 1 weight 0.10000E+01 volume 0.35410E-02 ppm1 7.891 ppm2 2.709 CV 1 ASSI { 1648} (( segid " A" and resid 268 and name HN )) (( segid " A" and resid 268 and name HB2 )) 6.000 4.500 0.000 peak 1648 spectrum 1 weight 0.10000E+01 volume 0.74810E-02 ppm1 7.722 ppm2 3.919 CV 1 ASSI { 1649} (( segid " A" and resid 269 and name HN )) (( segid " A" and resid 268 and name HB2 )) 6.000 4.500 0.000 peak 1649 spectrum 1 weight 0.10000E+01 volume 0.20658E-02 ppm1 7.329 ppm2 3.920 CV 1 ASSI { 1652} (( segid " A" and resid 170 and name HN )) ( segid " A" and resid 170 and name HD2%) 6.000 4.500 0.000 peak 1652 spectrum 1 weight 0.10000E+01 volume 0.23538E-02 ppm1 7.982 ppm2 0.769 CV 1 ASSI { 1653} (( segid " A" and resid 209 and name HD22)) (( segid " A" and resid 209 and name HB2 )) 6.000 4.500 0.000 peak 1653 spectrum 1 weight 0.10000E+01 volume 0.16034E-02 ppm1 6.600 ppm2 3.541 CV 1 ASSI { 1654} (( segid " A" and resid 209 and name HD21)) (( segid " A" and resid 209 and name HB1 )) 6.000 4.500 0.000 peak 1654 spectrum 1 weight 0.10000E+01 volume 0.74962E-03 ppm1 6.602 ppm2 2.649 CV 1 ASSI { 1655} (( segid " A" and resid 132 and name HN )) ( segid " A" and resid 135 and name HE% ) 6.000 4.500 0.000 peak 1655 spectrum 1 weight 0.10000E+01 volume 0.43757E-03 ppm1 8.070 ppm2 7.327 CV 1
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