NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
476610 | 2kxf | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 1} (( segid " A" and resid 287 and name HB )) (( segid " A" and resid 287 and name HA )) 2.700 0.900 0.900 peak 1 spectrum 1 weight 0.10000E+01 volume 0.48139E-02 ppm1 4.212 ppm2 4.658 CV 1 ASSI { 3} ( segid " A" and resid 287 and name HG2%) (( segid " A" and resid 287 and name HN )) 2.900 1.000 1.000 peak 3 spectrum 1 weight 0.10000E+01 volume 0.60615E-02 ppm1 1.093 ppm2 7.227 CV 1 ASSI { 5} ( segid " A" and resid 287 and name HG2%) (( segid " A" and resid 287 and name HB )) 2.300 0.700 0.700 peak 5 spectrum 1 weight 0.10000E+01 volume 0.12543E-01 ppm1 1.086 ppm2 4.210 CV 1 ASSI { 6} (( segid " A" and resid 286 and name HB )) (( segid " A" and resid 286 and name HN )) 4.500 2.500 1.500 peak 6 spectrum 1 weight 0.10000E+01 volume 0.93216E-03 ppm1 2.388 ppm2 9.857 CV 1 ASSI { 7} (( segid " A" and resid 286 and name HB )) (( segid " A" and resid 286 and name HA )) 2.400 0.700 0.700 peak 7 spectrum 1 weight 0.10000E+01 volume 0.11153E-01 ppm1 2.383 ppm2 4.518 CV 1 ASSI { 10} ( segid " A" and resid 286 and name HG1%) (( segid " A" and resid 286 and name HN )) 2.700 0.900 0.900 peak 10 spectrum 1 weight 0.10000E+01 volume 0.39001E-02 ppm1 0.792 ppm2 9.837 CV 1 ASSI { 11} ( segid " A" and resid 286 and name HG1%) (( segid " A" and resid 286 and name HA )) 2.400 0.700 0.700 peak 11 spectrum 1 weight 0.10000E+01 volume 0.14507E-01 ppm1 0.793 ppm2 4.525 CV 1 ASSI { 12} ( segid " A" and resid 286 and name HG1%) (( segid " A" and resid 286 and name HB )) 2.000 0.500 0.500 peak 12 spectrum 1 weight 0.10000E+01 volume 0.27157E-01 ppm1 0.793 ppm2 2.373 CV 1 ASSI { 14} ( segid " A" and resid 286 and name HG2%) (( segid " A" and resid 286 and name HN )) 2.300 0.600 0.600 peak 14 spectrum 1 weight 0.10000E+01 volume 0.89304E-02 ppm1 0.558 ppm2 9.839 CV 1 ASSI { 15} ( segid " A" and resid 286 and name HG2%) (( segid " A" and resid 286 and name HA )) 3.300 1.300 1.300 peak 15 spectrum 1 weight 0.10000E+01 volume 0.61364E-02 ppm1 0.558 ppm2 4.525 CV 1 ASSI { 16} ( segid " A" and resid 286 and name HG2%) (( segid " A" and resid 286 and name HB )) 2.000 0.500 0.500 peak 16 spectrum 1 weight 0.10000E+01 volume 0.24211E-01 ppm1 0.558 ppm2 2.375 CV 1 ASSI { 17} ( segid " A" and resid 286 and name HG2%) ( segid " A" and resid 286 and name HG1%) 2.000 0.500 0.500 peak 17 spectrum 1 weight 0.10000E+01 volume 0.36104E-01 ppm1 0.558 ppm2 0.790 CV 1 ASSI { 18} ( segid " A" and resid 285 and name HB% ) (( segid " A" and resid 285 and name HN )) 2.400 0.700 0.700 peak 18 spectrum 1 weight 0.10000E+01 volume 0.10994E-01 ppm1 1.525 ppm2 7.764 CV 1 ASSI { 19} ( segid " A" and resid 285 and name HB% ) (( segid " A" and resid 285 and name HA )) 2.400 0.700 0.700 peak 19 spectrum 1 weight 0.10000E+01 volume 0.96795E-02 ppm1 1.525 ppm2 4.743 CV 1 ASSI { 20} (( segid " A" and resid 271 and name HA )) (( segid " A" and resid 272 and name HN )) 2.800 1.000 1.000 peak 20 spectrum 1 weight 0.10000E+01 volume 0.19758E-02 ppm1 4.436 ppm2 9.173 CV 1 ASSI { 21} (( segid " A" and resid 107 and name HA )) (( segid " A" and resid 107 and name HN )) 2.900 1.000 1.000 peak 21 spectrum 1 weight 0.10000E+01 volume 0.39950E-02 ppm1 3.939 ppm2 7.815 CV 1 ASSI { 23} ( segid " A" and resid 107 and name HB% ) (( segid " A" and resid 107 and name HN )) 2.500 0.800 0.800 peak 23 spectrum 1 weight 0.10000E+01 volume 0.66191E-02 ppm1 1.484 ppm2 7.822 CV 1 ASSI { 24} ( segid " A" and resid 107 and name HB% ) (( segid " A" and resid 107 and name HA )) 2.100 0.500 0.500 peak 24 spectrum 1 weight 0.10000E+01 volume 0.19284E-01 ppm1 1.484 ppm2 3.951 CV 1 ASSI { 25} (( segid " A" and resid 284 and name HB1 )) (( segid " A" and resid 284 and name HN )) 3.500 1.500 1.500 peak 25 spectrum 1 weight 0.10000E+01 volume 0.45734E-02 ppm1 1.847 ppm2 8.604 CV 1 ASSI { 26} (( segid " A" and resid 284 and name HB2 )) (( segid " A" and resid 284 and name HN )) 2.600 0.900 0.900 peak 26 spectrum 1 weight 0.10000E+01 volume 0.43662E-02 ppm1 2.001 ppm2 8.605 CV 1 ASSI { 27} (( segid " A" and resid 284 and name HB1 )) (( segid " A" and resid 284 and name HA )) 2.300 0.700 0.700 peak 27 spectrum 1 weight 0.10000E+01 volume 0.79808E-02 ppm1 1.836 ppm2 4.433 CV 1 ASSI { 28} (( segid " A" and resid 284 and name HB2 )) (( segid " A" and resid 284 and name HA )) 2.900 1.100 1.100 peak 28 spectrum 1 weight 0.10000E+01 volume 0.59475E-02 ppm1 2.007 ppm2 4.431 CV 1 ASSI { 29} (( segid " A" and resid 284 and name HG1 )) (( segid " A" and resid 284 and name HN )) 2.600 0.800 0.800 peak 29 spectrum 1 weight 0.10000E+01 volume 0.56570E-02 ppm1 1.542 ppm2 8.605 CV 1 OR { 29} (( segid " A" and resid 284 and name HG2 )) (( segid " A" and resid 284 and name HN )) ASSI { 30} (( segid " A" and resid 284 and name HG2 )) (( segid " A" and resid 284 and name HA )) 2.700 0.900 0.900 peak 30 spectrum 1 weight 0.10000E+01 volume 0.43795E-02 ppm1 1.542 ppm2 4.440 CV 1 OR { 30} (( segid " A" and resid 284 and name HG1 )) (( segid " A" and resid 284 and name HA )) ASSI { 31} (( segid " A" and resid 284 and name HG2 )) (( segid " A" and resid 284 and name HB1 )) 2.400 0.700 0.700 peak 31 spectrum 1 weight 0.10000E+01 volume 0.10628E-01 ppm1 1.546 ppm2 1.861 CV 1 OR { 31} (( segid " A" and resid 284 and name HG1 )) (( segid " A" and resid 284 and name HB1 )) ASSI { 32} (( segid " A" and resid 284 and name HG1 )) (( segid " A" and resid 284 and name HB2 )) 2.400 0.700 0.700 peak 32 spectrum 1 weight 0.10000E+01 volume 0.10994E-01 ppm1 1.544 ppm2 2.001 CV 1 OR { 32} (( segid " A" and resid 284 and name HG2 )) (( segid " A" and resid 284 and name HB2 )) ASSI { 34} (( segid " A" and resid 284 and name HE2 )) (( segid " A" and resid 284 and name HN )) 2.800 2.800 3.200 peak 34 spectrum 1 weight 0.10000E+01 volume 0.19708E-02 ppm1 2.991 ppm2 8.602 CV 1 OR { 34} (( segid " A" and resid 284 and name HE1 )) (( segid " A" and resid 284 and name HN )) ASSI { 35} (( segid " A" and resid 284 and name HE2 )) (( segid " A" and resid 284 and name HB2 )) 3.100 1.200 1.200 peak 35 spectrum 1 weight 0.10000E+01 volume 0.66283E-02 ppm1 2.996 ppm2 2.001 CV 1 OR { 35} (( segid " A" and resid 284 and name HE1 )) (( segid " A" and resid 284 and name HB2 )) OR { 35} (( segid " A" and resid 273 and name HB2 )) (( segid " A" and resid 275 and name HB2 )) ASSI { 36} (( segid " A" and resid 284 and name HE2 )) (( segid " A" and resid 284 and name HD1 )) 1.700 0.400 0.500 peak 36 spectrum 1 weight 0.10000E+01 volume 0.97627E-01 ppm1 2.997 ppm2 1.734 CV 1 OR { 36} (( segid " A" and resid 284 and name HE1 )) (( segid " A" and resid 284 and name HD1 )) OR { 36} (( segid " A" and resid 284 and name HE1 )) (( segid " A" and resid 284 and name HD2 )) OR { 36} (( segid " A" and resid 284 and name HE2 )) (( segid " A" and resid 284 and name HD2 )) ASSI { 37} (( segid " A" and resid 284 and name HB2 )) (( segid " A" and resid 284 and name HE2 )) 4.000 2.000 2.000 peak 37 spectrum 1 weight 0.10000E+01 volume 0.14540E-02 ppm1 2.006 ppm2 2.997 CV 1 OR { 37} (( segid " A" and resid 284 and name HB2 )) (( segid " A" and resid 284 and name HE1 )) ASSI { 38} (( segid " A" and resid 284 and name HG2 )) (( segid " A" and resid 284 and name HE1 )) 3.000 1.100 1.100 peak 38 spectrum 1 weight 0.10000E+01 volume 0.50353E-02 ppm1 1.544 ppm2 2.998 CV 1 OR { 38} (( segid " A" and resid 284 and name HG2 )) (( segid " A" and resid 284 and name HE2 )) OR { 38} (( segid " A" and resid 284 and name HG1 )) (( segid " A" and resid 284 and name HE1 )) OR { 38} (( segid " A" and resid 284 and name HG1 )) (( segid " A" and resid 284 and name HE2 )) ASSI { 39} (( segid " A" and resid 284 and name HD1 )) (( segid " A" and resid 284 and name HN )) 3.800 1.800 1.800 peak 39 spectrum 1 weight 0.10000E+01 volume 0.38010E-02 ppm1 1.743 ppm2 8.605 CV 1 OR { 39} (( segid " A" and resid 284 and name HD2 )) (( segid " A" and resid 284 and name HN )) ASSI { 40} (( segid " A" and resid 284 and name HD1 )) (( segid " A" and resid 284 and name HA )) 3.600 1.600 1.600 peak 40 spectrum 1 weight 0.10000E+01 volume 0.60324E-02 ppm1 1.742 ppm2 4.442 CV 1 OR { 40} (( segid " A" and resid 284 and name HD2 )) (( segid " A" and resid 284 and name HA )) ASSI { 42} (( segid " A" and resid 284 and name HG1 )) (( segid " A" and resid 284 and name HD2 )) 1.900 0.500 0.500 peak 42 spectrum 1 weight 0.10000E+01 volume 0.34823E-01 ppm1 1.549 ppm2 1.747 CV 1 OR { 42} (( segid " A" and resid 284 and name HG2 )) (( segid " A" and resid 284 and name HD2 )) OR { 42} (( segid " A" and resid 284 and name HG1 )) (( segid " A" and resid 284 and name HD1 )) OR { 42} (( segid " A" and resid 284 and name HG2 )) (( segid " A" and resid 284 and name HD1 )) ASSI { 43} (( segid " A" and resid 283 and name HA2 )) (( segid " A" and resid 283 and name HN )) 3.000 1.100 1.100 peak 43 spectrum 1 weight 0.10000E+01 volume 0.31577E-02 ppm1 4.035 ppm2 9.049 CV 1 ASSI { 44} (( segid " A" and resid 283 and name HA2 )) (( segid " A" and resid 283 and name HA1 )) 1.900 0.500 0.500 peak 44 spectrum 1 weight 0.10000E+01 volume 0.13083E-01 ppm1 4.034 ppm2 4.597 CV 1 ASSI { 45} (( segid " A" and resid 282 and name HA )) (( segid " A" and resid 283 and name HN )) 2.200 0.600 0.600 peak 45 spectrum 1 weight 0.10000E+01 volume 0.10270E-01 ppm1 5.383 ppm2 9.045 CV 1 ASSI { 46} (( segid " A" and resid 282 and name HA )) (( segid " A" and resid 282 and name HN )) 3.100 1.200 1.200 peak 46 spectrum 1 weight 0.10000E+01 volume 0.19500E-02 ppm1 5.384 ppm2 8.759 CV 1 ASSI { 47} (( segid " A" and resid 282 and name HA )) (( segid " A" and resid 282 and name HB )) 2.800 1.000 1.000 peak 47 spectrum 1 weight 0.10000E+01 volume 0.26974E-02 ppm1 5.391 ppm2 1.809 CV 1 ASSI { 48} (( segid " A" and resid 282 and name HA )) ( segid " A" and resid 282 and name HG2%) 2.200 0.600 0.600 peak 48 spectrum 1 weight 0.10000E+01 volume 0.14939E-01 ppm1 5.387 ppm2 1.022 CV 1 ASSI { 49} (( segid " A" and resid 282 and name HA )) ( segid " A" and resid 282 and name HG1%) 2.700 0.900 0.900 peak 49 spectrum 1 weight 0.10000E+01 volume 0.12842E-01 ppm1 5.391 ppm2 0.998 CV 1 ASSI { 50} (( segid " A" and resid 282 and name HB )) (( segid " A" and resid 282 and name HN )) 2.800 1.000 1.000 peak 50 spectrum 1 weight 0.10000E+01 volume 0.39242E-02 ppm1 1.806 ppm2 8.758 CV 1 ASSI { 52} (( segid " A" and resid 282 and name HB )) ( segid " A" and resid 282 and name HG2%) 2.000 0.500 0.500 peak 52 spectrum 1 weight 0.10000E+01 volume 0.17594E-01 ppm1 1.804 ppm2 1.026 CV 1 ASSI { 53} (( segid " A" and resid 282 and name HB )) ( segid " A" and resid 282 and name HG1%) 2.100 0.500 0.500 peak 53 spectrum 1 weight 0.10000E+01 volume 0.17594E-01 ppm1 1.802 ppm2 1.015 CV 1 ASSI { 54} ( segid " A" and resid 282 and name HG1%) (( segid " A" and resid 282 and name HN )) 2.500 0.800 0.800 peak 54 spectrum 1 weight 0.10000E+01 volume 0.59575E-02 ppm1 1.011 ppm2 8.760 CV 1 ASSI { 55} ( segid " A" and resid 185 and name HG1%) (( segid " A" and resid 185 and name HA )) 2.400 0.700 0.700 peak 55 spectrum 1 weight 0.10000E+01 volume 0.12934E-01 ppm1 1.003 ppm2 5.369 CV 1 OR { 55} ( segid " A" and resid 185 and name HG2%) (( segid " A" and resid 185 and name HA )) ASSI { 58} ( segid " A" and resid 282 and name HG2%) (( segid " A" and resid 282 and name HN )) 3.800 1.800 1.800 peak 58 spectrum 1 weight 0.10000E+01 volume 0.30495E-02 ppm1 1.046 ppm2 8.759 CV 1 ASSI { 61} (( segid " A" and resid 281 and name HA )) (( segid " A" and resid 281 and name HN )) 3.000 1.100 1.100 peak 61 spectrum 1 weight 0.10000E+01 volume 0.21490E-02 ppm1 5.248 ppm2 7.753 CV 1 ASSI { 62} (( segid " A" and resid 281 and name HA )) (( segid " A" and resid 281 and name HB1 )) 2.600 0.800 0.800 peak 62 spectrum 1 weight 0.10000E+01 volume 0.53557E-02 ppm1 5.245 ppm2 1.756 CV 1 OR { 62} (( segid " A" and resid 281 and name HA )) (( segid " A" and resid 281 and name HB2 )) ASSI { 63} (( segid " A" and resid 281 and name HB2 )) (( segid " A" and resid 281 and name HN )) 3.100 1.200 1.200 peak 63 spectrum 1 weight 0.10000E+01 volume 0.17936E-02 ppm1 1.757 ppm2 7.764 CV 1 OR { 63} (( segid " A" and resid 281 and name HB1 )) (( segid " A" and resid 281 and name HN )) ASSI { 65} (( segid " A" and resid 280 and name HB1 )) (( segid " A" and resid 280 and name HN )) 4.100 2.100 1.900 peak 65 spectrum 1 weight 0.10000E+01 volume 0.17936E-02 ppm1 1.362 ppm2 9.170 CV 1 ASSI { 66} (( segid " A" and resid 280 and name HB2 )) (( segid " A" and resid 280 and name HN )) 2.700 0.900 0.900 peak 66 spectrum 1 weight 0.10000E+01 volume 0.28414E-02 ppm1 2.315 ppm2 9.164 CV 1 ASSI { 67} (( segid " A" and resid 280 and name HB1 )) (( segid " A" and resid 280 and name HA )) 2.700 0.900 0.900 peak 67 spectrum 1 weight 0.10000E+01 volume 0.29263E-02 ppm1 1.367 ppm2 4.448 CV 1 ASSI { 68} (( segid " A" and resid 280 and name HB2 )) (( segid " A" and resid 280 and name HA )) 3.300 1.300 1.300 peak 68 spectrum 1 weight 0.10000E+01 volume 0.24969E-02 ppm1 2.314 ppm2 4.449 CV 1 ASSI { 69} (( segid " A" and resid 280 and name HB1 )) (( segid " A" and resid 280 and name HB2 )) 2.100 0.500 0.500 peak 69 spectrum 1 weight 0.10000E+01 volume 0.53757E-02 ppm1 1.361 ppm2 2.307 CV 1 ASSI { 71} (( segid " A" and resid 279 and name HB1 )) (( segid " A" and resid 279 and name HN )) 4.300 2.300 1.700 peak 71 spectrum 1 weight 0.10000E+01 volume 0.16146E-02 ppm1 2.568 ppm2 8.165 CV 1 ASSI { 72} (( segid " A" and resid 279 and name HB2 )) (( segid " A" and resid 279 and name HN )) 2.900 1.100 1.100 peak 72 spectrum 1 weight 0.10000E+01 volume 0.21257E-02 ppm1 2.733 ppm2 8.160 CV 1 ASSI { 73} (( segid " A" and resid 279 and name HB1 )) (( segid " A" and resid 279 and name HB2 )) 2.000 0.500 0.500 peak 73 spectrum 1 weight 0.10000E+01 volume 0.80374E-02 ppm1 2.564 ppm2 2.728 CV 1 ASSI { 75} (( segid " A" and resid 278 and name HA )) (( segid " A" and resid 278 and name HN )) 3.300 1.400 1.400 peak 75 spectrum 1 weight 0.10000E+01 volume 0.19284E-02 ppm1 4.382 ppm2 7.210 CV 1 ASSI { 76} (( segid " A" and resid 278 and name HA )) (( segid " A" and resid 278 and name HB1 )) 3.100 1.200 1.200 peak 76 spectrum 1 weight 0.10000E+01 volume 0.20790E-02 ppm1 4.384 ppm2 1.991 CV 1 ASSI { 77} (( segid " A" and resid 278 and name HA )) (( segid " A" and resid 278 and name HB2 )) 3.500 1.500 1.500 peak 77 spectrum 1 weight 0.10000E+01 volume 0.29787E-02 ppm1 4.379 ppm2 2.127 CV 1 ASSI { 80} (( segid " A" and resid 278 and name HB1 )) (( segid " A" and resid 278 and name HN )) 3.900 1.900 1.900 peak 80 spectrum 1 weight 0.10000E+01 volume 0.31768E-02 ppm1 1.989 ppm2 7.211 CV 1 ASSI { 81} (( segid " A" and resid 278 and name HB2 )) (( segid " A" and resid 278 and name HE21)) 3.100 1.200 1.200 peak 81 spectrum 1 weight 0.10000E+01 volume 0.26142E-02 ppm1 2.125 ppm2 6.914 CV 1 ASSI { 82} (( segid " A" and resid 278 and name HB2 )) (( segid " A" and resid 278 and name HE22)) 4.400 2.400 1.600 peak 82 spectrum 1 weight 0.10000E+01 volume 0.12784E-02 ppm1 2.125 ppm2 6.793 CV 1 ASSI { 83} (( segid " A" and resid 278 and name HB1 )) (( segid " A" and resid 278 and name HE21)) 3.100 1.200 1.200 peak 83 spectrum 1 weight 0.10000E+01 volume 0.33757E-02 ppm1 1.987 ppm2 6.902 CV 1 OR { 83} (( segid " A" and resid 270 and name HB2 )) (( segid " A" and resid 229 and name HZ )) ASSI { 84} (( segid " A" and resid 278 and name HB1 )) (( segid " A" and resid 278 and name HE22)) 4.000 2.000 2.000 peak 84 spectrum 1 weight 0.10000E+01 volume 0.23728E-02 ppm1 1.990 ppm2 6.797 CV 1 ASSI { 85} (( segid " A" and resid 111 and name HB2 )) (( segid " A" and resid 112 and name HN )) 3.000 1.100 1.100 peak 85 spectrum 1 weight 0.10000E+01 volume 0.25468E-02 ppm1 2.278 ppm2 7.228 CV 1 OR { 85} (( segid " A" and resid 111 and name HB1 )) (( segid " A" and resid 112 and name HN )) ASSI { 86} (( segid " A" and resid 278 and name HG1 )) (( segid " A" and resid 278 and name HE21)) 3.200 1.300 1.300 peak 86 spectrum 1 weight 0.10000E+01 volume 0.17228E-02 ppm1 2.283 ppm2 6.935 CV 1 ASSI { 87} (( segid " A" and resid 278 and name HG2 )) (( segid " A" and resid 278 and name HE21)) 3.400 1.500 1.500 peak 87 spectrum 1 weight 0.10000E+01 volume 0.21157E-02 ppm1 2.369 ppm2 6.936 CV 1 ASSI { 88} (( segid " A" and resid 278 and name HG1 )) (( segid " A" and resid 278 and name HE22)) 4.700 2.800 1.300 peak 88 spectrum 1 weight 0.10000E+01 volume 0.86641E-03 ppm1 2.283 ppm2 6.797 CV 1 ASSI { 89} (( segid " A" and resid 278 and name HG2 )) (( segid " A" and resid 278 and name HE22)) 4.600 2.700 1.400 peak 89 spectrum 1 weight 0.10000E+01 volume 0.10379E-02 ppm1 2.374 ppm2 6.799 CV 1 ASSI { 90} (( segid " A" and resid 278 and name HG1 )) (( segid " A" and resid 278 and name HA )) 3.200 1.300 1.300 peak 90 spectrum 1 weight 0.10000E+01 volume 0.44735E-02 ppm1 2.278 ppm2 4.383 CV 1 ASSI { 91} (( segid " A" and resid 278 and name HG2 )) (( segid " A" and resid 278 and name HA )) 2.700 0.900 0.900 peak 91 spectrum 1 weight 0.10000E+01 volume 0.46408E-02 ppm1 2.367 ppm2 4.386 CV 1 ASSI { 92} (( segid " A" and resid 278 and name HG1 )) (( segid " A" and resid 278 and name HB1 )) 2.900 1.000 1.000 peak 92 spectrum 1 weight 0.10000E+01 volume 0.10736E-01 ppm1 2.283 ppm2 1.987 CV 1 ASSI { 93} (( segid " A" and resid 278 and name HG1 )) (( segid " A" and resid 278 and name HB2 )) 2.300 0.700 0.700 peak 93 spectrum 1 weight 0.10000E+01 volume 0.12801E-01 ppm1 2.281 ppm2 2.130 CV 1 OR { 93} (( segid " A" and resid 111 and name HB2 )) (( segid " A" and resid 163 and name HB2 )) OR { 93} (( segid " A" and resid 111 and name HB1 )) (( segid " A" and resid 163 and name HB2 )) ASSI { 94} (( segid " A" and resid 277 and name HA1 )) (( segid " A" and resid 277 and name HN )) 3.300 1.400 1.400 peak 94 spectrum 1 weight 0.10000E+01 volume 0.37677E-02 ppm1 3.596 ppm2 8.364 CV 1 ASSI { 95} (( segid " A" and resid 277 and name HA2 )) (( segid " A" and resid 277 and name HN )) 2.800 1.000 1.000 peak 95 spectrum 1 weight 0.10000E+01 volume 0.44061E-02 ppm1 4.066 ppm2 8.364 CV 1 ASSI { 96} (( segid " A" and resid 275 and name HB1 )) (( segid " A" and resid 275 and name HN )) 3.000 1.200 1.200 peak 96 spectrum 1 weight 0.10000E+01 volume 0.16354E-02 ppm1 1.458 ppm2 8.356 CV 1 ASSI { 97} (( segid " A" and resid 275 and name HB2 )) (( segid " A" and resid 275 and name HN )) 3.300 1.300 1.300 peak 97 spectrum 1 weight 0.10000E+01 volume 0.20691E-02 ppm1 2.013 ppm2 8.354 CV 1 ASSI { 98} (( segid " A" and resid 275 and name HB2 )) (( segid " A" and resid 275 and name HA )) 2.900 1.000 1.000 peak 98 spectrum 1 weight 0.10000E+01 volume 0.17062E-02 ppm1 2.011 ppm2 4.703 CV 1 ASSI { 99} (( segid " A" and resid 275 and name HB1 )) (( segid " A" and resid 275 and name HA )) 3.300 1.300 1.300 peak 99 spectrum 1 weight 0.10000E+01 volume 0.22896E-02 ppm1 1.457 ppm2 4.699 CV 1 ASSI { 100} (( segid " A" and resid 275 and name HB1 )) (( segid " A" and resid 275 and name HB2 )) 1.800 0.400 0.400 peak 100 spectrum 1 weight 0.10000E+01 volume 0.86391E-02 ppm1 1.460 ppm2 2.009 CV 1 ASSI { 105} (( segid " A" and resid 275 and name HB2 )) ( segid " A" and resid 275 and name HD1%) 2.500 0.800 0.800 peak 105 spectrum 1 weight 0.10000E+01 volume 0.61081E-02 ppm1 2.010 ppm2 1.084 CV 1 ASSI { 106} (( segid " A" and resid 275 and name HB2 )) (( segid " A" and resid 275 and name HG )) 2.800 1.000 1.000 peak 106 spectrum 1 weight 0.10000E+01 volume 0.48614E-02 ppm1 2.012 ppm2 1.562 CV 1 ASSI { 107} (( segid " A" and resid 275 and name HB1 )) (( segid " A" and resid 275 and name HG )) 2.200 0.600 0.600 peak 107 spectrum 1 weight 0.10000E+01 volume 0.87723E-02 ppm1 1.456 ppm2 1.561 CV 1 ASSI { 111} (( segid " A" and resid 275 and name HG )) (( segid " A" and resid 275 and name HA )) 3.100 1.200 1.200 peak 111 spectrum 1 weight 0.10000E+01 volume 0.30919E-02 ppm1 1.582 ppm2 4.723 CV 1 ASSI { 112} ( segid " A" and resid 275 and name HD1%) (( segid " A" and resid 275 and name HN )) 4.200 2.200 1.800 peak 112 spectrum 1 weight 0.10000E+01 volume 0.23862E-02 ppm1 1.099 ppm2 8.355 CV 1 OR { 112} ( segid " A" and resid 275 and name HD1%) (( segid " A" and resid 277 and name HN )) ASSI { 113} ( segid " A" and resid 275 and name HD1%) (( segid " A" and resid 275 and name HA )) 2.300 0.600 0.600 peak 113 spectrum 1 weight 0.10000E+01 volume 0.14240E-01 ppm1 1.095 ppm2 4.730 CV 1 ASSI { 114} ( segid " A" and resid 287 and name HG2%) ( segid " A" and resid 111 and name HE% ) 2.300 0.600 0.600 peak 114 spectrum 1 weight 0.10000E+01 volume 0.17195E-01 ppm1 1.089 ppm2 1.984 CV 1 ASSI { 115} ( segid " A" and resid 275 and name HD1%) (( segid " A" and resid 275 and name HB2 )) 2.300 0.700 0.700 peak 115 spectrum 1 weight 0.10000E+01 volume 0.10520E-01 ppm1 1.093 ppm2 2.005 CV 1 OR { 115} ( segid " A" and resid 287 and name HG2%) (( segid " A" and resid 163 and name HG1 )) ASSI { 116} ( segid " A" and resid 275 and name HD1%) (( segid " A" and resid 275 and name HG )) 2.100 0.600 0.600 peak 116 spectrum 1 weight 0.10000E+01 volume 0.18885E-01 ppm1 1.099 ppm2 1.573 CV 1 ASSI { 117} ( segid " A" and resid 275 and name HD1%) (( segid " A" and resid 275 and name HB1 )) 2.800 1.000 1.000 peak 117 spectrum 1 weight 0.10000E+01 volume 0.12592E-01 ppm1 1.097 ppm2 1.465 CV 1 ASSI { 118} ( segid " A" and resid 275 and name HD2%) (( segid " A" and resid 275 and name HN )) 4.500 2.500 1.500 peak 118 spectrum 1 weight 0.10000E+01 volume 0.16071E-02 ppm1 0.976 ppm2 8.351 CV 1 ASSI { 119} ( segid " A" and resid 275 and name HD2%) (( segid " A" and resid 275 and name HA )) 3.800 1.800 1.800 peak 119 spectrum 1 weight 0.10000E+01 volume 0.32151E-02 ppm1 0.977 ppm2 4.700 CV 1 ASSI { 120} ( segid " A" and resid 275 and name HD2%) (( segid " A" and resid 275 and name HB2 )) 2.400 0.700 0.700 peak 120 spectrum 1 weight 0.10000E+01 volume 0.93382E-02 ppm1 0.979 ppm2 2.009 CV 1 ASSI { 121} ( segid " A" and resid 275 and name HD2%) (( segid " A" and resid 275 and name HG )) 2.100 0.500 0.500 peak 121 spectrum 1 weight 0.10000E+01 volume 0.18885E-01 ppm1 0.980 ppm2 1.564 CV 1 ASSI { 122} ( segid " A" and resid 275 and name HD2%) (( segid " A" and resid 275 and name HB1 )) 2.300 0.700 0.700 peak 122 spectrum 1 weight 0.10000E+01 volume 0.10845E-01 ppm1 0.974 ppm2 1.467 CV 1 ASSI { 123} (( segid " A" and resid 274 and name HA )) (( segid " A" and resid 274 and name HN )) 3.300 1.400 1.400 peak 123 spectrum 1 weight 0.10000E+01 volume 0.16329E-02 ppm1 4.328 ppm2 7.732 CV 1 ASSI { 126} (( segid " A" and resid 274 and name HB1 )) (( segid " A" and resid 274 and name HN )) 2.700 0.900 0.900 peak 126 spectrum 1 weight 0.10000E+01 volume 0.51019E-02 ppm1 2.103 ppm2 7.732 CV 1 ASSI { 127} (( segid " A" and resid 274 and name HB2 )) (( segid " A" and resid 274 and name HN )) 3.100 1.200 1.200 peak 127 spectrum 1 weight 0.10000E+01 volume 0.51152E-02 ppm1 2.449 ppm2 7.730 CV 1 ASSI { 128} (( segid " A" and resid 274 and name HB1 )) (( segid " A" and resid 274 and name HA )) 3.000 1.100 1.100 peak 128 spectrum 1 weight 0.10000E+01 volume 0.41523E-02 ppm1 2.103 ppm2 4.340 CV 1 ASSI { 129} (( segid " A" and resid 274 and name HB2 )) (( segid " A" and resid 274 and name HA )) 2.800 1.000 1.000 peak 129 spectrum 1 weight 0.10000E+01 volume 0.33899E-02 ppm1 2.450 ppm2 4.341 CV 1 ASSI { 130} (( segid " A" and resid 274 and name HB1 )) (( segid " A" and resid 274 and name HB2 )) 2.000 0.500 0.500 peak 130 spectrum 1 weight 0.10000E+01 volume 0.13882E-01 ppm1 2.104 ppm2 2.449 CV 1 ASSI { 132} (( segid " A" and resid 273 and name HA )) (( segid " A" and resid 273 and name HN )) 2.600 0.900 0.900 peak 132 spectrum 1 weight 0.10000E+01 volume 0.70727E-02 ppm1 4.358 ppm2 7.725 CV 1 ASSI { 134} (( segid " A" and resid 273 and name HA )) (( segid " A" and resid 273 and name HB2 )) 3.000 1.100 1.100 peak 134 spectrum 1 weight 0.10000E+01 volume 0.18959E-02 ppm1 4.356 ppm2 3.003 CV 1 ASSI { 135} (( segid " A" and resid 273 and name HB2 )) (( segid " A" and resid 273 and name HN )) 2.700 0.900 0.900 peak 135 spectrum 1 weight 0.10000E+01 volume 0.56837E-02 ppm1 3.006 ppm2 7.709 CV 1 ASSI { 136} (( segid " A" and resid 273 and name HB1 )) (( segid " A" and resid 273 and name HN )) 2.600 0.900 0.900 peak 136 spectrum 1 weight 0.10000E+01 volume 0.42729E-02 ppm1 3.159 ppm2 7.712 CV 1 ASSI { 137} (( segid " A" and resid 273 and name HB1 )) (( segid " A" and resid 273 and name HA )) 3.200 1.300 1.300 peak 137 spectrum 1 weight 0.10000E+01 volume 0.32900E-02 ppm1 3.159 ppm2 4.363 CV 1 ASSI { 138} (( segid " A" and resid 272 and name HA )) (( segid " A" and resid 272 and name HN )) 2.300 0.700 0.700 peak 138 spectrum 1 weight 0.10000E+01 volume 0.63828E-02 ppm1 3.905 ppm2 9.174 CV 1 ASSI { 140} (( segid " A" and resid 272 and name HA )) (( segid " A" and resid 272 and name HB1 )) 2.500 0.800 0.800 peak 140 spectrum 1 weight 0.10000E+01 volume 0.52018E-02 ppm1 3.906 ppm2 1.527 CV 1 ASSI { 142} (( segid " A" and resid 272 and name HB2 )) (( segid " A" and resid 272 and name HN )) 3.600 1.600 1.600 peak 142 spectrum 1 weight 0.10000E+01 volume 0.16804E-02 ppm1 2.035 ppm2 9.173 CV 1 ASSI { 143} (( segid " A" and resid 272 and name HB1 )) (( segid " A" and resid 272 and name HN )) 4.200 2.200 1.800 peak 143 spectrum 1 weight 0.10000E+01 volume 0.15714E-02 ppm1 1.540 ppm2 9.172 CV 1 ASSI { 145} (( segid " A" and resid 272 and name HB2 )) (( segid " A" and resid 272 and name HA )) 3.000 1.100 1.100 peak 145 spectrum 1 weight 0.10000E+01 volume 0.46808E-02 ppm1 2.030 ppm2 3.897 CV 1 ASSI { 147} (( segid " A" and resid 272 and name HB2 )) (( segid " A" and resid 272 and name HB1 )) 1.700 0.300 0.500 peak 147 spectrum 1 weight 0.10000E+01 volume 0.29995E-01 ppm1 2.036 ppm2 1.529 CV 1 ASSI { 148} (( segid " A" and resid 272 and name HB1 )) ( segid " A" and resid 272 and name HD1%) 2.600 0.800 0.800 peak 148 spectrum 1 weight 0.10000E+01 volume 0.97044E-02 ppm1 1.541 ppm2 0.807 CV 1 ASSI { 149} (( segid " A" and resid 272 and name HB1 )) ( segid " A" and resid 272 and name HD2%) 2.600 0.900 0.900 peak 149 spectrum 1 weight 0.10000E+01 volume 0.67706E-02 ppm1 1.541 ppm2 0.713 CV 1 ASSI { 153} ( segid " A" and resid 272 and name HD2%) (( segid " A" and resid 272 and name HN )) 2.800 1.000 1.000 peak 153 spectrum 1 weight 0.10000E+01 volume 0.88388E-02 ppm1 0.713 ppm2 9.168 CV 1 ASSI { 154} ( segid " A" and resid 272 and name HD2%) (( segid " A" and resid 272 and name HA )) 2.100 0.500 0.500 peak 154 spectrum 1 weight 0.10000E+01 volume 0.16529E-01 ppm1 0.711 ppm2 3.903 CV 1 ASSI { 155} ( segid " A" and resid 272 and name HD2%) (( segid " A" and resid 272 and name HB2 )) 3.100 1.200 1.200 peak 155 spectrum 1 weight 0.10000E+01 volume 0.12576E-01 ppm1 0.713 ppm2 2.031 CV 1 ASSI { 156} ( segid " A" and resid 272 and name HD2%) (( segid " A" and resid 272 and name HG )) 2.000 0.500 0.500 peak 156 spectrum 1 weight 0.10000E+01 volume 0.34340E-01 ppm1 0.713 ppm2 1.524 CV 1 OR { 156} ( segid " A" and resid 272 and name HD2%) (( segid " A" and resid 272 and name HB1 )) ASSI { 157} (( segid " A" and resid 272 and name HG )) (( segid " A" and resid 272 and name HN )) 3.200 1.200 1.200 peak 157 spectrum 1 weight 0.10000E+01 volume 0.19284E-02 ppm1 1.506 ppm2 9.167 CV 1 ASSI { 158} (( segid " A" and resid 272 and name HG )) (( segid " A" and resid 272 and name HA )) 3.000 1.100 1.100 peak 158 spectrum 1 weight 0.10000E+01 volume 0.44602E-02 ppm1 1.509 ppm2 3.920 CV 1 ASSI { 159} (( segid " A" and resid 272 and name HG )) (( segid " A" and resid 272 and name HB2 )) 2.300 0.600 0.600 peak 159 spectrum 1 weight 0.10000E+01 volume 0.11261E-01 ppm1 1.504 ppm2 2.031 CV 1 ASSI { 160} ( segid " A" and resid 272 and name HD1%) (( segid " A" and resid 272 and name HN )) 4.500 2.600 1.500 peak 160 spectrum 1 weight 0.10000E+01 volume 0.21822E-02 ppm1 0.806 ppm2 9.176 CV 1 ASSI { 161} ( segid " A" and resid 272 and name HD1%) (( segid " A" and resid 272 and name HB2 )) 2.300 0.600 0.600 peak 161 spectrum 1 weight 0.10000E+01 volume 0.23004E-01 ppm1 0.808 ppm2 2.035 CV 1 ASSI { 162} (( segid " A" and resid 271 and name HB1 )) (( segid " A" and resid 271 and name HN )) 2.800 1.000 1.000 peak 162 spectrum 1 weight 0.10000E+01 volume 0.43262E-02 ppm1 2.857 ppm2 7.499 CV 1 ASSI { 163} (( segid " A" and resid 271 and name HB2 )) (( segid " A" and resid 271 and name HN )) 2.800 1.000 1.000 peak 163 spectrum 1 weight 0.10000E+01 volume 0.43995E-02 ppm1 2.967 ppm2 7.499 CV 1 ASSI { 164} (( segid " A" and resid 271 and name HB1 )) (( segid " A" and resid 271 and name HD21)) 2.700 0.900 0.900 peak 164 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 2.854 ppm2 7.851 CV 1 ASSI { 165} (( segid " A" and resid 271 and name HB2 )) (( segid " A" and resid 271 and name HD21)) 3.100 1.200 1.200 peak 165 spectrum 1 weight 0.10000E+01 volume 0.30919E-02 ppm1 2.965 ppm2 7.846 CV 1 ASSI { 166} (( segid " A" and resid 271 and name HB1 )) (( segid " A" and resid 271 and name HD22)) 4.200 2.200 1.800 peak 166 spectrum 1 weight 0.10000E+01 volume 0.18036E-02 ppm1 2.857 ppm2 6.424 CV 1 ASSI { 167} (( segid " A" and resid 271 and name HB2 )) (( segid " A" and resid 271 and name HD22)) 4.200 2.200 1.800 peak 167 spectrum 1 weight 0.10000E+01 volume 0.16596E-02 ppm1 2.975 ppm2 6.432 CV 1 ASSI { 168} (( segid " A" and resid 271 and name HB2 )) (( segid " A" and resid 271 and name HA )) 2.500 0.800 0.800 peak 168 spectrum 1 weight 0.10000E+01 volume 0.52758E-02 ppm1 2.971 ppm2 4.458 CV 1 ASSI { 169} (( segid " A" and resid 271 and name HB1 )) (( segid " A" and resid 271 and name HA )) 3.100 1.200 1.200 peak 169 spectrum 1 weight 0.10000E+01 volume 0.42596E-02 ppm1 2.874 ppm2 4.456 CV 1 ASSI { 171} (( segid " A" and resid 271 and name HB2 )) (( segid " A" and resid 271 and name HB1 )) 1.700 0.300 0.500 peak 171 spectrum 1 weight 0.10000E+01 volume 0.28447E-01 ppm1 2.970 ppm2 2.877 CV 1 ASSI { 172} (( segid " A" and resid 270 and name HA )) (( segid " A" and resid 270 and name HN )) 3.500 1.500 1.500 peak 172 spectrum 1 weight 0.10000E+01 volume 0.89887E-03 ppm1 4.888 ppm2 7.856 CV 1 ASSI { 173} (( segid " A" and resid 269 and name HB2 )) (( segid " A" and resid 269 and name HN )) 2.800 1.000 1.000 peak 173 spectrum 1 weight 0.10000E+01 volume 0.33616E-02 ppm1 3.494 ppm2 7.499 CV 1 ASSI { 174} (( segid " A" and resid 269 and name HB1 )) (( segid " A" and resid 269 and name HN )) 3.500 1.500 1.500 peak 174 spectrum 1 weight 0.10000E+01 volume 0.36779E-02 ppm1 3.750 ppm2 7.488 CV 1 ASSI { 175} (( segid " A" and resid 269 and name HB2 )) (( segid " A" and resid 269 and name HA )) 3.300 1.400 1.400 peak 175 spectrum 1 weight 0.10000E+01 volume 0.32334E-02 ppm1 3.495 ppm2 4.571 CV 1 ASSI { 176} (( segid " A" and resid 269 and name HB1 )) (( segid " A" and resid 269 and name HA )) 2.600 0.800 0.800 peak 176 spectrum 1 weight 0.10000E+01 volume 0.75272E-02 ppm1 3.752 ppm2 4.573 CV 1 ASSI { 178} (( segid " A" and resid 269 and name HB1 )) (( segid " A" and resid 269 and name HB2 )) 1.800 0.400 0.400 peak 178 spectrum 1 weight 0.10000E+01 volume 0.16363E-01 ppm1 3.752 ppm2 3.493 CV 1 ASSI { 179} (( segid " A" and resid 268 and name HA )) (( segid " A" and resid 268 and name HN )) 2.800 1.000 1.000 peak 179 spectrum 1 weight 0.10000E+01 volume 0.63545E-02 ppm1 4.205 ppm2 7.649 CV 1 ASSI { 180} (( segid " A" and resid 268 and name HA )) (( segid " A" and resid 268 and name HB2 )) 2.400 0.700 0.700 peak 180 spectrum 1 weight 0.10000E+01 volume 0.14673E-01 ppm1 4.204 ppm2 3.947 CV 1 OR { 180} (( segid " A" and resid 268 and name HA )) (( segid " A" and resid 268 and name HB1 )) ASSI { 181} (( segid " A" and resid 268 and name HB2 )) (( segid " A" and resid 268 and name HN )) 2.600 0.800 0.800 peak 181 spectrum 1 weight 0.10000E+01 volume 0.83178E-02 ppm1 3.941 ppm2 7.649 CV 1 OR { 181} (( segid " A" and resid 268 and name HB1 )) (( segid " A" and resid 268 and name HN )) ASSI { 183} (( segid " A" and resid 267 and name HA )) (( segid " A" and resid 267 and name HN )) 2.700 0.900 0.900 peak 183 spectrum 1 weight 0.10000E+01 volume 0.38626E-02 ppm1 3.436 ppm2 7.550 CV 1 ASSI { 185} (( segid " A" and resid 267 and name HA )) ( segid " A" and resid 267 and name HG1%) 2.200 0.600 0.600 peak 185 spectrum 1 weight 0.10000E+01 volume 0.18110E-01 ppm1 3.435 ppm2 0.989 CV 1 ASSI { 186} (( segid " A" and resid 267 and name HA )) ( segid " A" and resid 267 and name HG2%) 2.200 0.600 0.600 peak 186 spectrum 1 weight 0.10000E+01 volume 0.17012E-01 ppm1 3.436 ppm2 1.026 CV 1 ASSI { 187} (( segid " A" and resid 267 and name HB )) (( segid " A" and resid 267 and name HN )) 2.300 0.700 0.700 peak 187 spectrum 1 weight 0.10000E+01 volume 0.11128E-01 ppm1 2.062 ppm2 7.558 CV 1 ASSI { 188} (( segid " A" and resid 267 and name HB )) (( segid " A" and resid 267 and name HA )) 2.800 1.000 1.000 peak 188 spectrum 1 weight 0.10000E+01 volume 0.48414E-02 ppm1 2.062 ppm2 3.442 CV 1 ASSI { 189} (( segid " A" and resid 267 and name HB )) ( segid " A" and resid 267 and name HG1%) 2.000 0.500 0.500 peak 189 spectrum 1 weight 0.10000E+01 volume 0.26633E-01 ppm1 2.063 ppm2 0.983 CV 1 ASSI { 190} (( segid " A" and resid 267 and name HB )) ( segid " A" and resid 267 and name HG2%) 2.000 0.500 0.500 peak 190 spectrum 1 weight 0.10000E+01 volume 0.26217E-01 ppm1 2.061 ppm2 1.011 CV 1 ASSI { 191} ( segid " A" and resid 267 and name HG1%) (( segid " A" and resid 267 and name HN )) 3.700 1.700 1.700 peak 191 spectrum 1 weight 0.10000E+01 volume 0.53624E-02 ppm1 0.964 ppm2 7.552 CV 1 ASSI { 194} ( segid " A" and resid 267 and name HG2%) (( segid " A" and resid 267 and name HN )) 2.000 0.500 0.500 peak 194 spectrum 1 weight 0.10000E+01 volume 0.16279E-01 ppm1 1.006 ppm2 7.552 CV 1 ASSI { 197} (( segid " A" and resid 266 and name HA )) (( segid " A" and resid 266 and name HN )) 2.800 1.000 1.000 peak 197 spectrum 1 weight 0.10000E+01 volume 0.44327E-02 ppm1 2.327 ppm2 7.938 CV 1 ASSI { 198} (( segid " A" and resid 266 and name HA )) ( segid " A" and resid 266 and name HB% ) 2.300 0.600 0.600 peak 198 spectrum 1 weight 0.10000E+01 volume 0.13292E-01 ppm1 2.334 ppm2 1.338 CV 1 ASSI { 199} ( segid " A" and resid 266 and name HB% ) (( segid " A" and resid 266 and name HN )) 2.200 0.600 0.600 peak 199 spectrum 1 weight 0.10000E+01 volume 0.13899E-01 ppm1 1.339 ppm2 7.936 CV 1 ASSI { 201} (( segid " A" and resid 265 and name HA )) (( segid " A" and resid 265 and name HN )) 3.000 1.100 1.100 peak 201 spectrum 1 weight 0.10000E+01 volume 0.40041E-02 ppm1 4.261 ppm2 8.209 CV 1 ASSI { 202} (( segid " A" and resid 265 and name HA )) (( segid " A" and resid 265 and name HB2 )) 2.900 1.100 1.100 peak 202 spectrum 1 weight 0.10000E+01 volume 0.79899E-02 ppm1 4.262 ppm2 2.738 CV 1 ASSI { 203} (( segid " A" and resid 265 and name HA )) (( segid " A" and resid 265 and name HB1 )) 2.600 0.900 0.900 peak 203 spectrum 1 weight 0.10000E+01 volume 0.77918E-02 ppm1 4.264 ppm2 2.747 CV 1 ASSI { 204} (( segid " A" and resid 265 and name HB1 )) (( segid " A" and resid 265 and name HN )) 3.800 1.800 1.800 peak 204 spectrum 1 weight 0.10000E+01 volume 0.38010E-02 ppm1 2.745 ppm2 8.206 CV 1 ASSI { 205} (( segid " A" and resid 265 and name HB2 )) (( segid " A" and resid 265 and name HN )) 2.800 1.000 1.000 peak 205 spectrum 1 weight 0.10000E+01 volume 0.33092E-02 ppm1 2.720 ppm2 8.207 CV 1 ASSI { 208} (( segid " A" and resid 264 and name HA )) (( segid " A" and resid 264 and name HN )) 2.800 1.000 1.000 peak 208 spectrum 1 weight 0.10000E+01 volume 0.47607E-02 ppm1 3.936 ppm2 7.313 CV 1 ASSI { 210} (( segid " A" and resid 264 and name HA )) (( segid " A" and resid 264 and name HB1 )) 2.300 0.700 0.700 peak 210 spectrum 1 weight 0.10000E+01 volume 0.16529E-01 ppm1 3.937 ppm2 2.081 CV 1 OR { 210} (( segid " A" and resid 264 and name HA )) (( segid " A" and resid 264 and name HB2 )) ASSI { 211} (( segid " A" and resid 264 and name HB2 )) (( segid " A" and resid 264 and name HN )) 2.600 0.900 0.900 peak 211 spectrum 1 weight 0.10000E+01 volume 0.75172E-02 ppm1 2.085 ppm2 7.314 CV 1 OR { 211} (( segid " A" and resid 264 and name HB1 )) (( segid " A" and resid 264 and name HN )) ASSI { 213} (( segid " A" and resid 264 and name HB1 )) (( segid " A" and resid 264 and name HG2 )) 2.100 0.500 0.500 peak 213 spectrum 1 weight 0.10000E+01 volume 0.31469E-01 ppm1 2.084 ppm2 2.389 CV 1 OR { 213} (( segid " A" and resid 264 and name HB1 )) (( segid " A" and resid 264 and name HG1 )) OR { 213} (( segid " A" and resid 264 and name HB2 )) (( segid " A" and resid 264 and name HG1 )) OR { 213} (( segid " A" and resid 264 and name HB2 )) (( segid " A" and resid 264 and name HG2 )) ASSI { 214} (( segid " A" and resid 264 and name HG1 )) (( segid " A" and resid 264 and name HN )) 2.400 0.700 0.700 peak 214 spectrum 1 weight 0.10000E+01 volume 0.74131E-02 ppm1 2.374 ppm2 7.315 CV 1 OR { 214} (( segid " A" and resid 264 and name HG2 )) (( segid " A" and resid 264 and name HN )) ASSI { 215} (( segid " A" and resid 195 and name HG2 )) (( segid " A" and resid 195 and name HE21)) 3.000 1.200 1.200 peak 215 spectrum 1 weight 0.10000E+01 volume 0.26908E-02 ppm1 2.377 ppm2 6.567 CV 1 OR { 215} (( segid " A" and resid 195 and name HG1 )) (( segid " A" and resid 195 and name HE21)) ASSI { 216} (( segid " A" and resid 195 and name HG2 )) (( segid " A" and resid 195 and name HE22)) 3.700 1.700 1.700 peak 216 spectrum 1 weight 0.10000E+01 volume 0.42796E-02 ppm1 2.377 ppm2 7.912 CV 1 OR { 216} (( segid " A" and resid 195 and name HG1 )) (( segid " A" and resid 195 and name HE22)) ASSI { 217} (( segid " A" and resid 264 and name HG2 )) (( segid " A" and resid 264 and name HA )) 2.300 0.700 0.700 peak 217 spectrum 1 weight 0.10000E+01 volume 0.17411E-01 ppm1 2.374 ppm2 3.922 CV 1 OR { 217} (( segid " A" and resid 264 and name HG1 )) (( segid " A" and resid 264 and name HA )) ASSI { 218} (( segid " A" and resid 263 and name HA )) (( segid " A" and resid 263 and name HN )) 3.000 1.100 1.100 peak 218 spectrum 1 weight 0.10000E+01 volume 0.26974E-02 ppm1 3.719 ppm2 6.929 CV 1 ASSI { 219} (( segid " A" and resid 263 and name HB2 )) (( segid " A" and resid 263 and name HN )) 3.600 1.700 1.700 peak 219 spectrum 1 weight 0.10000E+01 volume 0.30254E-02 ppm1 3.756 ppm2 6.929 CV 1 ASSI { 220} (( segid " A" and resid 263 and name HB1 )) (( segid " A" and resid 263 and name HN )) 2.700 0.900 0.900 peak 220 spectrum 1 weight 0.10000E+01 volume 0.28614E-02 ppm1 3.846 ppm2 6.929 CV 1 ASSI { 221} (( segid " A" and resid 262 and name HA )) (( segid " A" and resid 262 and name HN )) 3.200 1.300 1.300 peak 221 spectrum 1 weight 0.10000E+01 volume 0.23462E-02 ppm1 4.012 ppm2 6.857 CV 1 ASSI { 222} (( segid " A" and resid 262 and name HA )) (( segid " A" and resid 262 and name HB1 )) 2.700 0.900 0.900 peak 222 spectrum 1 weight 0.10000E+01 volume 0.37253E-02 ppm1 4.014 ppm2 3.474 CV 1 ASSI { 223} (( segid " A" and resid 262 and name HA )) (( segid " A" and resid 262 and name HB2 )) 2.800 1.000 1.000 peak 223 spectrum 1 weight 0.10000E+01 volume 0.55297E-02 ppm1 4.015 ppm2 2.757 CV 1 ASSI { 224} (( segid " A" and resid 262 and name HB2 )) (( segid " A" and resid 262 and name HN )) 3.200 1.300 1.300 peak 224 spectrum 1 weight 0.10000E+01 volume 0.11777E-02 ppm1 2.786 ppm2 6.865 CV 1 ASSI { 225} (( segid " A" and resid 262 and name HB1 )) (( segid " A" and resid 262 and name HN )) 4.000 2.000 2.000 peak 225 spectrum 1 weight 0.10000E+01 volume 0.11977E-02 ppm1 3.479 ppm2 6.864 CV 1 ASSI { 226} (( segid " A" and resid 262 and name HB2 )) (( segid " A" and resid 262 and name HB1 )) 2.200 0.600 0.600 peak 226 spectrum 1 weight 0.10000E+01 volume 0.30586E-02 ppm1 2.788 ppm2 3.478 CV 1 ASSI { 228} (( segid " A" and resid 259 and name HB2 )) (( segid " A" and resid 259 and name HN )) 2.900 1.000 1.000 peak 228 spectrum 1 weight 0.10000E+01 volume 0.20183E-02 ppm1 1.893 ppm2 8.761 CV 1 ASSI { 229} (( segid " A" and resid 259 and name HB1 )) (( segid " A" and resid 259 and name HN )) 4.000 2.000 2.000 peak 229 spectrum 1 weight 0.10000E+01 volume 0.18768E-02 ppm1 2.028 ppm2 8.762 CV 1 ASSI { 230} (( segid " A" and resid 259 and name HB1 )) (( segid " A" and resid 259 and name HA )) 3.000 1.100 1.100 peak 230 spectrum 1 weight 0.10000E+01 volume 0.24136E-02 ppm1 2.027 ppm2 4.733 CV 1 ASSI { 231} (( segid " A" and resid 259 and name HB2 )) (( segid " A" and resid 259 and name HA )) 3.600 1.600 1.600 peak 231 spectrum 1 weight 0.10000E+01 volume 0.22130E-02 ppm1 1.893 ppm2 4.734 CV 1 ASSI { 232} (( segid " A" and resid 259 and name HB2 )) (( segid " A" and resid 259 and name HB1 )) 1.800 0.400 0.400 peak 232 spectrum 1 weight 0.10000E+01 volume 0.11744E-01 ppm1 1.898 ppm2 2.015 CV 1 ASSI { 234} (( segid " A" and resid 259 and name HB1 )) (( segid " A" and resid 259 and name HG1 )) 3.200 1.300 1.300 peak 234 spectrum 1 weight 0.10000E+01 volume 0.33191E-02 ppm1 2.024 ppm2 1.568 CV 1 ASSI { 236} (( segid " A" and resid 259 and name HB2 )) (( segid " A" and resid 259 and name HG2 )) 2.800 1.000 1.000 peak 236 spectrum 1 weight 0.10000E+01 volume 0.76121E-02 ppm1 1.889 ppm2 1.509 CV 1 ASSI { 237} (( segid " A" and resid 259 and name HB2 )) (( segid " A" and resid 259 and name HG1 )) 2.400 0.700 0.700 peak 237 spectrum 1 weight 0.10000E+01 volume 0.72334E-02 ppm1 1.890 ppm2 1.577 CV 1 ASSI { 238} (( segid " A" and resid 259 and name HB1 )) (( segid " A" and resid 259 and name HD1 )) 2.900 1.000 1.000 peak 238 spectrum 1 weight 0.10000E+01 volume 0.43928E-02 ppm1 2.027 ppm2 1.765 CV 1 OR { 238} (( segid " A" and resid 259 and name HB1 )) (( segid " A" and resid 259 and name HD2 )) ASSI { 239} (( segid " A" and resid 259 and name HG2 )) (( segid " A" and resid 259 and name HN )) 4.000 2.000 2.000 peak 239 spectrum 1 weight 0.10000E+01 volume 0.17253E-02 ppm1 1.481 ppm2 8.760 CV 1 ASSI { 240} (( segid " A" and resid 259 and name HG1 )) (( segid " A" and resid 259 and name HN )) 3.200 1.300 1.300 peak 240 spectrum 1 weight 0.10000E+01 volume 0.15173E-02 ppm1 1.580 ppm2 8.759 CV 1 ASSI { 241} (( segid " A" and resid 259 and name HG1 )) (( segid " A" and resid 259 and name HA )) 3.600 1.600 1.600 peak 241 spectrum 1 weight 0.10000E+01 volume 0.20857E-02 ppm1 1.576 ppm2 4.734 CV 1 ASSI { 242} (( segid " A" and resid 259 and name HG2 )) (( segid " A" and resid 259 and name HA )) 3.000 1.100 1.100 peak 242 spectrum 1 weight 0.10000E+01 volume 0.29638E-02 ppm1 1.481 ppm2 4.736 CV 1 ASSI { 243} (( segid " A" and resid 259 and name HG1 )) (( segid " A" and resid 259 and name HE2 )) 3.200 1.300 1.300 peak 243 spectrum 1 weight 0.10000E+01 volume 0.30586E-02 ppm1 1.573 ppm2 3.044 CV 1 OR { 243} (( segid " A" and resid 259 and name HG1 )) (( segid " A" and resid 259 and name HE1 )) ASSI { 245} (( segid " A" and resid 259 and name HG2 )) (( segid " A" and resid 259 and name HB1 )) 2.400 0.700 0.700 peak 245 spectrum 1 weight 0.10000E+01 volume 0.71676E-02 ppm1 1.490 ppm2 2.014 CV 1 ASSI { 246} (( segid " A" and resid 259 and name HD2 )) (( segid " A" and resid 259 and name HN )) 4.200 2.200 1.800 peak 246 spectrum 1 weight 0.10000E+01 volume 0.17869E-02 ppm1 1.752 ppm2 8.760 CV 1 OR { 246} (( segid " A" and resid 259 and name HD1 )) (( segid " A" and resid 259 and name HN )) ASSI { 247} (( segid " A" and resid 259 and name HD1 )) (( segid " A" and resid 259 and name HA )) 3.800 1.800 1.800 peak 247 spectrum 1 weight 0.10000E+01 volume 0.39858E-02 ppm1 1.756 ppm2 4.736 CV 1 OR { 247} (( segid " A" and resid 259 and name HD2 )) (( segid " A" and resid 259 and name HA )) ASSI { 248} (( segid " A" and resid 259 and name HE2 )) (( segid " A" and resid 259 and name HN )) 3.100 3.100 2.900 peak 248 spectrum 1 weight 0.10000E+01 volume 0.11544E-02 ppm1 3.059 ppm2 8.762 CV 1 OR { 248} (( segid " A" and resid 259 and name HE1 )) (( segid " A" and resid 259 and name HN )) ASSI { 249} (( segid " A" and resid 259 and name HE2 )) (( segid " A" and resid 259 and name HB1 )) 3.400 1.500 1.500 peak 249 spectrum 1 weight 0.10000E+01 volume 0.32051E-02 ppm1 3.054 ppm2 2.014 CV 1 OR { 249} (( segid " A" and resid 259 and name HE1 )) (( segid " A" and resid 259 and name HB1 )) ASSI { 250} (( segid " A" and resid 259 and name HE1 )) (( segid " A" and resid 259 and name HD2 )) 2.100 0.500 0.500 peak 250 spectrum 1 weight 0.10000E+01 volume 0.32151E-01 ppm1 3.053 ppm2 1.760 CV 1 OR { 250} (( segid " A" and resid 259 and name HE1 )) (( segid " A" and resid 259 and name HD1 )) OR { 250} (( segid " A" and resid 259 and name HE2 )) (( segid " A" and resid 259 and name HD2 )) OR { 250} (( segid " A" and resid 259 and name HE2 )) (( segid " A" and resid 259 and name HD1 )) ASSI { 251} (( segid " A" and resid 259 and name HE2 )) (( segid " A" and resid 259 and name HG2 )) 2.700 0.900 0.900 peak 251 spectrum 1 weight 0.10000E+01 volume 0.94298E-02 ppm1 3.052 ppm2 1.486 CV 1 OR { 251} (( segid " A" and resid 259 and name HE1 )) (( segid " A" and resid 259 and name HG2 )) ASSI { 252} (( segid " A" and resid 242 and name HD2 )) (( segid " A" and resid 242 and name HG1 )) 2.500 0.800 0.800 peak 252 spectrum 1 weight 0.10000E+01 volume 0.87556E-02 ppm1 3.044 ppm2 1.580 CV 1 OR { 252} (( segid " A" and resid 259 and name HE2 )) (( segid " A" and resid 259 and name HG1 )) OR { 252} (( segid " A" and resid 259 and name HE1 )) (( segid " A" and resid 259 and name HG1 )) ASSI { 253} (( segid " A" and resid 258 and name HA )) (( segid " A" and resid 258 and name HN )) 2.800 1.000 1.000 peak 253 spectrum 1 weight 0.10000E+01 volume 0.39475E-02 ppm1 4.113 ppm2 8.270 CV 1 ASSI { 254} (( segid " A" and resid 258 and name HA )) (( segid " A" and resid 258 and name HB1 )) 2.200 0.600 0.600 peak 254 spectrum 1 weight 0.10000E+01 volume 0.16188E-01 ppm1 4.111 ppm2 2.214 CV 1 ASSI { 255} (( segid " A" and resid 258 and name HA )) (( segid " A" and resid 258 and name HB2 )) 2.800 1.000 1.000 peak 255 spectrum 1 weight 0.10000E+01 volume 0.82171E-02 ppm1 4.112 ppm2 1.962 CV 1 ASSI { 256} (( segid " A" and resid 258 and name HB2 )) (( segid " A" and resid 258 and name HN )) 2.600 0.800 0.800 peak 256 spectrum 1 weight 0.10000E+01 volume 0.49479E-02 ppm1 1.969 ppm2 8.269 CV 1 ASSI { 257} (( segid " A" and resid 258 and name HB1 )) (( segid " A" and resid 258 and name HN )) 3.800 1.800 1.800 peak 257 spectrum 1 weight 0.10000E+01 volume 0.33050E-02 ppm1 2.216 ppm2 8.266 CV 1 ASSI { 261} (( segid " A" and resid 258 and name HB1 )) (( segid " A" and resid 258 and name HB2 )) 1.700 0.400 0.500 peak 261 spectrum 1 weight 0.10000E+01 volume 0.23637E-01 ppm1 2.221 ppm2 1.964 CV 1 ASSI { 262} (( segid " A" and resid 252 and name HB1 )) (( segid " A" and resid 253 and name HN )) 4.000 2.000 2.000 peak 262 spectrum 1 weight 0.10000E+01 volume 0.29405E-02 ppm1 2.761 ppm2 8.820 CV 1 ASSI { 263} (( segid " A" and resid 252 and name HB2 )) (( segid " A" and resid 253 and name HN )) 2.800 1.000 1.000 peak 263 spectrum 1 weight 0.10000E+01 volume 0.23629E-02 ppm1 3.017 ppm2 8.812 CV 1 ASSI { 264} (( segid " A" and resid 256 and name HA )) (( segid " A" and resid 257 and name HN )) 2.500 0.800 0.800 peak 264 spectrum 1 weight 0.10000E+01 volume 0.41323E-02 ppm1 5.042 ppm2 8.843 CV 1 ASSI { 265} (( segid " A" and resid 256 and name HA )) (( segid " A" and resid 256 and name HB1 )) 2.600 0.800 0.800 peak 265 spectrum 1 weight 0.10000E+01 volume 0.45135E-02 ppm1 5.037 ppm2 2.162 CV 1 ASSI { 266} (( segid " A" and resid 173 and name HA )) (( segid " A" and resid 173 and name HB1 )) 2.800 1.000 1.000 peak 266 spectrum 1 weight 0.10000E+01 volume 0.49945E-02 ppm1 5.042 ppm2 1.936 CV 1 ASSI { 267} (( segid " A" and resid 256 and name HA )) (( segid " A" and resid 256 and name HB2 )) 3.100 1.200 1.200 peak 267 spectrum 1 weight 0.10000E+01 volume 0.34698E-02 ppm1 5.039 ppm2 1.779 CV 1 ASSI { 268} (( segid " A" and resid 256 and name HB1 )) (( segid " A" and resid 256 and name HN )) 3.800 1.800 1.800 peak 268 spectrum 1 weight 0.10000E+01 volume 0.26100E-02 ppm1 2.167 ppm2 8.787 CV 1 ASSI { 269} (( segid " A" and resid 256 and name HB2 )) (( segid " A" and resid 256 and name HN )) 2.800 1.000 1.000 peak 269 spectrum 1 weight 0.10000E+01 volume 0.29080E-02 ppm1 1.779 ppm2 8.782 CV 1 ASSI { 272} (( segid " A" and resid 255 and name HB )) (( segid " A" and resid 255 and name HN )) 2.800 1.000 1.000 peak 272 spectrum 1 weight 0.10000E+01 volume 0.27207E-02 ppm1 1.225 ppm2 8.734 CV 1 ASSI { 273} (( segid " A" and resid 255 and name HB )) (( segid " A" and resid 255 and name HG11)) 2.300 0.700 0.700 peak 273 spectrum 1 weight 0.10000E+01 volume 0.65151E-02 ppm1 1.226 ppm2 1.055 CV 1 ASSI { 274} (( segid " A" and resid 255 and name HB )) (( segid " A" and resid 255 and name HG12)) 3.100 1.200 1.200 peak 274 spectrum 1 weight 0.10000E+01 volume 0.27840E-02 ppm1 1.227 ppm2 0.594 CV 1 ASSI { 277} (( segid " A" and resid 255 and name HG12)) (( segid " A" and resid 255 and name HN )) 3.800 1.800 1.800 peak 277 spectrum 1 weight 0.10000E+01 volume 0.16804E-02 ppm1 0.585 ppm2 8.754 CV 1 ASSI { 278} (( segid " A" and resid 255 and name HG11)) (( segid " A" and resid 255 and name HN )) 3.000 1.100 1.100 peak 278 spectrum 1 weight 0.10000E+01 volume 0.20924E-02 ppm1 1.047 ppm2 8.742 CV 1 ASSI { 279} (( segid " A" and resid 255 and name HG12)) (( segid " A" and resid 255 and name HA )) 2.800 1.000 1.000 peak 279 spectrum 1 weight 0.10000E+01 volume 0.25035E-02 ppm1 0.582 ppm2 4.581 CV 1 ASSI { 280} (( segid " A" and resid 255 and name HG11)) (( segid " A" and resid 255 and name HA )) 3.300 1.400 1.400 peak 280 spectrum 1 weight 0.10000E+01 volume 0.22297E-02 ppm1 1.046 ppm2 4.582 CV 1 ASSI { 283} (( segid " A" and resid 255 and name HG12)) (( segid " A" and resid 255 and name HG11)) 1.800 0.400 0.400 peak 283 spectrum 1 weight 0.10000E+01 volume 0.10670E-01 ppm1 0.585 ppm2 1.043 CV 1 ASSI { 285} (( segid " A" and resid 255 and name HG12)) ( segid " A" and resid 255 and name HG2%) 2.600 0.900 0.900 peak 285 spectrum 1 weight 0.10000E+01 volume 0.45268E-02 ppm1 0.585 ppm2 0.228 CV 1 ASSI { 288} (( segid " A" and resid 255 and name HG12)) ( segid " A" and resid 255 and name HD1%) 2.400 0.700 0.700 peak 288 spectrum 1 weight 0.10000E+01 volume 0.58817E-02 ppm1 0.585 ppm2 -0.131 CV 1 ASSI { 289} ( segid " A" and resid 255 and name HG2%) (( segid " A" and resid 256 and name HN )) 2.400 0.700 0.700 peak 289 spectrum 1 weight 0.10000E+01 volume 0.87473E-02 ppm1 0.228 ppm2 8.777 CV 1 ASSI { 290} ( segid " A" and resid 255 and name HG2%) (( segid " A" and resid 255 and name HA )) 2.600 0.800 0.800 peak 290 spectrum 1 weight 0.10000E+01 volume 0.65343E-02 ppm1 0.228 ppm2 4.586 CV 1 ASSI { 291} ( segid " A" and resid 255 and name HG2%) (( segid " A" and resid 255 and name HB )) 2.100 0.600 0.600 peak 291 spectrum 1 weight 0.10000E+01 volume 0.12692E-01 ppm1 0.228 ppm2 1.234 CV 1 ASSI { 292} ( segid " A" and resid 255 and name HG2%) (( segid " A" and resid 255 and name HG11)) 3.100 1.200 1.200 peak 292 spectrum 1 weight 0.10000E+01 volume 0.92383E-02 ppm1 0.228 ppm2 1.047 CV 1 ASSI { 293} ( segid " A" and resid 255 and name HG2%) ( segid " A" and resid 235 and name HG2%) 1.900 0.500 0.500 peak 293 spectrum 1 weight 0.10000E+01 volume 0.23104E-01 ppm1 0.228 ppm2 0.582 CV 1 OR { 293} ( segid " A" and resid 255 and name HG2%) (( segid " A" and resid 255 and name HG12)) ASSI { 294} ( segid " A" and resid 255 and name HG2%) ( segid " A" and resid 255 and name HD1%) 2.100 0.500 0.500 peak 294 spectrum 1 weight 0.10000E+01 volume 0.17436E-01 ppm1 0.228 ppm2 -0.129 CV 1 ASSI { 296} ( segid " A" and resid 255 and name HD1%) (( segid " A" and resid 255 and name HA )) 4.100 2.100 1.900 peak 296 spectrum 1 weight 0.10000E+01 volume 0.24203E-02 ppm1 -0.129 ppm2 4.585 CV 1 ASSI { 297} ( segid " A" and resid 255 and name HD1%) (( segid " A" and resid 255 and name HB )) 2.400 0.700 0.700 peak 297 spectrum 1 weight 0.10000E+01 volume 0.97377E-02 ppm1 -0.129 ppm2 1.237 CV 1 ASSI { 298} ( segid " A" and resid 255 and name HD1%) (( segid " A" and resid 255 and name HG11)) 2.100 0.600 0.600 peak 298 spectrum 1 weight 0.10000E+01 volume 0.13899E-01 ppm1 -0.129 ppm2 1.045 CV 1 ASSI { 301} (( segid " A" and resid 254 and name HA )) (( segid " A" and resid 254 and name HN )) 3.200 1.300 1.300 peak 301 spectrum 1 weight 0.10000E+01 volume 0.17794E-02 ppm1 5.768 ppm2 7.808 CV 1 ASSI { 302} (( segid " A" and resid 254 and name HA )) (( segid " A" and resid 254 and name HB1 )) 2.800 1.000 1.000 peak 302 spectrum 1 weight 0.10000E+01 volume 0.44128E-02 ppm1 5.770 ppm2 2.757 CV 1 OR { 302} (( segid " A" and resid 254 and name HA )) (( segid " A" and resid 254 and name HB2 )) ASSI { 303} (( segid " A" and resid 254 and name HB2 )) (( segid " A" and resid 254 and name HN )) 3.200 1.300 1.300 peak 303 spectrum 1 weight 0.10000E+01 volume 0.22796E-02 ppm1 2.761 ppm2 7.804 CV 1 OR { 303} (( segid " A" and resid 254 and name HB1 )) (( segid " A" and resid 254 and name HN )) ASSI { 305} (( segid " A" and resid 253 and name HA1 )) (( segid " A" and resid 253 and name HN )) 3.000 1.200 1.200 peak 305 spectrum 1 weight 0.10000E+01 volume 0.16879E-02 ppm1 4.034 ppm2 8.813 CV 1 ASSI { 306} (( segid " A" and resid 253 and name HA2 )) (( segid " A" and resid 253 and name HN )) 3.300 1.300 1.300 peak 306 spectrum 1 weight 0.10000E+01 volume 0.15222E-02 ppm1 4.075 ppm2 8.810 CV 1 ASSI { 307} (( segid " A" and resid 252 and name HA )) (( segid " A" and resid 252 and name HN )) 2.900 1.100 1.100 peak 307 spectrum 1 weight 0.10000E+01 volume 0.22297E-02 ppm1 5.623 ppm2 7.143 CV 1 ASSI { 308} (( segid " A" and resid 252 and name HA )) (( segid " A" and resid 252 and name HB2 )) 2.700 0.900 0.900 peak 308 spectrum 1 weight 0.10000E+01 volume 0.36829E-02 ppm1 5.623 ppm2 3.020 CV 1 ASSI { 309} (( segid " A" and resid 252 and name HA )) (( segid " A" and resid 252 and name HB1 )) 2.700 0.900 0.900 peak 309 spectrum 1 weight 0.10000E+01 volume 0.38293E-02 ppm1 5.618 ppm2 2.762 CV 1 ASSI { 312} (( segid " A" and resid 251 and name HA2 )) (( segid " A" and resid 251 and name HN )) 2.900 1.100 1.100 peak 312 spectrum 1 weight 0.10000E+01 volume 0.28348E-02 ppm1 4.191 ppm2 11.223 CV 1 ASSI { 313} (( segid " A" and resid 251 and name HA1 )) (( segid " A" and resid 251 and name HN )) 3.200 1.300 1.300 peak 313 spectrum 1 weight 0.10000E+01 volume 0.22297E-02 ppm1 4.303 ppm2 11.223 CV 1 ASSI { 314} (( segid " A" and resid 249 and name HA )) (( segid " A" and resid 250 and name HN )) 2.500 0.800 0.800 peak 314 spectrum 1 weight 0.10000E+01 volume 0.44402E-02 ppm1 5.373 ppm2 8.616 CV 1 ASSI { 315} (( segid " A" and resid 249 and name HA )) (( segid " A" and resid 243 and name HN )) 3.400 1.400 1.400 peak 315 spectrum 1 weight 0.10000E+01 volume 0.26775E-02 ppm1 5.374 ppm2 8.441 CV 1 OR { 315} (( segid " A" and resid 249 and name HA )) (( segid " A" and resid 242 and name HN )) ASSI { 316} (( segid " A" and resid 249 and name HA )) (( segid " A" and resid 249 and name HN )) 3.300 1.400 1.400 peak 316 spectrum 1 weight 0.10000E+01 volume 0.12634E-02 ppm1 5.370 ppm2 8.527 CV 1 ASSI { 317} (( segid " A" and resid 249 and name HA )) (( segid " A" and resid 249 and name HB1 )) 2.800 1.000 1.000 peak 317 spectrum 1 weight 0.10000E+01 volume 0.34981E-02 ppm1 5.376 ppm2 3.283 CV 1 ASSI { 318} (( segid " A" and resid 249 and name HA )) (( segid " A" and resid 249 and name HB2 )) 2.800 1.000 1.000 peak 318 spectrum 1 weight 0.10000E+01 volume 0.32900E-02 ppm1 5.376 ppm2 2.592 CV 1 ASSI { 319} (( segid " A" and resid 249 and name HB2 )) (( segid " A" and resid 250 and name HN )) 3.000 1.100 1.100 peak 319 spectrum 1 weight 0.10000E+01 volume 0.19450E-02 ppm1 2.590 ppm2 8.612 CV 1 ASSI { 320} (( segid " A" and resid 249 and name HB1 )) (( segid " A" and resid 250 and name HN )) 4.100 2.100 1.900 peak 320 spectrum 1 weight 0.10000E+01 volume 0.23296E-02 ppm1 3.285 ppm2 8.614 CV 1 ASSI { 323} (( segid " A" and resid 249 and name HB2 )) (( segid " A" and resid 249 and name HB1 )) 2.200 0.600 0.600 peak 323 spectrum 1 weight 0.10000E+01 volume 0.46408E-02 ppm1 2.595 ppm2 3.279 CV 1 ASSI { 325} (( segid " A" and resid 248 and name HA )) (( segid " A" and resid 248 and name HN )) 3.700 1.700 1.700 peak 325 spectrum 1 weight 0.10000E+01 volume 0.91468E-03 ppm1 4.431 ppm2 7.925 CV 1 ASSI { 326} (( segid " A" and resid 247 and name HA1 )) (( segid " A" and resid 247 and name HN )) 3.400 1.500 1.500 peak 326 spectrum 1 weight 0.10000E+01 volume 0.28414E-02 ppm1 3.777 ppm2 8.424 CV 1 ASSI { 327} (( segid " A" and resid 247 and name HA2 )) (( segid " A" and resid 247 and name HN )) 3.000 1.100 1.100 peak 327 spectrum 1 weight 0.10000E+01 volume 0.23329E-02 ppm1 4.228 ppm2 8.426 CV 1 ASSI { 328} (( segid " A" and resid 247 and name HA1 )) (( segid " A" and resid 247 and name HA2 )) 2.000 0.500 0.500 peak 328 spectrum 1 weight 0.10000E+01 volume 0.15680E-01 ppm1 3.777 ppm2 4.226 CV 1 ASSI { 332} (( segid " A" and resid 246 and name HB )) (( segid " A" and resid 246 and name HA )) 2.700 0.900 0.900 peak 332 spectrum 1 weight 0.10000E+01 volume 0.68647E-02 ppm1 4.285 ppm2 4.434 CV 1 ASSI { 334} ( segid " A" and resid 246 and name HG2%) (( segid " A" and resid 246 and name HN )) 3.100 1.200 1.200 peak 334 spectrum 1 weight 0.10000E+01 volume 0.29971E-02 ppm1 1.194 ppm2 7.651 CV 1 ASSI { 335} ( segid " A" and resid 246 and name HG2%) (( segid " A" and resid 246 and name HA )) 2.500 0.800 0.800 peak 335 spectrum 1 weight 0.10000E+01 volume 0.17570E-01 ppm1 1.193 ppm2 4.435 CV 1 ASSI { 336} ( segid " A" and resid 246 and name HG2%) (( segid " A" and resid 246 and name HB )) 2.100 0.600 0.600 peak 336 spectrum 1 weight 0.10000E+01 volume 0.27124E-01 ppm1 1.194 ppm2 4.281 CV 1 ASSI { 337} (( segid " A" and resid 245 and name HA )) (( segid " A" and resid 245 and name HN )) 3.700 1.700 1.700 peak 337 spectrum 1 weight 0.10000E+01 volume 0.10512E-02 ppm1 4.223 ppm2 8.427 CV 1 ASSI { 340} (( segid " A" and resid 245 and name HB )) (( segid " A" and resid 245 and name HN )) 4.000 2.000 2.000 peak 340 spectrum 1 weight 0.10000E+01 volume 0.12884E-02 ppm1 4.283 ppm2 8.430 CV 1 ASSI { 341} ( segid " A" and resid 245 and name HG2%) (( segid " A" and resid 245 and name HN )) 3.400 1.500 1.500 peak 341 spectrum 1 weight 0.10000E+01 volume 0.18294E-02 ppm1 1.244 ppm2 8.429 CV 1 ASSI { 342} ( segid " A" and resid 245 and name HG2%) (( segid " A" and resid 245 and name HA )) 2.500 0.800 0.800 peak 342 spectrum 1 weight 0.10000E+01 volume 0.25534E-01 ppm1 1.244 ppm2 4.238 CV 1 ASSI { 343} ( segid " A" and resid 245 and name HG2%) (( segid " A" and resid 245 and name HB )) 2.200 0.600 0.600 peak 343 spectrum 1 weight 0.10000E+01 volume 0.28331E-01 ppm1 1.244 ppm2 4.283 CV 1 ASSI { 344} (( segid " A" and resid 243 and name HA )) (( segid " A" and resid 243 and name HN )) 3.500 1.500 1.500 peak 344 spectrum 1 weight 0.10000E+01 volume 0.12934E-02 ppm1 4.921 ppm2 8.440 CV 1 ASSI { 347} (( segid " A" and resid 243 and name HB1 )) (( segid " A" and resid 243 and name HN )) 3.600 1.600 1.600 peak 347 spectrum 1 weight 0.10000E+01 volume 0.49346E-02 ppm1 3.162 ppm2 8.435 CV 1 ASSI { 348} (( segid " A" and resid 243 and name HB2 )) (( segid " A" and resid 243 and name HN )) 2.600 0.900 0.900 peak 348 spectrum 1 weight 0.10000E+01 volume 0.46408E-02 ppm1 2.415 ppm2 8.435 CV 1 ASSI { 349} (( segid " A" and resid 243 and name HB2 )) (( segid " A" and resid 243 and name HA )) 3.200 1.300 1.300 peak 349 spectrum 1 weight 0.10000E+01 volume 0.42929E-02 ppm1 2.417 ppm2 4.917 CV 1 ASSI { 350} (( segid " A" and resid 243 and name HB1 )) (( segid " A" and resid 243 and name HA )) 2.800 1.000 1.000 peak 350 spectrum 1 weight 0.10000E+01 volume 0.35838E-02 ppm1 3.158 ppm2 4.915 CV 1 ASSI { 352} (( segid " A" and resid 243 and name HB1 )) (( segid " A" and resid 243 and name HB2 )) 1.900 0.400 0.400 peak 352 spectrum 1 weight 0.10000E+01 volume 0.13366E-01 ppm1 3.160 ppm2 2.412 CV 1 ASSI { 353} (( segid " A" and resid 242 and name HB1 )) (( segid " A" and resid 242 and name HN )) 3.100 1.200 1.200 peak 353 spectrum 1 weight 0.10000E+01 volume 0.34182E-02 ppm1 1.628 ppm2 8.443 CV 1 ASSI { 354} (( segid " A" and resid 242 and name HB2 )) (( segid " A" and resid 242 and name HN )) 3.000 1.100 1.100 peak 354 spectrum 1 weight 0.10000E+01 volume 0.34981E-02 ppm1 1.373 ppm2 8.446 CV 1 ASSI { 355} (( segid " A" and resid 242 and name HB2 )) (( segid " A" and resid 242 and name HA )) 2.900 1.100 1.100 peak 355 spectrum 1 weight 0.10000E+01 volume 0.24602E-02 ppm1 1.372 ppm2 4.722 CV 1 ASSI { 356} (( segid " A" and resid 242 and name HB1 )) (( segid " A" and resid 242 and name HA )) 3.000 1.100 1.100 peak 356 spectrum 1 weight 0.10000E+01 volume 0.24636E-02 ppm1 1.631 ppm2 4.730 CV 1 ASSI { 357} (( segid " A" and resid 241 and name HA )) (( segid " A" and resid 242 and name HN )) 2.400 0.700 0.700 peak 357 spectrum 1 weight 0.10000E+01 volume 0.98459E-02 ppm1 4.149 ppm2 8.463 CV 1 ASSI { 358} (( segid " A" and resid 241 and name HA )) ( segid " A" and resid 241 and name HB% ) 2.200 0.600 0.600 peak 358 spectrum 1 weight 0.10000E+01 volume 0.17545E-01 ppm1 4.149 ppm2 0.779 CV 1 ASSI { 359} ( segid " A" and resid 241 and name HB% ) (( segid " A" and resid 241 and name HN )) 2.200 0.600 0.600 peak 359 spectrum 1 weight 0.10000E+01 volume 0.15056E-01 ppm1 0.779 ppm2 8.452 CV 1 ASSI { 361} (( segid " A" and resid 240 and name HB1 )) (( segid " A" and resid 240 and name HN )) 4.300 2.300 1.700 peak 361 spectrum 1 weight 0.10000E+01 volume 0.14840E-02 ppm1 0.805 ppm2 8.621 CV 1 ASSI { 362} (( segid " A" and resid 240 and name HB2 )) (( segid " A" and resid 240 and name HN )) 2.900 1.100 1.100 peak 362 spectrum 1 weight 0.10000E+01 volume 0.21689E-02 ppm1 1.491 ppm2 8.617 CV 1 ASSI { 363} (( segid " A" and resid 240 and name HB1 )) (( segid " A" and resid 240 and name HB2 )) 2.200 0.600 0.600 peak 363 spectrum 1 weight 0.10000E+01 volume 0.45801E-02 ppm1 0.797 ppm2 1.488 CV 1 ASSI { 365} (( segid " A" and resid 240 and name HB2 )) (( segid " A" and resid 240 and name HG )) 2.700 0.900 0.900 peak 365 spectrum 1 weight 0.10000E+01 volume 0.32334E-02 ppm1 1.488 ppm2 1.164 CV 1 ASSI { 366} (( segid " A" and resid 240 and name HB1 )) (( segid " A" and resid 240 and name HG )) 3.500 1.500 1.500 peak 366 spectrum 1 weight 0.10000E+01 volume 0.17753E-02 ppm1 0.804 ppm2 1.168 CV 1 ASSI { 371} (( segid " A" and resid 240 and name HG )) (( segid " A" and resid 240 and name HN )) 2.900 1.000 1.000 peak 371 spectrum 1 weight 0.10000E+01 volume 0.27041E-02 ppm1 1.162 ppm2 8.621 CV 1 ASSI { 372} (( segid " A" and resid 240 and name HG )) (( segid " A" and resid 240 and name HA )) 3.500 1.500 1.500 peak 372 spectrum 1 weight 0.10000E+01 volume 0.12900E-02 ppm1 1.157 ppm2 4.560 CV 1 ASSI { 376} ( segid " A" and resid 240 and name HD1%) (( segid " A" and resid 240 and name HN )) 4.000 2.000 2.000 peak 376 spectrum 1 weight 0.10000E+01 volume 0.28481E-02 ppm1 -0.053 ppm2 8.620 CV 1 ASSI { 377} ( segid " A" and resid 240 and name HD1%) (( segid " A" and resid 240 and name HA )) 4.100 2.100 1.900 peak 377 spectrum 1 weight 0.10000E+01 volume 0.26067E-02 ppm1 -0.053 ppm2 4.577 CV 1 ASSI { 378} ( segid " A" and resid 240 and name HD1%) (( segid " A" and resid 240 and name HB2 )) 2.500 0.800 0.800 peak 378 spectrum 1 weight 0.10000E+01 volume 0.91884E-02 ppm1 -0.053 ppm2 1.495 CV 1 ASSI { 379} ( segid " A" and resid 240 and name HD1%) (( segid " A" and resid 240 and name HG )) 2.200 0.600 0.600 peak 379 spectrum 1 weight 0.10000E+01 volume 0.11727E-01 ppm1 -0.053 ppm2 1.162 CV 1 ASSI { 380} ( segid " A" and resid 240 and name HD1%) (( segid " A" and resid 240 and name HB1 )) 2.600 0.900 0.900 peak 380 spectrum 1 weight 0.10000E+01 volume 0.64394E-02 ppm1 -0.053 ppm2 0.787 CV 1 ASSI { 382} ( segid " A" and resid 240 and name HD2%) ( segid " A" and resid 240 and name HD1%) 2.100 0.500 0.500 peak 382 spectrum 1 weight 0.10000E+01 volume 0.24586E-01 ppm1 0.109 ppm2 -0.047 CV 1 ASSI { 383} ( segid " A" and resid 240 and name HD2%) (( segid " A" and resid 240 and name HB1 )) 2.400 0.700 0.700 peak 383 spectrum 1 weight 0.10000E+01 volume 0.90552E-02 ppm1 0.110 ppm2 0.787 CV 1 ASSI { 384} ( segid " A" and resid 158 and name HG1%) ( segid " A" and resid 138 and name HD1%) 2.500 0.800 0.800 peak 384 spectrum 1 weight 0.10000E+01 volume 0.12484E-01 ppm1 0.131 ppm2 0.766 CV 1 OR { 384} ( segid " A" and resid 158 and name HG1%) ( segid " A" and resid 141 and name HD1%) ASSI { 385} ( segid " A" and resid 240 and name HD2%) (( segid " A" and resid 240 and name HG )) 2.200 0.600 0.600 peak 385 spectrum 1 weight 0.10000E+01 volume 0.98126E-02 ppm1 0.108 ppm2 1.159 CV 1 ASSI { 386} ( segid " A" and resid 240 and name HD2%) (( segid " A" and resid 240 and name HB2 )) 3.200 1.300 1.300 peak 386 spectrum 1 weight 0.10000E+01 volume 0.81414E-02 ppm1 0.110 ppm2 1.495 CV 1 ASSI { 387} ( segid " A" and resid 240 and name HD2%) (( segid " A" and resid 240 and name HA )) 2.200 0.600 0.600 peak 387 spectrum 1 weight 0.10000E+01 volume 0.96129E-02 ppm1 0.108 ppm2 4.562 CV 1 ASSI { 388} ( segid " A" and resid 240 and name HD2%) (( segid " A" and resid 240 and name HN )) 3.600 1.600 1.600 peak 388 spectrum 1 weight 0.10000E+01 volume 0.32950E-02 ppm1 0.109 ppm2 8.626 CV 1 ASSI { 389} (( segid " A" and resid 239 and name HA )) (( segid " A" and resid 239 and name HN )) 3.800 1.800 1.800 peak 389 spectrum 1 weight 0.10000E+01 volume 0.71410E-03 ppm1 4.864 ppm2 8.150 CV 1 ASSI { 391} (( segid " A" and resid 239 and name HB )) (( segid " A" and resid 239 and name HN )) 2.700 0.900 0.900 peak 391 spectrum 1 weight 0.10000E+01 volume 0.54365E-02 ppm1 3.948 ppm2 8.152 CV 1 ASSI { 392} (( segid " A" and resid 239 and name HB )) (( segid " A" and resid 239 and name HA )) 2.700 0.900 0.900 peak 392 spectrum 1 weight 0.10000E+01 volume 0.65060E-02 ppm1 3.948 ppm2 4.858 CV 1 ASSI { 393} (( segid " A" and resid 239 and name HB )) ( segid " A" and resid 239 and name HG2%) 2.400 0.700 0.700 peak 393 spectrum 1 weight 0.10000E+01 volume 0.15963E-01 ppm1 3.948 ppm2 1.180 CV 1 ASSI { 394} ( segid " A" and resid 239 and name HG2%) (( segid " A" and resid 239 and name HN )) 3.500 1.500 1.500 peak 394 spectrum 1 weight 0.10000E+01 volume 0.26941E-02 ppm1 1.183 ppm2 8.156 CV 1 ASSI { 395} ( segid " A" and resid 239 and name HG2%) (( segid " A" and resid 239 and name HA )) 2.500 0.800 0.800 peak 395 spectrum 1 weight 0.10000E+01 volume 0.13583E-01 ppm1 1.182 ppm2 4.856 CV 1 ASSI { 397} (( segid " A" and resid 236 and name HA )) (( segid " A" and resid 236 and name HN )) 2.400 0.700 0.700 peak 397 spectrum 1 weight 0.10000E+01 volume 0.92966E-02 ppm1 4.304 ppm2 9.109 CV 1 ASSI { 398} (( segid " A" and resid 236 and name HA )) (( segid " A" and resid 236 and name HB1 )) 2.700 0.900 0.900 peak 398 spectrum 1 weight 0.10000E+01 volume 0.99791E-02 ppm1 4.309 ppm2 1.728 CV 1 ASSI { 399} (( segid " A" and resid 236 and name HA )) (( segid " A" and resid 236 and name HB2 )) 2.400 0.700 0.700 peak 399 spectrum 1 weight 0.10000E+01 volume 0.82263E-02 ppm1 4.306 ppm2 1.453 CV 1 ASSI { 400} (( segid " A" and resid 236 and name HB1 )) (( segid " A" and resid 236 and name HN )) 2.500 0.800 0.800 peak 400 spectrum 1 weight 0.10000E+01 volume 0.36404E-02 ppm1 1.712 ppm2 9.095 CV 1 ASSI { 401} (( segid " A" and resid 236 and name HB2 )) (( segid " A" and resid 236 and name HN )) 2.800 1.000 1.000 peak 401 spectrum 1 weight 0.10000E+01 volume 0.38435E-02 ppm1 1.463 ppm2 9.095 CV 1 ASSI { 404} (( segid " A" and resid 236 and name HB2 )) (( segid " A" and resid 236 and name HB1 )) 1.600 0.300 0.600 peak 404 spectrum 1 weight 0.10000E+01 volume 0.24661E-01 ppm1 1.468 ppm2 1.709 CV 1 ASSI { 406} (( segid " A" and resid 235 and name HB )) (( segid " A" and resid 235 and name HN )) 2.600 0.900 0.900 peak 406 spectrum 1 weight 0.10000E+01 volume 0.55971E-02 ppm1 1.643 ppm2 9.113 CV 1 OR { 406} (( segid " A" and resid 235 and name HB )) (( segid " A" and resid 236 and name HN )) ASSI { 407} (( segid " A" and resid 235 and name HB )) (( segid " A" and resid 235 and name HA )) 3.400 1.400 1.400 peak 407 spectrum 1 weight 0.10000E+01 volume 0.14407E-02 ppm1 1.640 ppm2 4.035 CV 1 ASSI { 408} ( segid " A" and resid 235 and name HG2%) (( segid " A" and resid 236 and name HN )) 2.300 0.700 0.700 peak 408 spectrum 1 weight 0.10000E+01 volume 0.70919E-02 ppm1 0.579 ppm2 9.102 CV 1 ASSI { 409} ( segid " A" and resid 235 and name HG2%) (( segid " A" and resid 235 and name HA )) 2.600 0.800 0.800 peak 409 spectrum 1 weight 0.10000E+01 volume 0.50686E-02 ppm1 0.578 ppm2 4.023 CV 1 ASSI { 410} ( segid " A" and resid 235 and name HG2%) (( segid " A" and resid 235 and name HB )) 2.000 0.500 0.500 peak 410 spectrum 1 weight 0.10000E+01 volume 0.14149E-01 ppm1 0.580 ppm2 1.652 CV 1 ASSI { 411} ( segid " A" and resid 138 and name HG2%) (( segid " A" and resid 138 and name HB )) 2.100 0.500 0.500 peak 411 spectrum 1 weight 0.10000E+01 volume 0.16438E-01 ppm1 0.542 ppm2 1.644 CV 1 ASSI { 412} ( segid " A" and resid 235 and name HD1%) (( segid " A" and resid 235 and name HN )) 4.000 2.000 2.000 peak 412 spectrum 1 weight 0.10000E+01 volume 0.26308E-02 ppm1 0.700 ppm2 9.109 CV 1 ASSI { 413} (( segid " A" and resid 233 and name HA1 )) (( segid " A" and resid 233 and name HN )) 2.700 0.900 0.900 peak 413 spectrum 1 weight 0.10000E+01 volume 0.36970E-02 ppm1 3.893 ppm2 7.615 CV 1 ASSI { 414} (( segid " A" and resid 232 and name HA )) (( segid " A" and resid 232 and name HN )) 3.400 1.400 1.400 peak 414 spectrum 1 weight 0.10000E+01 volume 0.19425E-02 ppm1 4.390 ppm2 6.886 CV 1 ASSI { 417} (( segid " A" and resid 232 and name HB2 )) (( segid " A" and resid 232 and name HN )) 3.000 1.200 1.200 peak 417 spectrum 1 weight 0.10000E+01 volume 0.21490E-02 ppm1 2.646 ppm2 6.887 CV 1 ASSI { 418} (( segid " A" and resid 232 and name HB1 )) (( segid " A" and resid 232 and name HN )) 4.300 2.300 1.700 peak 418 spectrum 1 weight 0.10000E+01 volume 0.17894E-02 ppm1 3.478 ppm2 6.884 CV 1 ASSI { 419} (( segid " A" and resid 232 and name HB1 )) (( segid " A" and resid 232 and name HA )) 3.000 1.100 1.100 peak 419 spectrum 1 weight 0.10000E+01 volume 0.28106E-02 ppm1 3.473 ppm2 4.390 CV 1 ASSI { 421} (( segid " A" and resid 232 and name HB2 )) (( segid " A" and resid 232 and name HA )) 3.300 1.400 1.400 peak 421 spectrum 1 weight 0.10000E+01 volume 0.40283E-02 ppm1 2.646 ppm2 4.394 CV 1 ASSI { 422} (( segid " A" and resid 232 and name HB2 )) (( segid " A" and resid 232 and name HB1 )) 2.100 0.600 0.600 peak 422 spectrum 1 weight 0.10000E+01 volume 0.58043E-02 ppm1 2.640 ppm2 3.470 CV 1 ASSI { 424} (( segid " A" and resid 231 and name HA )) (( segid " A" and resid 231 and name HN )) 2.800 0.900 0.900 peak 424 spectrum 1 weight 0.10000E+01 volume 0.70827E-02 ppm1 3.906 ppm2 7.085 CV 1 ASSI { 425} (( segid " A" and resid 231 and name HA )) ( segid " A" and resid 231 and name HB% ) 2.200 0.600 0.600 peak 425 spectrum 1 weight 0.10000E+01 volume 0.28864E-01 ppm1 3.906 ppm2 0.801 CV 1 ASSI { 426} ( segid " A" and resid 231 and name HB% ) (( segid " A" and resid 231 and name HN )) 2.300 0.700 0.700 peak 426 spectrum 1 weight 0.10000E+01 volume 0.17811E-01 ppm1 0.803 ppm2 7.084 CV 1 ASSI { 428} (( segid " A" and resid 230 and name HA )) (( segid " A" and resid 230 and name HN )) 3.400 1.400 1.400 peak 428 spectrum 1 weight 0.10000E+01 volume 0.12168E-02 ppm1 4.874 ppm2 8.767 CV 1 ASSI { 430} (( segid " A" and resid 230 and name HB2 )) (( segid " A" and resid 230 and name HN )) 2.500 0.800 0.800 peak 430 spectrum 1 weight 0.10000E+01 volume 0.62504E-02 ppm1 2.111 ppm2 8.759 CV 1 ASSI { 431} (( segid " A" and resid 230 and name HB1 )) (( segid " A" and resid 230 and name HN )) 2.400 0.700 0.700 peak 431 spectrum 1 weight 0.10000E+01 volume 0.69404E-02 ppm1 2.303 ppm2 8.756 CV 1 ASSI { 432} (( segid " A" and resid 230 and name HB2 )) (( segid " A" and resid 230 and name HA )) 2.400 0.700 0.700 peak 432 spectrum 1 weight 0.10000E+01 volume 0.57103E-02 ppm1 2.112 ppm2 4.863 CV 1 ASSI { 433} (( segid " A" and resid 230 and name HB1 )) (( segid " A" and resid 230 and name HA )) 3.000 1.100 1.100 peak 433 spectrum 1 weight 0.10000E+01 volume 0.48281E-02 ppm1 2.304 ppm2 4.862 CV 1 ASSI { 434} (( segid " A" and resid 230 and name HB1 )) (( segid " A" and resid 230 and name HG1 )) 2.400 0.700 0.700 peak 434 spectrum 1 weight 0.10000E+01 volume 0.11236E-01 ppm1 2.301 ppm2 2.532 CV 1 OR { 434} (( segid " A" and resid 230 and name HB1 )) (( segid " A" and resid 230 and name HG2 )) ASSI { 435} (( segid " A" and resid 230 and name HB1 )) (( segid " A" and resid 230 and name HB2 )) 1.500 0.300 0.700 peak 435 spectrum 1 weight 0.10000E+01 volume 0.30487E-01 ppm1 2.302 ppm2 2.108 CV 1 ASSI { 436} (( segid " A" and resid 230 and name HG2 )) (( segid " A" and resid 230 and name HN )) 4.000 2.000 2.000 peak 436 spectrum 1 weight 0.10000E+01 volume 0.34182E-02 ppm1 2.542 ppm2 8.759 CV 1 OR { 436} (( segid " A" and resid 230 and name HG1 )) (( segid " A" and resid 230 and name HN )) ASSI { 437} (( segid " A" and resid 230 and name HG2 )) (( segid " A" and resid 230 and name HA )) 3.000 1.200 1.200 peak 437 spectrum 1 weight 0.10000E+01 volume 0.43928E-02 ppm1 2.542 ppm2 4.863 CV 1 OR { 437} (( segid " A" and resid 230 and name HG1 )) (( segid " A" and resid 230 and name HA )) ASSI { 439} (( segid " A" and resid 230 and name HG2 )) (( segid " A" and resid 230 and name HB2 )) 2.600 0.800 0.800 peak 439 spectrum 1 weight 0.10000E+01 volume 0.77818E-02 ppm1 2.545 ppm2 2.108 CV 1 OR { 439} (( segid " A" and resid 230 and name HG1 )) (( segid " A" and resid 230 and name HB2 )) ASSI { 440} (( segid " A" and resid 229 and name HB2 )) (( segid " A" and resid 229 and name HN )) 2.400 0.700 0.700 peak 440 spectrum 1 weight 0.10000E+01 volume 0.32900E-02 ppm1 2.827 ppm2 8.269 CV 1 ASSI { 441} (( segid " A" and resid 229 and name HB1 )) (( segid " A" and resid 229 and name HN )) 3.900 1.900 1.900 peak 441 spectrum 1 weight 0.10000E+01 volume 0.17894E-02 ppm1 3.526 ppm2 8.269 CV 1 ASSI { 442} (( segid " A" and resid 229 and name HB2 )) (( segid " A" and resid 229 and name HA )) 3.200 1.300 1.300 peak 442 spectrum 1 weight 0.10000E+01 volume 0.19425E-02 ppm1 2.829 ppm2 4.411 CV 1 ASSI { 443} (( segid " A" and resid 229 and name HB1 )) (( segid " A" and resid 229 and name HA )) 3.100 1.200 1.200 peak 443 spectrum 1 weight 0.10000E+01 volume 0.13866E-02 ppm1 3.534 ppm2 4.403 CV 1 ASSI { 444} (( segid " A" and resid 229 and name HB2 )) (( segid " A" and resid 229 and name HB1 )) 1.800 0.400 0.400 peak 444 spectrum 1 weight 0.10000E+01 volume 0.70070E-02 ppm1 2.839 ppm2 3.529 CV 1 ASSI { 446} (( segid " A" and resid 228 and name HA )) (( segid " A" and resid 228 and name HN )) 2.700 0.900 0.900 peak 446 spectrum 1 weight 0.10000E+01 volume 0.62979E-02 ppm1 3.932 ppm2 7.189 CV 1 ASSI { 447} (( segid " A" and resid 228 and name HA )) (( segid " A" and resid 228 and name HB )) 2.700 0.900 0.900 peak 447 spectrum 1 weight 0.10000E+01 volume 0.66383E-02 ppm1 3.933 ppm2 2.096 CV 1 ASSI { 449} (( segid " A" and resid 228 and name HA )) ( segid " A" and resid 228 and name HG2%) 2.600 0.800 0.800 peak 449 spectrum 1 weight 0.10000E+01 volume 0.98293E-02 ppm1 3.933 ppm2 0.676 CV 1 ASSI { 450} (( segid " A" and resid 228 and name HB )) (( segid " A" and resid 228 and name HN )) 2.300 0.600 0.600 peak 450 spectrum 1 weight 0.10000E+01 volume 0.12101E-01 ppm1 2.096 ppm2 7.189 CV 1 ASSI { 451} (( segid " A" and resid 228 and name HB )) (( segid " A" and resid 228 and name HA )) 2.400 0.700 0.700 peak 451 spectrum 1 weight 0.10000E+01 volume 0.12051E-01 ppm1 2.093 ppm2 3.935 CV 1 OR { 451} (( segid " A" and resid 228 and name HB )) (( segid " A" and resid 225 and name HA )) ASSI { 452} (( segid " A" and resid 228 and name HB )) ( segid " A" and resid 228 and name HG1%) 2.000 0.500 0.500 peak 452 spectrum 1 weight 0.10000E+01 volume 0.21398E-01 ppm1 2.091 ppm2 1.042 CV 1 ASSI { 453} (( segid " A" and resid 228 and name HB )) ( segid " A" and resid 228 and name HG2%) 2.100 0.600 0.600 peak 453 spectrum 1 weight 0.10000E+01 volume 0.17436E-01 ppm1 2.095 ppm2 0.674 CV 1 ASSI { 454} ( segid " A" and resid 228 and name HG1%) (( segid " A" and resid 228 and name HN )) 3.000 1.100 1.100 peak 454 spectrum 1 weight 0.10000E+01 volume 0.17195E-01 ppm1 1.056 ppm2 7.188 CV 1 ASSI { 455} ( segid " A" and resid 228 and name HG1%) (( segid " A" and resid 228 and name HA )) 2.100 0.600 0.600 peak 455 spectrum 1 weight 0.10000E+01 volume 0.24020E-01 ppm1 1.056 ppm2 3.934 CV 1 ASSI { 457} ( segid " A" and resid 228 and name HG1%) ( segid " A" and resid 228 and name HG2%) 2.000 0.500 0.500 peak 457 spectrum 1 weight 0.10000E+01 volume 0.40016E-01 ppm1 1.056 ppm2 0.672 CV 1 ASSI { 458} ( segid " A" and resid 228 and name HG2%) (( segid " A" and resid 228 and name HN )) 2.400 0.700 0.700 peak 458 spectrum 1 weight 0.10000E+01 volume 0.80091E-02 ppm1 0.680 ppm2 7.187 CV 1 ASSI { 459} ( segid " A" and resid 228 and name HG2%) (( segid " A" and resid 228 and name HA )) 2.500 0.800 0.800 peak 459 spectrum 1 weight 0.10000E+01 volume 0.14715E-01 ppm1 0.679 ppm2 3.931 CV 1 OR { 459} ( segid " A" and resid 216 and name HG1%) (( segid " A" and resid 225 and name HA )) ASSI { 461} ( segid " A" and resid 228 and name HG2%) ( segid " A" and resid 228 and name HG1%) 1.900 0.500 0.500 peak 461 spectrum 1 weight 0.10000E+01 volume 0.45684E-01 ppm1 0.678 ppm2 1.058 CV 1 OR { 461} ( segid " A" and resid 216 and name HG1%) (( segid " A" and resid 225 and name HG11)) ASSI { 462} (( segid " A" and resid 227 and name HA )) (( segid " A" and resid 227 and name HN )) 2.800 1.000 1.000 peak 462 spectrum 1 weight 0.10000E+01 volume 0.48547E-02 ppm1 4.245 ppm2 7.822 CV 1 ASSI { 464} (( segid " A" and resid 227 and name HB1 )) (( segid " A" and resid 227 and name HN )) 2.500 0.800 0.800 peak 464 spectrum 1 weight 0.10000E+01 volume 0.11744E-01 ppm1 4.016 ppm2 7.822 CV 1 OR { 464} (( segid " A" and resid 227 and name HB2 )) (( segid " A" and resid 227 and name HN )) ASSI { 465} (( segid " A" and resid 227 and name HB2 )) (( segid " A" and resid 227 and name HA )) 2.300 0.600 0.600 peak 465 spectrum 1 weight 0.10000E+01 volume 0.19525E-01 ppm1 4.015 ppm2 4.241 CV 1 OR { 465} (( segid " A" and resid 227 and name HB1 )) (( segid " A" and resid 227 and name HA )) ASSI { 466} (( segid " A" and resid 226 and name HA )) (( segid " A" and resid 226 and name HN )) 2.800 0.900 0.900 peak 466 spectrum 1 weight 0.10000E+01 volume 0.34698E-02 ppm1 3.699 ppm2 8.470 CV 1 ASSI { 467} (( segid " A" and resid 226 and name HB2 )) (( segid " A" and resid 226 and name HN )) 2.600 0.800 0.800 peak 467 spectrum 1 weight 0.10000E+01 volume 0.37960E-02 ppm1 2.026 ppm2 8.472 CV 1 ASSI { 468} (( segid " A" and resid 226 and name HB1 )) (( segid " A" and resid 226 and name HN )) 2.700 0.900 0.900 peak 468 spectrum 1 weight 0.10000E+01 volume 0.37960E-02 ppm1 1.982 ppm2 8.471 CV 1 ASSI { 469} (( segid " A" and resid 226 and name HG1 )) (( segid " A" and resid 226 and name HN )) 4.600 2.600 1.400 peak 469 spectrum 1 weight 0.10000E+01 volume 0.98043E-03 ppm1 1.257 ppm2 8.472 CV 1 ASSI { 472} (( segid " A" and resid 142 and name HB1 )) (( segid " A" and resid 157 and name HN )) 3.800 1.800 1.800 peak 472 spectrum 1 weight 0.10000E+01 volume 0.15505E-02 ppm1 2.830 ppm2 8.457 CV 1 ASSI { 473} (( segid " A" and resid 142 and name HB2 )) (( segid " A" and resid 157 and name HN )) 3.400 1.400 1.400 peak 473 spectrum 1 weight 0.10000E+01 volume 0.16404E-02 ppm1 2.621 ppm2 8.461 CV 1 ASSI { 474} (( segid " A" and resid 226 and name HE2 )) (( segid " A" and resid 226 and name HA )) 4.400 2.400 1.600 peak 474 spectrum 1 weight 0.10000E+01 volume 0.24636E-02 ppm1 2.869 ppm2 3.697 CV 1 OR { 474} (( segid " A" and resid 226 and name HE1 )) (( segid " A" and resid 226 and name HA )) ASSI { 475} (( segid " A" and resid 226 and name HE2 )) (( segid " A" and resid 226 and name HN )) 5.300 3.500 0.700 peak 475 spectrum 1 weight 0.10000E+01 volume 0.13133E-02 ppm1 2.873 ppm2 8.474 CV 1 OR { 475} (( segid " A" and resid 226 and name HE1 )) (( segid " A" and resid 226 and name HN )) ASSI { 476} (( segid " A" and resid 226 and name HD1 )) (( segid " A" and resid 226 and name HN )) 4.600 2.600 1.400 peak 476 spectrum 1 weight 0.10000E+01 volume 0.17703E-02 ppm1 1.682 ppm2 8.472 CV 1 OR { 476} (( segid " A" and resid 226 and name HD2 )) (( segid " A" and resid 226 and name HN )) ASSI { 478} (( segid " A" and resid 226 and name HA )) (( segid " A" and resid 226 and name HB2 )) 2.200 0.600 0.600 peak 478 spectrum 1 weight 0.10000E+01 volume 0.75455E-02 ppm1 3.699 ppm2 2.011 CV 1 ASSI { 479} (( segid " A" and resid 226 and name HA )) (( segid " A" and resid 226 and name HB1 )) 2.500 0.800 0.800 peak 479 spectrum 1 weight 0.10000E+01 volume 0.84810E-02 ppm1 3.698 ppm2 1.991 CV 1 ASSI { 480} (( segid " A" and resid 226 and name HA )) (( segid " A" and resid 226 and name HD2 )) 3.700 1.700 1.700 peak 480 spectrum 1 weight 0.10000E+01 volume 0.30445E-02 ppm1 3.701 ppm2 1.672 CV 1 OR { 480} (( segid " A" and resid 226 and name HA )) (( segid " A" and resid 226 and name HD1 )) OR { 480} (( segid " A" and resid 226 and name HA )) (( segid " A" and resid 235 and name HB )) OR { 480} (( segid " A" and resid 125 and name HA )) (( segid " A" and resid 143 and name HB1 )) ASSI { 481} (( segid " A" and resid 226 and name HA )) (( segid " A" and resid 226 and name HG2 )) 2.700 0.900 0.900 peak 481 spectrum 1 weight 0.10000E+01 volume 0.55497E-02 ppm1 3.707 ppm2 1.365 CV 1 ASSI { 482} (( segid " A" and resid 226 and name HA )) (( segid " A" and resid 226 and name HG1 )) 2.300 0.700 0.700 peak 482 spectrum 1 weight 0.10000E+01 volume 0.59284E-02 ppm1 3.707 ppm2 1.259 CV 1 ASSI { 489} (( segid " A" and resid 226 and name HB2 )) (( segid " A" and resid 226 and name HG1 )) 2.400 0.700 0.700 peak 489 spectrum 1 weight 0.10000E+01 volume 0.30919E-02 ppm1 2.023 ppm2 1.256 CV 1 ASSI { 491} (( segid " A" and resid 226 and name HG2 )) (( segid " A" and resid 226 and name HN )) 4.400 2.400 1.600 peak 491 spectrum 1 weight 0.10000E+01 volume 0.13450E-02 ppm1 1.390 ppm2 8.473 CV 1 ASSI { 494} (( segid " A" and resid 226 and name HG1 )) (( segid " A" and resid 226 and name HB1 )) 2.900 1.100 1.100 peak 494 spectrum 1 weight 0.10000E+01 volume 0.38202E-02 ppm1 1.255 ppm2 1.987 CV 1 ASSI { 495} (( segid " A" and resid 226 and name HG2 )) (( segid " A" and resid 226 and name HB1 )) 2.400 0.700 0.700 peak 495 spectrum 1 weight 0.10000E+01 volume 0.50420E-02 ppm1 1.386 ppm2 1.981 CV 1 ASSI { 497} (( segid " A" and resid 226 and name HG2 )) (( segid " A" and resid 226 and name HB2 )) 2.900 1.000 1.000 peak 497 spectrum 1 weight 0.10000E+01 volume 0.44735E-02 ppm1 1.389 ppm2 2.010 CV 1 ASSI { 500} (( segid " A" and resid 226 and name HD1 )) (( segid " A" and resid 226 and name HB1 )) 2.300 0.600 0.600 peak 500 spectrum 1 weight 0.10000E+01 volume 0.10836E-01 ppm1 1.676 ppm2 1.987 CV 1 OR { 500} (( segid " A" and resid 226 and name HD2 )) (( segid " A" and resid 226 and name HB1 )) ASSI { 501} (( segid " A" and resid 226 and name HD1 )) (( segid " A" and resid 226 and name HB2 )) 2.300 0.700 0.700 peak 501 spectrum 1 weight 0.10000E+01 volume 0.10154E-01 ppm1 1.679 ppm2 2.010 CV 1 OR { 501} (( segid " A" and resid 226 and name HD2 )) (( segid " A" and resid 226 and name HB2 )) ASSI { 502} (( segid " A" and resid 226 and name HD1 )) (( segid " A" and resid 226 and name HG1 )) 2.300 0.600 0.600 peak 502 spectrum 1 weight 0.10000E+01 volume 0.93715E-02 ppm1 1.678 ppm2 1.257 CV 1 OR { 502} (( segid " A" and resid 226 and name HD2 )) (( segid " A" and resid 226 and name HG1 )) ASSI { 503} (( segid " A" and resid 226 and name HE2 )) (( segid " A" and resid 226 and name HB1 )) 3.600 1.600 1.600 peak 503 spectrum 1 weight 0.10000E+01 volume 0.60424E-02 ppm1 2.871 ppm2 1.995 CV 1 OR { 503} (( segid " A" and resid 226 and name HE1 )) (( segid " A" and resid 226 and name HB1 )) ASSI { 504} (( segid " A" and resid 226 and name HE2 )) (( segid " A" and resid 226 and name HB2 )) 3.600 1.600 1.600 peak 504 spectrum 1 weight 0.10000E+01 volume 0.53890E-02 ppm1 2.872 ppm2 2.020 CV 1 OR { 504} (( segid " A" and resid 226 and name HE1 )) (( segid " A" and resid 226 and name HB2 )) ASSI { 505} (( segid " A" and resid 226 and name HE1 )) (( segid " A" and resid 226 and name HD2 )) 2.100 0.500 0.500 peak 505 spectrum 1 weight 0.10000E+01 volume 0.24361E-01 ppm1 2.873 ppm2 1.674 CV 1 OR { 505} (( segid " A" and resid 226 and name HE1 )) (( segid " A" and resid 226 and name HD1 )) OR { 505} (( segid " A" and resid 226 and name HE2 )) (( segid " A" and resid 226 and name HD1 )) OR { 505} (( segid " A" and resid 226 and name HE2 )) (( segid " A" and resid 226 and name HD2 )) ASSI { 506} (( segid " A" and resid 226 and name HE2 )) (( segid " A" and resid 226 and name HG2 )) 2.400 0.700 0.700 peak 506 spectrum 1 weight 0.10000E+01 volume 0.81697E-02 ppm1 2.872 ppm2 1.391 CV 1 OR { 506} (( segid " A" and resid 226 and name HE1 )) (( segid " A" and resid 226 and name HG2 )) ASSI { 507} (( segid " A" and resid 226 and name HE2 )) (( segid " A" and resid 226 and name HG1 )) 2.400 0.700 0.700 peak 507 spectrum 1 weight 0.10000E+01 volume 0.85559E-02 ppm1 2.873 ppm2 1.255 CV 1 OR { 507} (( segid " A" and resid 226 and name HE1 )) (( segid " A" and resid 226 and name HG1 )) ASSI { 508} (( segid " A" and resid 225 and name HA )) (( segid " A" and resid 225 and name HN )) 2.800 1.000 1.000 peak 508 spectrum 1 weight 0.10000E+01 volume 0.33425E-02 ppm1 3.942 ppm2 7.350 CV 1 ASSI { 509} (( segid " A" and resid 225 and name HA )) (( segid " A" and resid 225 and name HB )) 3.000 1.100 1.100 peak 509 spectrum 1 weight 0.10000E+01 volume 0.30678E-02 ppm1 3.942 ppm2 1.880 CV 1 ASSI { 511} (( segid " A" and resid 225 and name HA )) (( segid " A" and resid 225 and name HG11)) 3.100 1.200 1.200 peak 511 spectrum 1 weight 0.10000E+01 volume 0.76312E-02 ppm1 3.943 ppm2 1.053 CV 1 OR { 511} (( segid " A" and resid 225 and name HA )) ( segid " A" and resid 280 and name HD1%) ASSI { 512} (( segid " A" and resid 225 and name HA )) ( segid " A" and resid 225 and name HD1%) 2.000 0.500 0.500 peak 512 spectrum 1 weight 0.10000E+01 volume 0.17977E-01 ppm1 3.941 ppm2 0.625 CV 1 ASSI { 513} (( segid " A" and resid 225 and name HA )) ( segid " A" and resid 225 and name HG2%) 2.100 0.500 0.500 peak 513 spectrum 1 weight 0.10000E+01 volume 0.20274E-01 ppm1 3.945 ppm2 0.638 CV 1 ASSI { 514} (( segid " A" and resid 225 and name HB )) (( segid " A" and resid 225 and name HN )) 2.400 0.700 0.700 peak 514 spectrum 1 weight 0.10000E+01 volume 0.78110E-02 ppm1 1.885 ppm2 7.351 CV 1 ASSI { 516} (( segid " A" and resid 225 and name HB )) (( segid " A" and resid 225 and name HG11)) 2.300 0.600 0.600 peak 516 spectrum 1 weight 0.10000E+01 volume 0.84144E-02 ppm1 1.885 ppm2 1.052 CV 1 ASSI { 517} (( segid " A" and resid 225 and name HB )) ( segid " A" and resid 225 and name HG2%) 2.200 0.600 0.600 peak 517 spectrum 1 weight 0.10000E+01 volume 0.15431E-01 ppm1 1.884 ppm2 0.639 CV 1 OR { 517} (( segid " A" and resid 225 and name HB )) ( segid " A" and resid 225 and name HD1%) ASSI { 518} (( segid " A" and resid 225 and name HG11)) (( segid " A" and resid 225 and name HN )) 3.900 1.900 1.900 peak 518 spectrum 1 weight 0.10000E+01 volume 0.34232E-02 ppm1 1.054 ppm2 7.348 CV 1 ASSI { 519} ( segid " A" and resid 168 and name HD2%) ( segid " A" and resid 135 and name HE% ) 4.000 2.000 2.000 peak 519 spectrum 1 weight 0.10000E+01 volume 0.34656E-02 ppm1 1.029 ppm2 7.356 CV 1 OR { 519} ( segid " A" and resid 168 and name HD2%) (( segid " A" and resid 167 and name HN )) ASSI { 520} (( segid " A" and resid 225 and name HG12)) (( segid " A" and resid 225 and name HN )) 2.200 0.600 0.600 peak 520 spectrum 1 weight 0.10000E+01 volume 0.45667E-02 ppm1 1.514 ppm2 7.352 CV 1 ASSI { 521} (( segid " A" and resid 225 and name HG11)) (( segid " A" and resid 225 and name HA )) 3.900 1.900 1.900 peak 521 spectrum 1 weight 0.10000E+01 volume 0.22056E-02 ppm1 1.056 ppm2 3.936 CV 1 ASSI { 522} (( segid " A" and resid 225 and name HG12)) (( segid " A" and resid 225 and name HA )) 3.100 1.200 1.200 peak 522 spectrum 1 weight 0.10000E+01 volume 0.33375E-02 ppm1 1.516 ppm2 3.942 CV 1 ASSI { 523} (( segid " A" and resid 225 and name HG12)) (( segid " A" and resid 225 and name HB )) 2.400 0.700 0.700 peak 523 spectrum 1 weight 0.10000E+01 volume 0.60707E-02 ppm1 1.505 ppm2 1.893 CV 1 ASSI { 525} (( segid " A" and resid 225 and name HG11)) (( segid " A" and resid 225 and name HG12)) 1.600 0.300 0.600 peak 525 spectrum 1 weight 0.10000E+01 volume 0.16363E-01 ppm1 1.055 ppm2 1.512 CV 1 ASSI { 526} ( segid " A" and resid 168 and name HD2%) (( segid " A" and resid 168 and name HB1 )) 2.200 0.600 0.600 peak 526 spectrum 1 weight 0.10000E+01 volume 0.13242E-01 ppm1 1.031 ppm2 1.529 CV 1 ASSI { 528} (( segid " A" and resid 225 and name HG11)) ( segid " A" and resid 225 and name HG2%) 2.000 0.500 0.500 peak 528 spectrum 1 weight 0.10000E+01 volume 0.20058E-01 ppm1 1.062 ppm2 0.634 CV 1 ASSI { 529} (( segid " A" and resid 225 and name HG12)) ( segid " A" and resid 225 and name HD1%) 2.200 0.600 0.600 peak 529 spectrum 1 weight 0.10000E+01 volume 0.15206E-01 ppm1 1.514 ppm2 0.654 CV 1 OR { 529} (( segid " A" and resid 225 and name HG12)) ( segid " A" and resid 225 and name HG2%) ASSI { 530} (( segid " A" and resid 225 and name HG12)) ( segid " A" and resid 225 and name HD1%) 2.100 0.500 0.500 peak 530 spectrum 1 weight 0.10000E+01 volume 0.15089E-01 ppm1 1.507 ppm2 0.640 CV 1 ASSI { 531} (( segid " A" and resid 225 and name HG11)) ( segid " A" and resid 225 and name HD1%) 2.000 0.500 0.500 peak 531 spectrum 1 weight 0.10000E+01 volume 0.19284E-01 ppm1 1.062 ppm2 0.617 CV 1 ASSI { 532} ( segid " A" and resid 225 and name HG2%) (( segid " A" and resid 225 and name HN )) 3.800 1.800 1.800 peak 532 spectrum 1 weight 0.10000E+01 volume 0.37303E-02 ppm1 0.637 ppm2 7.350 CV 1 ASSI { 534} ( segid " A" and resid 225 and name HG2%) (( segid " A" and resid 225 and name HB )) 2.100 0.600 0.600 peak 534 spectrum 1 weight 0.10000E+01 volume 0.14182E-01 ppm1 0.638 ppm2 1.882 CV 1 ASSI { 535} ( segid " A" and resid 225 and name HG2%) (( segid " A" and resid 225 and name HG12)) 3.200 1.300 1.300 peak 535 spectrum 1 weight 0.10000E+01 volume 0.61556E-02 ppm1 0.637 ppm2 1.516 CV 1 ASSI { 537} ( segid " A" and resid 225 and name HD1%) (( segid " A" and resid 225 and name HN )) 3.700 1.700 1.700 peak 537 spectrum 1 weight 0.10000E+01 volume 0.25335E-02 ppm1 0.636 ppm2 7.352 CV 1 ASSI { 539} ( segid " A" and resid 225 and name HD1%) (( segid " A" and resid 225 and name HB )) 3.600 1.600 1.600 peak 539 spectrum 1 weight 0.10000E+01 volume 0.37253E-02 ppm1 0.634 ppm2 1.883 CV 1 ASSI { 542} (( segid " A" and resid 224 and name HA )) (( segid " A" and resid 224 and name HN )) 3.300 1.400 1.400 peak 542 spectrum 1 weight 0.10000E+01 volume 0.23362E-02 ppm1 4.402 ppm2 7.637 CV 1 OR { 542} (( segid " A" and resid 199 and name HA )) (( segid " A" and resid 200 and name HN )) OR { 542} (( segid " A" and resid 223 and name HA )) (( segid " A" and resid 224 and name HN )) ASSI { 543} (( segid " A" and resid 224 and name HB2 )) (( segid " A" and resid 224 and name HN )) 3.000 1.100 1.100 peak 543 spectrum 1 weight 0.10000E+01 volume 0.23662E-02 ppm1 2.687 ppm2 7.625 CV 1 ASSI { 544} (( segid " A" and resid 224 and name HB1 )) (( segid " A" and resid 224 and name HN )) 3.500 1.500 1.500 peak 544 spectrum 1 weight 0.10000E+01 volume 0.30636E-02 ppm1 2.985 ppm2 7.630 CV 1 ASSI { 546} (( segid " A" and resid 224 and name HB1 )) (( segid " A" and resid 224 and name HA )) 2.700 0.900 0.900 peak 546 spectrum 1 weight 0.10000E+01 volume 0.68081E-02 ppm1 2.994 ppm2 4.404 CV 1 ASSI { 548} (( segid " A" and resid 224 and name HA )) (( segid " A" and resid 224 and name HB2 )) 2.700 0.900 0.900 peak 548 spectrum 1 weight 0.10000E+01 volume 0.77352E-02 ppm1 4.409 ppm2 2.677 CV 1 ASSI { 550} (( segid " A" and resid 223 and name HA )) (( segid " A" and resid 223 and name HB1 )) 2.700 0.900 0.900 peak 550 spectrum 1 weight 0.10000E+01 volume 0.86890E-02 ppm1 4.402 ppm2 2.655 CV 1 ASSI { 551} (( segid " A" and resid 223 and name HB1 )) (( segid " A" and resid 223 and name HN )) 4.200 2.200 1.800 peak 551 spectrum 1 weight 0.10000E+01 volume 0.86724E-03 ppm1 2.644 ppm2 8.312 CV 1 ASSI { 552} (( segid " A" and resid 223 and name HB2 )) (( segid " A" and resid 223 and name HN )) 3.500 1.500 1.500 peak 552 spectrum 1 weight 0.10000E+01 volume 0.14124E-02 ppm1 2.517 ppm2 8.307 CV 1 ASSI { 553} (( segid " A" and resid 223 and name HB2 )) (( segid " A" and resid 223 and name HA )) 2.900 1.100 1.100 peak 553 spectrum 1 weight 0.10000E+01 volume 0.53091E-02 ppm1 2.511 ppm2 4.393 CV 1 ASSI { 555} (( segid " A" and resid 223 and name HB2 )) (( segid " A" and resid 223 and name HB1 )) 1.800 0.400 0.400 peak 555 spectrum 1 weight 0.10000E+01 volume 0.27723E-01 ppm1 2.512 ppm2 2.641 CV 1 ASSI { 557} (( segid " A" and resid 222 and name HA )) (( segid " A" and resid 222 and name HN )) 3.100 1.200 1.200 peak 557 spectrum 1 weight 0.10000E+01 volume 0.23129E-02 ppm1 3.739 ppm2 9.194 CV 1 ASSI { 558} (( segid " A" and resid 222 and name HA )) (( segid " A" and resid 222 and name HB1 )) 2.400 0.700 0.700 peak 558 spectrum 1 weight 0.10000E+01 volume 0.93049E-02 ppm1 3.740 ppm2 2.610 CV 1 OR { 558} (( segid " A" and resid 222 and name HA )) (( segid " A" and resid 222 and name HB2 )) ASSI { 559} (( segid " A" and resid 222 and name HB1 )) (( segid " A" and resid 222 and name HN )) 3.100 1.200 1.200 peak 559 spectrum 1 weight 0.10000E+01 volume 0.26741E-02 ppm1 2.613 ppm2 9.190 CV 1 OR { 559} (( segid " A" and resid 222 and name HB2 )) (( segid " A" and resid 222 and name HN )) ASSI { 561} (( segid " A" and resid 221 and name HB1 )) (( segid " A" and resid 221 and name HN )) 3.000 1.200 1.200 peak 561 spectrum 1 weight 0.10000E+01 volume 0.37494E-02 ppm1 3.991 ppm2 9.471 CV 1 ASSI { 562} (( segid " A" and resid 221 and name HB2 )) (( segid " A" and resid 221 and name HN )) 3.300 1.400 1.400 peak 562 spectrum 1 weight 0.10000E+01 volume 0.17819E-02 ppm1 4.207 ppm2 9.467 CV 1 ASSI { 563} (( segid " A" and resid 221 and name HB1 )) (( segid " A" and resid 221 and name HA )) 2.500 0.800 0.800 peak 563 spectrum 1 weight 0.10000E+01 volume 0.84394E-02 ppm1 3.991 ppm2 4.768 CV 1 ASSI { 564} (( segid " A" and resid 221 and name HB2 )) (( segid " A" and resid 221 and name HA )) 2.700 0.900 0.900 peak 564 spectrum 1 weight 0.10000E+01 volume 0.64485E-02 ppm1 4.210 ppm2 4.768 CV 1 ASSI { 565} (( segid " A" and resid 221 and name HB1 )) (( segid " A" and resid 221 and name HB2 )) 1.800 0.400 0.400 peak 565 spectrum 1 weight 0.10000E+01 volume 0.24777E-01 ppm1 3.992 ppm2 4.204 CV 1 ASSI { 567} (( segid " A" and resid 220 and name HB1 )) (( segid " A" and resid 220 and name HN )) 3.700 1.700 1.700 peak 567 spectrum 1 weight 0.10000E+01 volume 0.21057E-02 ppm1 1.999 ppm2 7.927 CV 1 ASSI { 568} (( segid " A" and resid 220 and name HB2 )) (( segid " A" and resid 220 and name HN )) 3.000 1.100 1.100 peak 568 spectrum 1 weight 0.10000E+01 volume 0.16496E-02 ppm1 1.278 ppm2 7.927 CV 1 ASSI { 569} (( segid " A" and resid 220 and name HB2 )) (( segid " A" and resid 220 and name HB1 )) 2.100 0.500 0.500 peak 569 spectrum 1 weight 0.10000E+01 volume 0.54365E-02 ppm1 1.284 ppm2 1.995 CV 1 ASSI { 570} (( segid " A" and resid 220 and name HB2 )) (( segid " A" and resid 220 and name HG )) 3.400 1.400 1.400 peak 570 spectrum 1 weight 0.10000E+01 volume 0.17045E-02 ppm1 1.283 ppm2 1.661 CV 1 ASSI { 571} (( segid " A" and resid 220 and name HB1 )) (( segid " A" and resid 220 and name HG )) 3.200 1.300 1.300 peak 571 spectrum 1 weight 0.10000E+01 volume 0.14964E-02 ppm1 2.000 ppm2 1.668 CV 1 ASSI { 577} (( segid " A" and resid 220 and name HG )) (( segid " A" and resid 220 and name HN )) 3.600 1.600 1.600 peak 577 spectrum 1 weight 0.10000E+01 volume 0.27107E-02 ppm1 1.663 ppm2 7.927 CV 1 ASSI { 578} (( segid " A" and resid 220 and name HG )) (( segid " A" and resid 220 and name HA )) 3.100 1.200 1.200 peak 578 spectrum 1 weight 0.10000E+01 volume 0.22530E-02 ppm1 1.671 ppm2 4.628 CV 1 ASSI { 581} ( segid " A" and resid 220 and name HD2%) (( segid " A" and resid 220 and name HN )) 3.700 1.700 1.700 peak 581 spectrum 1 weight 0.10000E+01 volume 0.36354E-02 ppm1 0.931 ppm2 7.925 CV 1 ASSI { 582} ( segid " A" and resid 220 and name HD2%) (( segid " A" and resid 220 and name HA )) 3.300 1.300 1.300 peak 582 spectrum 1 weight 0.10000E+01 volume 0.42796E-02 ppm1 0.938 ppm2 4.633 CV 1 ASSI { 583} ( segid " A" and resid 220 and name HD2%) (( segid " A" and resid 220 and name HB1 )) 2.500 0.800 0.800 peak 583 spectrum 1 weight 0.10000E+01 volume 0.84810E-02 ppm1 0.931 ppm2 1.999 CV 1 ASSI { 584} ( segid " A" and resid 220 and name HD2%) (( segid " A" and resid 220 and name HB2 )) 2.600 0.900 0.900 peak 584 spectrum 1 weight 0.10000E+01 volume 0.83561E-02 ppm1 0.934 ppm2 1.288 CV 1 ASSI { 585} ( segid " A" and resid 220 and name HD2%) (( segid " A" and resid 220 and name HG )) 2.300 0.600 0.600 peak 585 spectrum 1 weight 0.10000E+01 volume 0.13108E-01 ppm1 0.930 ppm2 1.658 CV 1 ASSI { 586} ( segid " A" and resid 220 and name HD1%) (( segid " A" and resid 220 and name HN )) 3.500 1.500 1.500 peak 586 spectrum 1 weight 0.10000E+01 volume 0.41190E-02 ppm1 0.801 ppm2 7.926 CV 1 ASSI { 587} ( segid " A" and resid 220 and name HD1%) (( segid " A" and resid 220 and name HA )) 2.300 0.700 0.700 peak 587 spectrum 1 weight 0.10000E+01 volume 0.17170E-01 ppm1 0.801 ppm2 4.621 CV 1 ASSI { 588} ( segid " A" and resid 220 and name HD1%) (( segid " A" and resid 220 and name HB1 )) 3.000 1.100 1.100 peak 588 spectrum 1 weight 0.10000E+01 volume 0.88139E-02 ppm1 0.801 ppm2 1.999 CV 1 ASSI { 589} ( segid " A" and resid 220 and name HD1%) (( segid " A" and resid 220 and name HB2 )) 2.400 0.700 0.700 peak 589 spectrum 1 weight 0.10000E+01 volume 0.10220E-01 ppm1 0.801 ppm2 1.287 CV 1 ASSI { 590} ( segid " A" and resid 220 and name HD1%) (( segid " A" and resid 220 and name HG )) 2.200 0.600 0.600 peak 590 spectrum 1 weight 0.10000E+01 volume 0.16579E-01 ppm1 0.800 ppm2 1.665 CV 1 ASSI { 591} ( segid " A" and resid 220 and name HD1%) ( segid " A" and resid 220 and name HD2%) 2.000 0.500 0.500 peak 591 spectrum 1 weight 0.10000E+01 volume 0.46167E-01 ppm1 0.801 ppm2 0.925 CV 1 ASSI { 592} (( segid " A" and resid 219 and name HB1 )) (( segid " A" and resid 219 and name HN )) 3.400 1.400 1.400 peak 592 spectrum 1 weight 0.10000E+01 volume 0.26508E-02 ppm1 2.720 ppm2 10.840 CV 1 ASSI { 593} (( segid " A" and resid 219 and name HB2 )) (( segid " A" and resid 219 and name HN )) 3.000 1.100 1.100 peak 593 spectrum 1 weight 0.10000E+01 volume 0.24269E-02 ppm1 2.881 ppm2 10.840 CV 1 ASSI { 594} (( segid " A" and resid 219 and name HB1 )) (( segid " A" and resid 219 and name HB2 )) 1.900 0.500 0.500 peak 594 spectrum 1 weight 0.10000E+01 volume 0.14490E-01 ppm1 2.719 ppm2 2.869 CV 1 ASSI { 596} (( segid " A" and resid 218 and name HA )) (( segid " A" and resid 218 and name HN )) 2.700 0.900 0.900 peak 596 spectrum 1 weight 0.10000E+01 volume 0.50012E-02 ppm1 3.625 ppm2 7.929 CV 1 ASSI { 598} (( segid " A" and resid 218 and name HA )) (( segid " A" and resid 218 and name HB2 )) 2.500 0.800 0.800 peak 598 spectrum 1 weight 0.10000E+01 volume 0.83561E-02 ppm1 3.627 ppm2 1.771 CV 1 ASSI { 599} (( segid " A" and resid 218 and name HA )) (( segid " A" and resid 218 and name HB1 )) 2.500 0.800 0.800 peak 599 spectrum 1 weight 0.10000E+01 volume 0.73000E-02 ppm1 3.621 ppm2 1.835 CV 1 ASSI { 600} (( segid " A" and resid 218 and name HB2 )) (( segid " A" and resid 218 and name HN )) 3.600 1.600 1.600 peak 600 spectrum 1 weight 0.10000E+01 volume 0.46408E-02 ppm1 1.771 ppm2 7.932 CV 1 ASSI { 601} (( segid " A" and resid 218 and name HB1 )) (( segid " A" and resid 218 and name HN )) 2.700 0.900 0.900 peak 601 spectrum 1 weight 0.10000E+01 volume 0.44402E-02 ppm1 1.836 ppm2 7.934 CV 1 ASSI { 604} (( segid " A" and resid 218 and name HG2 )) (( segid " A" and resid 218 and name HN )) 2.400 0.700 0.700 peak 604 spectrum 1 weight 0.10000E+01 volume 0.38060E-02 ppm1 2.073 ppm2 7.932 CV 1 ASSI { 605} (( segid " A" and resid 218 and name HG1 )) (( segid " A" and resid 218 and name HN )) 3.700 1.700 1.700 peak 605 spectrum 1 weight 0.10000E+01 volume 0.34415E-02 ppm1 2.188 ppm2 7.932 CV 1 ASSI { 606} (( segid " A" and resid 218 and name HG2 )) (( segid " A" and resid 218 and name HA )) 3.900 1.900 1.900 peak 606 spectrum 1 weight 0.10000E+01 volume 0.24336E-02 ppm1 2.070 ppm2 3.629 CV 1 ASSI { 607} (( segid " A" and resid 218 and name HG1 )) (( segid " A" and resid 218 and name HA )) 3.800 1.800 1.800 peak 607 spectrum 1 weight 0.10000E+01 volume 0.26067E-02 ppm1 2.189 ppm2 3.623 CV 1 ASSI { 608} (( segid " A" and resid 218 and name HG1 )) (( segid " A" and resid 218 and name HG2 )) 1.300 0.200 0.900 peak 608 spectrum 1 weight 0.10000E+01 volume 0.78742E-01 ppm1 2.188 ppm2 2.073 CV 1 ASSI { 610} (( segid " A" and resid 218 and name HG1 )) (( segid " A" and resid 218 and name HB2 )) 2.200 0.600 0.600 peak 610 spectrum 1 weight 0.10000E+01 volume 0.12859E-01 ppm1 2.186 ppm2 1.794 CV 1 ASSI { 611} (( segid " A" and resid 218 and name HG2 )) (( segid " A" and resid 218 and name HB1 )) 2.200 0.600 0.600 peak 611 spectrum 1 weight 0.10000E+01 volume 0.12576E-01 ppm1 2.071 ppm2 1.816 CV 1 ASSI { 612} (( segid " A" and resid 218 and name HG2 )) (( segid " A" and resid 218 and name HB2 )) 2.800 0.900 0.900 peak 612 spectrum 1 weight 0.10000E+01 volume 0.11527E-01 ppm1 2.073 ppm2 1.788 CV 1 ASSI { 613} (( segid " A" and resid 218 and name HG1 )) (( segid " A" and resid 218 and name HB1 )) 2.700 0.900 0.900 peak 613 spectrum 1 weight 0.10000E+01 volume 0.11952E-01 ppm1 2.189 ppm2 1.828 CV 1 ASSI { 614} (( segid " A" and resid 217 and name HA )) (( segid " A" and resid 217 and name HN )) 2.900 1.000 1.000 peak 614 spectrum 1 weight 0.10000E+01 volume 0.35697E-02 ppm1 3.901 ppm2 9.095 CV 1 ASSI { 615} (( segid " A" and resid 217 and name HA )) (( segid " A" and resid 217 and name HB2 )) 2.700 0.900 0.900 peak 615 spectrum 1 weight 0.10000E+01 volume 0.46267E-02 ppm1 3.899 ppm2 3.090 CV 1 ASSI { 616} (( segid " A" and resid 217 and name HA )) (( segid " A" and resid 217 and name HB1 )) 3.100 1.200 1.200 peak 616 spectrum 1 weight 0.10000E+01 volume 0.36829E-02 ppm1 3.898 ppm2 2.841 CV 1 ASSI { 617} (( segid " A" and resid 217 and name HB1 )) (( segid " A" and resid 217 and name HN )) 3.200 1.300 1.300 peak 617 spectrum 1 weight 0.10000E+01 volume 0.24136E-02 ppm1 2.843 ppm2 9.099 CV 1 ASSI { 618} (( segid " A" and resid 217 and name HB2 )) (( segid " A" and resid 217 and name HN )) 2.700 0.900 0.900 peak 618 spectrum 1 weight 0.10000E+01 volume 0.32859E-02 ppm1 3.091 ppm2 9.097 CV 1 ASSI { 621} (( segid " A" and resid 217 and name HB1 )) (( segid " A" and resid 217 and name HB2 )) 2.100 0.500 0.500 peak 621 spectrum 1 weight 0.10000E+01 volume 0.60707E-02 ppm1 2.841 ppm2 3.088 CV 1 ASSI { 623} (( segid " A" and resid 216 and name HA )) (( segid " A" and resid 216 and name HN )) 3.200 1.300 1.300 peak 623 spectrum 1 weight 0.10000E+01 volume 0.16945E-02 ppm1 3.537 ppm2 8.076 CV 1 ASSI { 624} (( segid " A" and resid 216 and name HA )) (( segid " A" and resid 216 and name HB )) 3.400 1.400 1.400 peak 624 spectrum 1 weight 0.10000E+01 volume 0.16304E-02 ppm1 3.530 ppm2 1.291 CV 1 ASSI { 627} (( segid " A" and resid 216 and name HB )) (( segid " A" and resid 216 and name HN )) 2.700 0.900 0.900 peak 627 spectrum 1 weight 0.10000E+01 volume 0.45268E-02 ppm1 1.293 ppm2 8.074 CV 1 ASSI { 631} ( segid " A" and resid 216 and name HG1%) (( segid " A" and resid 216 and name HN )) 4.100 2.100 1.900 peak 631 spectrum 1 weight 0.10000E+01 volume 0.28381E-02 ppm1 0.668 ppm2 8.076 CV 1 ASSI { 632} ( segid " A" and resid 216 and name HG1%) (( segid " A" and resid 216 and name HA )) 2.500 0.800 0.800 peak 632 spectrum 1 weight 0.10000E+01 volume 0.71293E-02 ppm1 0.669 ppm2 3.534 CV 1 ASSI { 633} ( segid " A" and resid 216 and name HG1%) (( segid " A" and resid 216 and name HB )) 2.200 0.600 0.600 peak 633 spectrum 1 weight 0.10000E+01 volume 0.15089E-01 ppm1 0.668 ppm2 1.289 CV 1 ASSI { 634} ( segid " A" and resid 216 and name HG1%) ( segid " A" and resid 216 and name HG2%) 2.200 0.600 0.600 peak 634 spectrum 1 weight 0.10000E+01 volume 0.17761E-01 ppm1 0.669 ppm2 0.381 CV 1 ASSI { 635} ( segid " A" and resid 216 and name HG2%) (( segid " A" and resid 216 and name HN )) 2.300 0.600 0.600 peak 635 spectrum 1 weight 0.10000E+01 volume 0.10553E-01 ppm1 0.381 ppm2 8.077 CV 1 ASSI { 636} ( segid " A" and resid 216 and name HG2%) (( segid " A" and resid 216 and name HA )) 2.500 0.800 0.800 peak 636 spectrum 1 weight 0.10000E+01 volume 0.77444E-02 ppm1 0.380 ppm2 3.533 CV 1 ASSI { 637} ( segid " A" and resid 216 and name HG2%) (( segid " A" and resid 216 and name HB )) 2.000 0.500 0.500 peak 637 spectrum 1 weight 0.10000E+01 volume 0.26708E-01 ppm1 0.381 ppm2 1.280 CV 1 ASSI { 638} ( segid " A" and resid 216 and name HG2%) ( segid " A" and resid 216 and name HG1%) 2.000 0.500 0.500 peak 638 spectrum 1 weight 0.10000E+01 volume 0.41140E-01 ppm1 0.382 ppm2 0.653 CV 1 OR { 638} ( segid " A" and resid 213 and name HG1%) ( segid " A" and resid 225 and name HG2%) OR { 638} ( segid " A" and resid 216 and name HG2%) ( segid " A" and resid 225 and name HD1%) ASSI { 639} (( segid " A" and resid 215 and name HA )) (( segid " A" and resid 215 and name HN )) 2.400 0.700 0.700 peak 639 spectrum 1 weight 0.10000E+01 volume 0.91052E-02 ppm1 3.844 ppm2 8.291 CV 1 ASSI { 640} (( segid " A" and resid 215 and name HA )) (( segid " A" and resid 215 and name HB1 )) 3.000 1.100 1.100 peak 640 spectrum 1 weight 0.10000E+01 volume 0.38859E-02 ppm1 3.845 ppm2 4.439 CV 1 ASSI { 641} (( segid " A" and resid 215 and name HA )) (( segid " A" and resid 215 and name HB2 )) 2.800 1.000 1.000 peak 641 spectrum 1 weight 0.10000E+01 volume 0.43462E-02 ppm1 3.841 ppm2 4.258 CV 1 ASSI { 642} (( segid " A" and resid 214 and name HA )) (( segid " A" and resid 214 and name HN )) 3.100 1.200 1.200 peak 642 spectrum 1 weight 0.10000E+01 volume 0.20466E-02 ppm1 5.093 ppm2 8.987 CV 1 ASSI { 644} ( segid " A" and resid 214 and name HB% ) (( segid " A" and resid 214 and name HN )) 2.500 0.800 0.800 peak 644 spectrum 1 weight 0.10000E+01 volume 0.72151E-02 ppm1 1.268 ppm2 8.989 CV 1 ASSI { 645} ( segid " A" and resid 214 and name HB% ) (( segid " A" and resid 214 and name HA )) 2.300 0.600 0.600 peak 645 spectrum 1 weight 0.10000E+01 volume 0.11061E-01 ppm1 1.268 ppm2 5.093 CV 1 ASSI { 646} (( segid " A" and resid 213 and name HB )) (( segid " A" and resid 213 and name HN )) 3.300 1.400 1.400 peak 646 spectrum 1 weight 0.10000E+01 volume 0.49812E-02 ppm1 1.248 ppm2 7.691 CV 1 ASSI { 647} (( segid " A" and resid 213 and name HB )) (( segid " A" and resid 213 and name HA )) 2.600 0.800 0.800 peak 647 spectrum 1 weight 0.10000E+01 volume 0.46608E-02 ppm1 1.247 ppm2 4.564 CV 1 ASSI { 648} (( segid " A" and resid 213 and name HB )) ( segid " A" and resid 213 and name HG1%) 2.100 0.500 0.500 peak 648 spectrum 1 weight 0.10000E+01 volume 0.18027E-01 ppm1 1.246 ppm2 0.382 CV 1 ASSI { 649} (( segid " A" and resid 213 and name HB )) ( segid " A" and resid 213 and name HG2%) 2.200 0.600 0.600 peak 649 spectrum 1 weight 0.10000E+01 volume 0.16246E-01 ppm1 1.247 ppm2 0.448 CV 1 ASSI { 650} ( segid " A" and resid 213 and name HG1%) (( segid " A" and resid 213 and name HN )) 2.700 0.900 0.900 peak 650 spectrum 1 weight 0.10000E+01 volume 0.57910E-02 ppm1 0.385 ppm2 7.697 CV 1 ASSI { 651} ( segid " A" and resid 213 and name HG1%) (( segid " A" and resid 213 and name HA )) 2.500 0.800 0.800 peak 651 spectrum 1 weight 0.10000E+01 volume 0.70727E-02 ppm1 0.384 ppm2 4.567 CV 1 ASSI { 653} ( segid " A" and resid 213 and name HG2%) (( segid " A" and resid 213 and name HN )) 2.500 0.800 0.800 peak 653 spectrum 1 weight 0.10000E+01 volume 0.60424E-02 ppm1 0.442 ppm2 7.698 CV 1 ASSI { 654} ( segid " A" and resid 213 and name HG2%) (( segid " A" and resid 213 and name HA )) 3.100 1.200 1.200 peak 654 spectrum 1 weight 0.10000E+01 volume 0.64677E-02 ppm1 0.442 ppm2 4.564 CV 1 ASSI { 656} (( segid " A" and resid 212 and name HB2 )) (( segid " A" and resid 212 and name HN )) 3.600 1.600 1.600 peak 656 spectrum 1 weight 0.10000E+01 volume 0.17087E-02 ppm1 2.525 ppm2 9.166 CV 1 ASSI { 657} (( segid " A" and resid 212 and name HB1 )) (( segid " A" and resid 212 and name HN )) 2.800 1.000 1.000 peak 657 spectrum 1 weight 0.10000E+01 volume 0.25867E-02 ppm1 2.334 ppm2 9.166 CV 1 ASSI { 658} (( segid " A" and resid 212 and name HB2 )) (( segid " A" and resid 212 and name HA )) 3.000 1.100 1.100 peak 658 spectrum 1 weight 0.10000E+01 volume 0.13833E-02 ppm1 2.523 ppm2 4.723 CV 1 ASSI { 659} (( segid " A" and resid 212 and name HB1 )) (( segid " A" and resid 212 and name HA )) 3.300 1.300 1.300 peak 659 spectrum 1 weight 0.10000E+01 volume 0.29929E-02 ppm1 2.331 ppm2 4.725 CV 1 ASSI { 660} (( segid " A" and resid 212 and name HB1 )) (( segid " A" and resid 212 and name HB2 )) 2.200 0.600 0.600 peak 660 spectrum 1 weight 0.10000E+01 volume 0.38768E-02 ppm1 2.329 ppm2 2.520 CV 1 ASSI { 662} (( segid " A" and resid 210 and name HA )) (( segid " A" and resid 211 and name HN )) 2.500 0.800 0.800 peak 662 spectrum 1 weight 0.10000E+01 volume 0.46741E-02 ppm1 5.736 ppm2 9.515 CV 1 ASSI { 663} (( segid " A" and resid 210 and name HA )) (( segid " A" and resid 257 and name HN )) 4.200 2.200 1.800 peak 663 spectrum 1 weight 0.10000E+01 volume 0.14140E-02 ppm1 5.730 ppm2 8.847 CV 1 ASSI { 664} (( segid " A" and resid 211 and name HA )) (( segid " A" and resid 211 and name HN )) 2.800 1.000 1.000 peak 664 spectrum 1 weight 0.10000E+01 volume 0.20624E-02 ppm1 5.080 ppm2 9.507 CV 1 ASSI { 666} (( segid " A" and resid 211 and name HB )) (( segid " A" and resid 211 and name HN )) 4.200 2.200 1.800 peak 666 spectrum 1 weight 0.10000E+01 volume 0.83395E-03 ppm1 1.979 ppm2 9.509 CV 1 ASSI { 667} (( segid " A" and resid 211 and name HB )) (( segid " A" and resid 211 and name HA )) 2.400 0.700 0.700 peak 667 spectrum 1 weight 0.10000E+01 volume 0.48880E-02 ppm1 1.983 ppm2 5.075 CV 1 ASSI { 668} ( segid " A" and resid 211 and name HG2%) (( segid " A" and resid 211 and name HN )) 3.000 1.100 1.100 peak 668 spectrum 1 weight 0.10000E+01 volume 0.31960E-02 ppm1 0.972 ppm2 9.514 CV 1 ASSI { 669} ( segid " A" and resid 211 and name HD1%) (( segid " A" and resid 211 and name HN )) 4.300 2.300 1.700 peak 669 spectrum 1 weight 0.10000E+01 volume 0.20957E-02 ppm1 0.754 ppm2 9.518 CV 1 ASSI { 670} (( segid " A" and resid 211 and name HG12)) (( segid " A" and resid 211 and name HN )) 3.000 1.100 1.100 peak 670 spectrum 1 weight 0.10000E+01 volume 0.12051E-02 ppm1 1.261 ppm2 9.523 CV 1 ASSI { 671} (( segid " A" and resid 211 and name HG11)) (( segid " A" and resid 211 and name HN )) 3.700 1.700 1.700 peak 671 spectrum 1 weight 0.10000E+01 volume 0.12484E-02 ppm1 1.073 ppm2 9.510 CV 1 ASSI { 672} (( segid " A" and resid 207 and name HA )) (( segid " A" and resid 207 and name HN )) 2.800 1.000 1.000 peak 672 spectrum 1 weight 0.10000E+01 volume 0.62979E-02 ppm1 4.121 ppm2 7.304 CV 1 ASSI { 673} (( segid " A" and resid 207 and name HA )) ( segid " A" and resid 207 and name HB% ) 2.200 0.600 0.600 peak 673 spectrum 1 weight 0.10000E+01 volume 0.28672E-01 ppm1 4.121 ppm2 1.157 CV 1 ASSI { 674} ( segid " A" and resid 207 and name HB% ) (( segid " A" and resid 207 and name HN )) 2.200 0.600 0.600 peak 674 spectrum 1 weight 0.10000E+01 volume 0.22463E-01 ppm1 1.157 ppm2 7.301 CV 1 ASSI { 676} (( segid " A" and resid 206 and name HA )) (( segid " A" and resid 206 and name HN )) 2.600 0.900 0.900 peak 676 spectrum 1 weight 0.10000E+01 volume 0.73191E-02 ppm1 4.197 ppm2 7.486 CV 1 ASSI { 677} (( segid " A" and resid 206 and name HA )) (( segid " A" and resid 206 and name HD1 )) 4.400 2.400 1.600 peak 677 spectrum 1 weight 0.10000E+01 volume 0.27807E-02 ppm1 4.196 ppm2 3.276 CV 1 OR { 677} (( segid " A" and resid 206 and name HA )) (( segid " A" and resid 206 and name HD2 )) ASSI { 678} (( segid " A" and resid 206 and name HA )) (( segid " A" and resid 206 and name HB1 )) 2.100 0.600 0.600 peak 678 spectrum 1 weight 0.10000E+01 volume 0.23529E-01 ppm1 4.198 ppm2 1.981 CV 1 OR { 678} (( segid " A" and resid 206 and name HA )) (( segid " A" and resid 206 and name HB2 )) ASSI { 679} (( segid " A" and resid 206 and name HA )) (( segid " A" and resid 206 and name HG1 )) 2.400 0.700 0.700 peak 679 spectrum 1 weight 0.10000E+01 volume 0.23529E-01 ppm1 4.198 ppm2 2.003 CV 1 ASSI { 680} (( segid " A" and resid 206 and name HA )) (( segid " A" and resid 206 and name HG2 )) 2.600 0.800 0.800 peak 680 spectrum 1 weight 0.10000E+01 volume 0.68838E-02 ppm1 4.197 ppm2 1.755 CV 1 ASSI { 681} (( segid " A" and resid 206 and name HB2 )) (( segid " A" and resid 206 and name HN )) 2.400 0.700 0.700 peak 681 spectrum 1 weight 0.10000E+01 volume 0.12784E-01 ppm1 1.996 ppm2 7.485 CV 1 OR { 681} (( segid " A" and resid 206 and name HB1 )) (( segid " A" and resid 206 and name HN )) ASSI { 683} (( segid " A" and resid 206 and name HB1 )) (( segid " A" and resid 206 and name HG2 )) 2.100 0.500 0.500 peak 683 spectrum 1 weight 0.10000E+01 volume 0.27424E-01 ppm1 1.993 ppm2 1.758 CV 1 OR { 683} (( segid " A" and resid 206 and name HB2 )) (( segid " A" and resid 206 and name HG2 )) ASSI { 684} (( segid " A" and resid 206 and name HG1 )) (( segid " A" and resid 206 and name HN )) 2.100 0.500 0.500 peak 684 spectrum 1 weight 0.10000E+01 volume 0.69313E-02 ppm1 2.007 ppm2 7.483 CV 1 ASSI { 685} (( segid " A" and resid 206 and name HG2 )) (( segid " A" and resid 206 and name HN )) 3.500 1.500 1.500 peak 685 spectrum 1 weight 0.10000E+01 volume 0.42729E-02 ppm1 1.755 ppm2 7.483 CV 1 ASSI { 686} (( segid " A" and resid 113 and name HG2 )) (( segid " A" and resid 113 and name HN )) 3.600 1.600 1.600 peak 686 spectrum 1 weight 0.10000E+01 volume 0.38535E-02 ppm1 1.743 ppm2 7.450 CV 1 ASSI { 689} (( segid " A" and resid 206 and name HG2 )) (( segid " A" and resid 206 and name HG1 )) 1.400 0.200 0.800 peak 689 spectrum 1 weight 0.10000E+01 volume 0.51968E-01 ppm1 1.756 ppm2 2.002 CV 1 ASSI { 691} (( segid " A" and resid 206 and name HD1 )) (( segid " A" and resid 206 and name HN )) 4.200 2.200 1.800 peak 691 spectrum 1 weight 0.10000E+01 volume 0.26775E-02 ppm1 3.278 ppm2 7.485 CV 1 OR { 691} (( segid " A" and resid 206 and name HD2 )) (( segid " A" and resid 206 and name HN )) ASSI { 693} (( segid " A" and resid 206 and name HD1 )) (( segid " A" and resid 206 and name HB2 )) 2.100 0.500 0.500 peak 693 spectrum 1 weight 0.10000E+01 volume 0.35464E-01 ppm1 3.279 ppm2 1.986 CV 1 OR { 693} (( segid " A" and resid 206 and name HD1 )) (( segid " A" and resid 206 and name HB1 )) OR { 693} (( segid " A" and resid 206 and name HD2 )) (( segid " A" and resid 206 and name HB2 )) OR { 693} (( segid " A" and resid 206 and name HD2 )) (( segid " A" and resid 206 and name HB1 )) ASSI { 694} (( segid " A" and resid 206 and name HD2 )) (( segid " A" and resid 206 and name HG1 )) 1.900 0.400 0.400 peak 694 spectrum 1 weight 0.10000E+01 volume 0.31244E-01 ppm1 3.281 ppm2 2.019 CV 1 OR { 694} (( segid " A" and resid 206 and name HD1 )) (( segid " A" and resid 206 and name HG1 )) ASSI { 695} (( segid " A" and resid 206 and name HD2 )) (( segid " A" and resid 206 and name HG2 )) 2.100 0.600 0.600 peak 695 spectrum 1 weight 0.10000E+01 volume 0.22280E-01 ppm1 3.278 ppm2 1.761 CV 1 OR { 695} (( segid " A" and resid 206 and name HD1 )) (( segid " A" and resid 206 and name HG2 )) ASSI { 696} (( segid " A" and resid 205 and name HA )) (( segid " A" and resid 205 and name HN )) 2.900 1.000 1.000 peak 696 spectrum 1 weight 0.10000E+01 volume 0.47673E-02 ppm1 3.869 ppm2 8.230 CV 1 ASSI { 698} ( segid " A" and resid 205 and name HB% ) (( segid " A" and resid 205 and name HN )) 2.200 0.600 0.600 peak 698 spectrum 1 weight 0.10000E+01 volume 0.18959E-01 ppm1 1.153 ppm2 8.230 CV 1 ASSI { 699} ( segid " A" and resid 205 and name HB% ) (( segid " A" and resid 205 and name HA )) 2.200 0.600 0.600 peak 699 spectrum 1 weight 0.10000E+01 volume 0.22014E-01 ppm1 1.153 ppm2 3.889 CV 1 ASSI { 700} (( segid " A" and resid 204 and name HA )) (( segid " A" and resid 204 and name HN )) 2.600 0.800 0.800 peak 700 spectrum 1 weight 0.10000E+01 volume 0.70161E-02 ppm1 4.059 ppm2 8.482 CV 1 ASSI { 701} (( segid " A" and resid 204 and name HA )) (( segid " A" and resid 204 and name HG2 )) 2.300 0.700 0.700 peak 701 spectrum 1 weight 0.10000E+01 volume 0.10953E-01 ppm1 4.050 ppm2 2.664 CV 1 ASSI { 702} (( segid " A" and resid 204 and name HB1 )) (( segid " A" and resid 204 and name HN )) 3.900 1.900 1.900 peak 702 spectrum 1 weight 0.10000E+01 volume 0.24802E-02 ppm1 2.075 ppm2 8.484 CV 1 ASSI { 703} (( segid " A" and resid 204 and name HB2 )) (( segid " A" and resid 204 and name HN )) 2.800 1.000 1.000 peak 703 spectrum 1 weight 0.10000E+01 volume 0.22264E-02 ppm1 2.151 ppm2 8.481 CV 1 ASSI { 704} (( segid " A" and resid 204 and name HA )) (( segid " A" and resid 204 and name HG1 )) 2.300 0.600 0.600 peak 704 spectrum 1 weight 0.10000E+01 volume 0.20591E-01 ppm1 4.057 ppm2 2.295 CV 1 OR { 704} (( segid " A" and resid 203 and name HA )) (( segid " A" and resid 203 and name HG2 )) OR { 704} (( segid " A" and resid 203 and name HA )) (( segid " A" and resid 203 and name HG1 )) ASSI { 705} (( segid " A" and resid 130 and name HA )) (( segid " A" and resid 130 and name HB1 )) 2.000 0.500 0.500 peak 705 spectrum 1 weight 0.10000E+01 volume 0.36104E-01 ppm1 4.050 ppm2 2.177 CV 1 OR { 705} (( segid " A" and resid 130 and name HA )) (( segid " A" and resid 130 and name HB2 )) OR { 705} (( segid " A" and resid 171 and name HA )) (( segid " A" and resid 171 and name HB1 )) OR { 705} (( segid " A" and resid 203 and name HA )) (( segid " A" and resid 203 and name HB1 )) OR { 705} (( segid " A" and resid 204 and name HA )) (( segid " A" and resid 204 and name HB2 )) ASSI { 706} (( segid " A" and resid 204 and name HA )) (( segid " A" and resid 204 and name HB1 )) 2.200 0.600 0.600 peak 706 spectrum 1 weight 0.10000E+01 volume 0.17520E-01 ppm1 4.052 ppm2 2.059 CV 1 OR { 706} (( segid " A" and resid 171 and name HA )) (( segid " A" and resid 171 and name HB2 )) ASSI { 708} (( segid " A" and resid 204 and name HB2 )) (( segid " A" and resid 204 and name HG2 )) 3.200 1.200 1.200 peak 708 spectrum 1 weight 0.10000E+01 volume 0.45867E-02 ppm1 2.165 ppm2 2.664 CV 1 ASSI { 709} (( segid " A" and resid 204 and name HG1 )) (( segid " A" and resid 204 and name HN )) 2.500 0.800 0.800 peak 709 spectrum 1 weight 0.10000E+01 volume 0.44802E-02 ppm1 2.309 ppm2 8.485 CV 1 ASSI { 710} (( segid " A" and resid 204 and name HG2 )) (( segid " A" and resid 204 and name HN )) 3.500 1.600 1.600 peak 710 spectrum 1 weight 0.10000E+01 volume 0.41656E-02 ppm1 2.669 ppm2 8.485 CV 1 ASSI { 711} (( segid " A" and resid 203 and name HG1 )) (( segid " A" and resid 203 and name HA )) 2.700 0.900 0.900 peak 711 spectrum 1 weight 0.10000E+01 volume 0.97627E-02 ppm1 2.319 ppm2 4.071 CV 1 ASSI { 712} (( segid " A" and resid 203 and name HG2 )) (( segid " A" and resid 203 and name HA )) 2.300 0.600 0.600 peak 712 spectrum 1 weight 0.10000E+01 volume 0.10096E-01 ppm1 2.303 ppm2 4.068 CV 1 ASSI { 713} (( segid " A" and resid 171 and name HG2 )) (( segid " A" and resid 171 and name HA )) 2.500 0.800 0.800 peak 713 spectrum 1 weight 0.10000E+01 volume 0.10245E-01 ppm1 2.664 ppm2 4.043 CV 1 ASSI { 715} (( segid " A" and resid 204 and name HG2 )) (( segid " A" and resid 204 and name HG1 )) 1.600 0.300 0.600 peak 715 spectrum 1 weight 0.10000E+01 volume 0.26633E-01 ppm1 2.665 ppm2 2.277 CV 1 ASSI { 716} (( segid " A" and resid 204 and name HG2 )) (( segid " A" and resid 204 and name HB1 )) 2.300 0.700 0.700 peak 716 spectrum 1 weight 0.10000E+01 volume 0.97460E-02 ppm1 2.665 ppm2 2.072 CV 1 ASSI { 717} (( segid " A" and resid 203 and name HA )) (( segid " A" and resid 203 and name HN )) 2.400 0.700 0.700 peak 717 spectrum 1 weight 0.10000E+01 volume 0.87723E-02 ppm1 4.070 ppm2 7.809 CV 1 ASSI { 718} (( segid " A" and resid 203 and name HB2 )) (( segid " A" and resid 203 and name HN )) 2.300 0.600 0.600 peak 718 spectrum 1 weight 0.10000E+01 volume 0.16379E-01 ppm1 2.186 ppm2 7.799 CV 1 OR { 718} (( segid " A" and resid 203 and name HB1 )) (( segid " A" and resid 203 and name HN )) ASSI { 719} (( segid " A" and resid 203 and name HB1 )) (( segid " A" and resid 203 and name HA )) 2.000 0.500 0.500 peak 719 spectrum 1 weight 0.10000E+01 volume 0.31202E-01 ppm1 2.180 ppm2 4.051 CV 1 OR { 719} (( segid " A" and resid 203 and name HB2 )) (( segid " A" and resid 203 and name HA )) ASSI { 720} (( segid " A" and resid 203 and name HG1 )) (( segid " A" and resid 203 and name HN )) 2.600 0.800 0.800 peak 720 spectrum 1 weight 0.10000E+01 volume 0.44669E-02 ppm1 2.323 ppm2 7.806 CV 1 ASSI { 721} (( segid " A" and resid 203 and name HG2 )) (( segid " A" and resid 203 and name HN )) 3.600 1.600 1.600 peak 721 spectrum 1 weight 0.10000E+01 volume 0.48006E-02 ppm1 2.300 ppm2 7.805 CV 1 ASSI { 722} (( segid " A" and resid 202 and name HA )) (( segid " A" and resid 202 and name HN )) 2.800 1.000 1.000 peak 722 spectrum 1 weight 0.10000E+01 volume 0.57977E-02 ppm1 3.939 ppm2 8.007 CV 1 ASSI { 723} (( segid " A" and resid 202 and name HA )) ( segid " A" and resid 202 and name HB% ) 2.200 0.600 0.600 peak 723 spectrum 1 weight 0.10000E+01 volume 0.23720E-01 ppm1 3.939 ppm2 1.558 CV 1 ASSI { 724} ( segid " A" and resid 202 and name HB% ) (( segid " A" and resid 202 and name HN )) 2.200 0.600 0.600 peak 724 spectrum 1 weight 0.10000E+01 volume 0.19925E-01 ppm1 1.570 ppm2 8.005 CV 1 ASSI { 725} ( segid " A" and resid 133 and name HB% ) ( segid " A" and resid 132 and name HD% ) 4.200 2.200 1.800 peak 725 spectrum 1 weight 0.10000E+01 volume 0.11744E-02 ppm1 1.615 ppm2 7.958 CV 1 ASSI { 727} (( segid " A" and resid 201 and name HA )) (( segid " A" and resid 201 and name HN )) 2.600 0.800 0.800 peak 727 spectrum 1 weight 0.10000E+01 volume 0.36637E-02 ppm1 3.977 ppm2 8.638 CV 1 ASSI { 728} ( segid " A" and resid 201 and name HD1%) (( segid " A" and resid 201 and name HN )) 3.700 1.700 1.700 peak 728 spectrum 1 weight 0.10000E+01 volume 0.42463E-02 ppm1 0.799 ppm2 8.639 CV 1 ASSI { 729} ( segid " A" and resid 201 and name HD2%) (( segid " A" and resid 201 and name HN )) 3.500 1.500 1.500 peak 729 spectrum 1 weight 0.10000E+01 volume 0.42255E-02 ppm1 0.810 ppm2 8.632 CV 1 ASSI { 730} (( segid " A" and resid 200 and name HA )) (( segid " A" and resid 200 and name HN )) 2.700 0.900 0.900 peak 730 spectrum 1 weight 0.10000E+01 volume 0.64111E-02 ppm1 4.138 ppm2 7.651 CV 1 ASSI { 732} (( segid " A" and resid 200 and name HA )) (( segid " A" and resid 200 and name HG2 )) 3.200 1.200 1.200 peak 732 spectrum 1 weight 0.10000E+01 volume 0.59001E-02 ppm1 4.142 ppm2 2.338 CV 1 ASSI { 733} (( segid " A" and resid 200 and name HA )) (( segid " A" and resid 200 and name HB2 )) 2.200 0.600 0.600 peak 733 spectrum 1 weight 0.10000E+01 volume 0.17678E-01 ppm1 4.135 ppm2 2.204 CV 1 ASSI { 734} (( segid " A" and resid 200 and name HA )) (( segid " A" and resid 200 and name HB1 )) 2.600 0.900 0.900 peak 734 spectrum 1 weight 0.10000E+01 volume 0.13674E-01 ppm1 4.140 ppm2 2.244 CV 1 ASSI { 735} (( segid " A" and resid 200 and name HB1 )) (( segid " A" and resid 200 and name HN )) 2.500 0.800 0.800 peak 735 spectrum 1 weight 0.10000E+01 volume 0.71010E-02 ppm1 2.267 ppm2 7.652 CV 1 ASSI { 736} (( segid " A" and resid 200 and name HB2 )) (( segid " A" and resid 200 and name HN )) 2.500 0.800 0.800 peak 736 spectrum 1 weight 0.10000E+01 volume 0.76878E-02 ppm1 2.196 ppm2 7.654 CV 1 ASSI { 738} (( segid " A" and resid 200 and name HG2 )) (( segid " A" and resid 201 and name HN )) 3.800 1.800 1.800 peak 738 spectrum 1 weight 0.10000E+01 volume 0.24802E-02 ppm1 2.360 ppm2 8.642 CV 1 ASSI { 739} (( segid " A" and resid 200 and name HG1 )) (( segid " A" and resid 201 and name HN )) 4.000 2.000 2.000 peak 739 spectrum 1 weight 0.10000E+01 volume 0.16879E-02 ppm1 2.559 ppm2 8.649 CV 1 ASSI { 740} (( segid " A" and resid 200 and name HG2 )) (( segid " A" and resid 200 and name HN )) 3.800 1.800 1.800 peak 740 spectrum 1 weight 0.10000E+01 volume 0.54032E-02 ppm1 2.359 ppm2 7.654 CV 1 ASSI { 741} (( segid " A" and resid 200 and name HG1 )) (( segid " A" and resid 200 and name HN )) 3.800 1.800 1.800 peak 741 spectrum 1 weight 0.10000E+01 volume 0.48680E-02 ppm1 2.557 ppm2 7.652 CV 1 ASSI { 742} (( segid " A" and resid 200 and name HG1 )) (( segid " A" and resid 200 and name HE21)) 4.000 2.000 2.000 peak 742 spectrum 1 weight 0.10000E+01 volume 0.59508E-03 ppm1 2.557 ppm2 6.686 CV 1 ASSI { 744} (( segid " A" and resid 200 and name HG1 )) (( segid " A" and resid 200 and name HA )) 2.800 1.000 1.000 peak 744 spectrum 1 weight 0.10000E+01 volume 0.59383E-02 ppm1 2.557 ppm2 4.133 CV 1 ASSI { 745} (( segid " A" and resid 200 and name HG2 )) (( segid " A" and resid 200 and name HG1 )) 1.500 0.300 0.700 peak 745 spectrum 1 weight 0.10000E+01 volume 0.69221E-01 ppm1 2.357 ppm2 2.555 CV 1 ASSI { 747} (( segid " A" and resid 199 and name HA )) (( segid " A" and resid 199 and name HN )) 3.200 1.300 1.300 peak 747 spectrum 1 weight 0.10000E+01 volume 0.25701E-02 ppm1 4.404 ppm2 8.650 CV 1 ASSI { 748} (( segid " A" and resid 199 and name HA )) (( segid " A" and resid 199 and name HB1 )) 3.000 1.100 1.100 peak 748 spectrum 1 weight 0.10000E+01 volume 0.86890E-02 ppm1 4.402 ppm2 2.655 CV 1 ASSI { 750} (( segid " A" and resid 199 and name HB2 )) (( segid " A" and resid 199 and name HN )) 2.900 1.100 1.100 peak 750 spectrum 1 weight 0.10000E+01 volume 0.42663E-02 ppm1 2.697 ppm2 8.652 CV 1 ASSI { 751} (( segid " A" and resid 199 and name HB2 )) (( segid " A" and resid 199 and name HA )) 2.400 0.700 0.700 peak 751 spectrum 1 weight 0.10000E+01 volume 0.11935E-01 ppm1 2.702 ppm2 4.377 CV 1 ASSI { 752} (( segid " A" and resid 198 and name HA )) (( segid " A" and resid 198 and name HB )) 3.100 1.200 1.200 peak 752 spectrum 1 weight 0.10000E+01 volume 0.32243E-02 ppm1 3.555 ppm2 1.986 CV 1 ASSI { 753} (( segid " A" and resid 198 and name HA )) (( segid " A" and resid 198 and name HG12)) 2.800 1.000 1.000 peak 753 spectrum 1 weight 0.10000E+01 volume 0.32476E-02 ppm1 3.555 ppm2 1.631 CV 1 ASSI { 754} (( segid " A" and resid 198 and name HA )) (( segid " A" and resid 198 and name HG11)) 3.300 1.300 1.300 peak 754 spectrum 1 weight 0.10000E+01 volume 0.34748E-02 ppm1 3.555 ppm2 1.215 CV 1 ASSI { 756} (( segid " A" and resid 198 and name HA )) ( segid " A" and resid 201 and name HD1%) 2.800 1.000 1.000 peak 756 spectrum 1 weight 0.10000E+01 volume 0.54498E-02 ppm1 3.555 ppm2 0.794 CV 1 OR { 756} (( segid " A" and resid 198 and name HA )) ( segid " A" and resid 201 and name HD2%) ASSI { 757} (( segid " A" and resid 198 and name HB )) (( segid " A" and resid 198 and name HN )) 2.600 0.800 0.800 peak 757 spectrum 1 weight 0.10000E+01 volume 0.57769E-02 ppm1 1.998 ppm2 7.969 CV 1 ASSI { 759} (( segid " A" and resid 198 and name HB )) (( segid " A" and resid 198 and name HG12)) 3.100 1.200 1.200 peak 759 spectrum 1 weight 0.10000E+01 volume 0.36454E-02 ppm1 1.997 ppm2 1.638 CV 1 ASSI { 760} (( segid " A" and resid 198 and name HB )) (( segid " A" and resid 198 and name HG11)) 2.800 0.900 0.900 peak 760 spectrum 1 weight 0.10000E+01 volume 0.28348E-02 ppm1 1.995 ppm2 1.222 CV 1 ASSI { 763} (( segid " A" and resid 198 and name HG11)) (( segid " A" and resid 198 and name HN )) 2.600 0.800 0.800 peak 763 spectrum 1 weight 0.10000E+01 volume 0.25335E-02 ppm1 1.220 ppm2 7.973 CV 1 ASSI { 764} (( segid " A" and resid 198 and name HG12)) (( segid " A" and resid 198 and name HN )) 3.600 1.600 1.600 peak 764 spectrum 1 weight 0.10000E+01 volume 0.28647E-02 ppm1 1.635 ppm2 7.967 CV 1 ASSI { 767} (( segid " A" and resid 198 and name HG11)) (( segid " A" and resid 198 and name HG12)) 2.000 0.500 0.500 peak 767 spectrum 1 weight 0.10000E+01 volume 0.57569E-02 ppm1 1.220 ppm2 1.632 CV 1 ASSI { 770} (( segid " A" and resid 198 and name HG12)) ( segid " A" and resid 198 and name HD1%) 2.600 0.900 0.900 peak 770 spectrum 1 weight 0.10000E+01 volume 0.54298E-02 ppm1 1.633 ppm2 0.733 CV 1 ASSI { 772} ( segid " A" and resid 198 and name HG2%) (( segid " A" and resid 198 and name HN )) 3.800 1.900 1.900 peak 772 spectrum 1 weight 0.10000E+01 volume 0.45534E-02 ppm1 0.932 ppm2 7.964 CV 1 ASSI { 773} ( segid " A" and resid 198 and name HG2%) (( segid " A" and resid 198 and name HA )) 2.600 0.800 0.800 peak 773 spectrum 1 weight 0.10000E+01 volume 0.86391E-02 ppm1 0.932 ppm2 3.552 CV 1 ASSI { 774} ( segid " A" and resid 198 and name HG2%) (( segid " A" and resid 198 and name HB )) 2.200 0.600 0.600 peak 774 spectrum 1 weight 0.10000E+01 volume 0.15580E-01 ppm1 0.932 ppm2 1.986 CV 1 ASSI { 775} ( segid " A" and resid 198 and name HG2%) (( segid " A" and resid 198 and name HG12)) 2.800 0.900 0.900 peak 775 spectrum 1 weight 0.10000E+01 volume 0.58817E-02 ppm1 0.931 ppm2 1.614 CV 1 ASSI { 776} ( segid " A" and resid 198 and name HG2%) (( segid " A" and resid 198 and name HG11)) 3.300 1.400 1.400 peak 776 spectrum 1 weight 0.10000E+01 volume 0.71585E-02 ppm1 0.932 ppm2 1.218 CV 1 ASSI { 777} ( segid " A" and resid 198 and name HG2%) ( segid " A" and resid 198 and name HD1%) 2.100 0.600 0.600 peak 777 spectrum 1 weight 0.10000E+01 volume 0.23795E-01 ppm1 0.932 ppm2 0.732 CV 1 ASSI { 778} ( segid " A" and resid 198 and name HD1%) (( segid " A" and resid 198 and name HN )) 3.900 1.900 1.900 peak 778 spectrum 1 weight 0.10000E+01 volume 0.43662E-02 ppm1 0.731 ppm2 7.969 CV 1 ASSI { 779} ( segid " A" and resid 198 and name HD1%) (( segid " A" and resid 198 and name HA )) 3.900 1.900 1.900 peak 779 spectrum 1 weight 0.10000E+01 volume 0.44128E-02 ppm1 0.728 ppm2 3.552 CV 1 ASSI { 780} ( segid " A" and resid 198 and name HD1%) (( segid " A" and resid 198 and name HB )) 2.500 0.800 0.800 peak 780 spectrum 1 weight 0.10000E+01 volume 0.13350E-01 ppm1 0.732 ppm2 1.982 CV 1 ASSI { 781} ( segid " A" and resid 198 and name HD1%) (( segid " A" and resid 198 and name HG12)) 2.200 0.600 0.600 peak 781 spectrum 1 weight 0.10000E+01 volume 0.19126E-01 ppm1 0.738 ppm2 1.647 CV 1 OR { 781} ( segid " A" and resid 141 and name HD1%) (( segid " A" and resid 141 and name HB )) ASSI { 782} ( segid " A" and resid 198 and name HD1%) (( segid " A" and resid 198 and name HG11)) 2.300 0.600 0.600 peak 782 spectrum 1 weight 0.10000E+01 volume 0.12617E-01 ppm1 0.729 ppm2 1.226 CV 1 ASSI { 783} ( segid " A" and resid 111 and name HE% ) (( segid " A" and resid 111 and name HN )) 4.500 2.500 1.500 peak 783 spectrum 1 weight 0.10000E+01 volume 0.25801E-02 ppm1 1.970 ppm2 8.200 CV 1 ASSI { 784} (( segid " A" and resid 201 and name HA )) ( segid " A" and resid 201 and name HD2%) 2.400 0.700 0.700 peak 784 spectrum 1 weight 0.10000E+01 volume 0.13808E-01 ppm1 3.982 ppm2 0.817 CV 1 OR { 784} (( segid " A" and resid 108 and name HA )) ( segid " A" and resid 108 and name HD1%) OR { 784} (( segid " A" and resid 108 and name HA )) ( segid " A" and resid 201 and name HD1%) ASSI { 785} (( segid " A" and resid 201 and name HB1 )) (( segid " A" and resid 201 and name HN )) 3.900 1.900 1.900 peak 785 spectrum 1 weight 0.10000E+01 volume 0.19617E-02 ppm1 1.425 ppm2 8.636 CV 1 ASSI { 786} (( segid " A" and resid 201 and name HB2 )) (( segid " A" and resid 201 and name HN )) 2.900 1.000 1.000 peak 786 spectrum 1 weight 0.10000E+01 volume 0.26841E-02 ppm1 2.142 ppm2 8.638 CV 1 ASSI { 787} (( segid " A" and resid 201 and name HB2 )) (( segid " A" and resid 201 and name HA )) 3.200 1.300 1.300 peak 787 spectrum 1 weight 0.10000E+01 volume 0.23329E-02 ppm1 2.141 ppm2 3.969 CV 1 ASSI { 788} (( segid " A" and resid 201 and name HB1 )) (( segid " A" and resid 201 and name HA )) 2.500 0.800 0.800 peak 788 spectrum 1 weight 0.10000E+01 volume 0.32010E-02 ppm1 1.430 ppm2 3.970 CV 1 ASSI { 789} (( segid " A" and resid 201 and name HB1 )) (( segid " A" and resid 201 and name HB2 )) 2.100 0.500 0.500 peak 789 spectrum 1 weight 0.10000E+01 volume 0.51618E-02 ppm1 1.422 ppm2 2.143 CV 1 ASSI { 791} (( segid " A" and resid 201 and name HB2 )) (( segid " A" and resid 201 and name HG )) 3.000 1.100 1.100 peak 791 spectrum 1 weight 0.10000E+01 volume 0.19617E-02 ppm1 2.145 ppm2 1.854 CV 1 ASSI { 793} (( segid " A" and resid 201 and name HG )) (( segid " A" and resid 201 and name HN )) 2.400 0.700 0.700 peak 793 spectrum 1 weight 0.10000E+01 volume 0.46475E-02 ppm1 1.860 ppm2 8.639 CV 1 ASSI { 794} (( segid " A" and resid 201 and name HG )) (( segid " A" and resid 201 and name HB1 )) 3.200 1.300 1.300 peak 794 spectrum 1 weight 0.10000E+01 volume 0.27474E-02 ppm1 1.856 ppm2 1.420 CV 1 ASSI { 795} (( segid " A" and resid 201 and name HG )) ( segid " A" and resid 201 and name HD1%) 2.000 0.500 0.500 peak 795 spectrum 1 weight 0.10000E+01 volume 0.19309E-01 ppm1 1.864 ppm2 0.807 CV 1 ASSI { 796} ( segid " A" and resid 201 and name HD1%) (( segid " A" and resid 201 and name HA )) 3.600 1.600 1.600 peak 796 spectrum 1 weight 0.10000E+01 volume 0.55297E-02 ppm1 0.797 ppm2 3.974 CV 1 ASSI { 797} ( segid " A" and resid 201 and name HD1%) (( segid " A" and resid 201 and name HB2 )) 2.400 0.700 0.700 peak 797 spectrum 1 weight 0.10000E+01 volume 0.88638E-02 ppm1 0.797 ppm2 2.144 CV 1 ASSI { 799} ( segid " A" and resid 201 and name HD2%) (( segid " A" and resid 201 and name HA )) 2.100 0.500 0.500 peak 799 spectrum 1 weight 0.10000E+01 volume 0.18643E-01 ppm1 0.810 ppm2 3.963 CV 1 ASSI { 800} ( segid " A" and resid 201 and name HD2%) (( segid " A" and resid 201 and name HB2 )) 3.100 1.200 1.200 peak 800 spectrum 1 weight 0.10000E+01 volume 0.12143E-01 ppm1 0.810 ppm2 2.138 CV 1 ASSI { 801} ( segid " A" and resid 201 and name HD2%) (( segid " A" and resid 201 and name HG )) 2.100 0.500 0.500 peak 801 spectrum 1 weight 0.10000E+01 volume 0.20433E-01 ppm1 0.810 ppm2 1.854 CV 1 ASSI { 802} (( segid " A" and resid 197 and name HA )) (( segid " A" and resid 197 and name HN )) 2.900 1.100 1.100 peak 802 spectrum 1 weight 0.10000E+01 volume 0.32809E-02 ppm1 3.890 ppm2 7.152 CV 1 ASSI { 804} (( segid " A" and resid 197 and name HA )) (( segid " A" and resid 197 and name HG12)) 2.700 0.900 0.900 peak 804 spectrum 1 weight 0.10000E+01 volume 0.42863E-02 ppm1 3.887 ppm2 1.474 CV 1 ASSI { 807} (( segid " A" and resid 197 and name HA )) ( segid " A" and resid 197 and name HD1%) 3.700 1.700 1.700 peak 807 spectrum 1 weight 0.10000E+01 volume 0.64485E-02 ppm1 3.887 ppm2 0.802 CV 1 ASSI { 808} (( segid " A" and resid 197 and name HB )) (( segid " A" and resid 197 and name HN )) 2.400 0.700 0.700 peak 808 spectrum 1 weight 0.10000E+01 volume 0.69687E-02 ppm1 1.996 ppm2 7.152 CV 1 ASSI { 809} (( segid " A" and resid 197 and name HB )) (( segid " A" and resid 197 and name HA )) 2.700 0.900 0.900 peak 809 spectrum 1 weight 0.10000E+01 volume 0.57170E-02 ppm1 1.997 ppm2 3.881 CV 1 ASSI { 810} (( segid " A" and resid 197 and name HB )) (( segid " A" and resid 197 and name HG12)) 2.500 0.800 0.800 peak 810 spectrum 1 weight 0.10000E+01 volume 0.13708E-01 ppm1 1.996 ppm2 1.472 CV 1 ASSI { 811} (( segid " A" and resid 197 and name HB )) (( segid " A" and resid 197 and name HG11)) 2.400 0.700 0.700 peak 811 spectrum 1 weight 0.10000E+01 volume 0.60798E-02 ppm1 1.998 ppm2 1.327 CV 1 ASSI { 812} (( segid " A" and resid 197 and name HB )) ( segid " A" and resid 197 and name HD1%) 2.700 0.900 0.900 peak 812 spectrum 1 weight 0.10000E+01 volume 0.73849E-02 ppm1 1.997 ppm2 0.778 CV 1 ASSI { 813} (( segid " A" and resid 197 and name HG11)) (( segid " A" and resid 197 and name HN )) 2.400 0.700 0.700 peak 813 spectrum 1 weight 0.10000E+01 volume 0.42729E-02 ppm1 1.326 ppm2 7.153 CV 1 ASSI { 814} (( segid " A" and resid 197 and name HG12)) (( segid " A" and resid 197 and name HN )) 3.500 1.500 1.500 peak 814 spectrum 1 weight 0.10000E+01 volume 0.42663E-02 ppm1 1.472 ppm2 7.152 CV 1 ASSI { 815} (( segid " A" and resid 197 and name HG11)) (( segid " A" and resid 197 and name HA )) 3.100 1.200 1.200 peak 815 spectrum 1 weight 0.10000E+01 volume 0.41789E-02 ppm1 1.322 ppm2 3.889 CV 1 ASSI { 820} (( segid " A" and resid 197 and name HG12)) (( segid " A" and resid 197 and name HG11)) 1.600 0.300 0.600 peak 820 spectrum 1 weight 0.10000E+01 volume 0.30412E-01 ppm1 1.472 ppm2 1.324 CV 1 ASSI { 821} (( segid " A" and resid 197 and name HG11)) ( segid " A" and resid 197 and name HD1%) 2.300 0.700 0.700 peak 821 spectrum 1 weight 0.10000E+01 volume 0.11461E-01 ppm1 1.326 ppm2 0.800 CV 1 ASSI { 824} (( segid " A" and resid 197 and name HG12)) ( segid " A" and resid 197 and name HD1%) 2.200 0.600 0.600 peak 824 spectrum 1 weight 0.10000E+01 volume 0.18801E-01 ppm1 1.474 ppm2 0.797 CV 1 ASSI { 825} ( segid " A" and resid 197 and name HG2%) (( segid " A" and resid 197 and name HN )) 3.900 1.900 1.900 peak 825 spectrum 1 weight 0.10000E+01 volume 0.36454E-02 ppm1 0.882 ppm2 7.151 CV 1 ASSI { 826} ( segid " A" and resid 197 and name HG2%) (( segid " A" and resid 197 and name HA )) 2.400 0.700 0.700 peak 826 spectrum 1 weight 0.10000E+01 volume 0.12842E-01 ppm1 0.882 ppm2 3.894 CV 1 ASSI { 827} ( segid " A" and resid 197 and name HG2%) (( segid " A" and resid 197 and name HB )) 2.100 0.500 0.500 peak 827 spectrum 1 weight 0.10000E+01 volume 0.19975E-01 ppm1 0.882 ppm2 1.992 CV 1 ASSI { 828} ( segid " A" and resid 197 and name HG2%) (( segid " A" and resid 197 and name HG12)) 2.000 0.500 0.500 peak 828 spectrum 1 weight 0.10000E+01 volume 0.33216E-01 ppm1 0.882 ppm2 1.478 CV 1 ASSI { 829} ( segid " A" and resid 197 and name HG2%) (( segid " A" and resid 197 and name HG11)) 3.100 1.200 1.200 peak 829 spectrum 1 weight 0.10000E+01 volume 0.98043E-02 ppm1 0.882 ppm2 1.324 CV 1 ASSI { 830} ( segid " A" and resid 197 and name HD1%) (( segid " A" and resid 197 and name HN )) 4.100 2.100 1.900 peak 830 spectrum 1 weight 0.10000E+01 volume 0.28914E-02 ppm1 0.794 ppm2 7.157 CV 1 ASSI { 831} ( segid " A" and resid 197 and name HD1%) (( segid " A" and resid 197 and name HA )) 3.600 1.700 1.700 peak 831 spectrum 1 weight 0.10000E+01 volume 0.69313E-02 ppm1 0.794 ppm2 3.889 CV 1 ASSI { 835} (( segid " A" and resid 108 and name HA )) (( segid " A" and resid 108 and name HN )) 2.600 0.900 0.900 peak 835 spectrum 1 weight 0.10000E+01 volume 0.50952E-02 ppm1 4.010 ppm2 8.171 CV 1 ASSI { 836} (( segid " A" and resid 168 and name HA )) (( segid " A" and resid 168 and name HB2 )) 2.300 0.600 0.600 peak 836 spectrum 1 weight 0.10000E+01 volume 0.78484E-02 ppm1 4.023 ppm2 1.862 CV 1 ASSI { 837} (( segid " A" and resid 108 and name HA )) (( segid " A" and resid 108 and name HB1 )) 2.400 0.700 0.700 peak 837 spectrum 1 weight 0.10000E+01 volume 0.66474E-02 ppm1 4.009 ppm2 1.823 CV 1 ASSI { 838} (( segid " A" and resid 108 and name HA )) (( segid " A" and resid 108 and name HG )) 3.000 1.100 1.100 peak 838 spectrum 1 weight 0.10000E+01 volume 0.43129E-02 ppm1 4.010 ppm2 1.730 CV 1 ASSI { 839} (( segid " A" and resid 108 and name HA )) (( segid " A" and resid 108 and name HB2 )) 2.700 0.900 0.900 peak 839 spectrum 1 weight 0.10000E+01 volume 0.81797E-02 ppm1 4.010 ppm2 1.482 CV 1 ASSI { 841} (( segid " A" and resid 108 and name HB2 )) (( segid " A" and resid 108 and name HN )) 2.700 0.900 0.900 peak 841 spectrum 1 weight 0.10000E+01 volume 0.37444E-02 ppm1 1.483 ppm2 8.162 CV 1 ASSI { 842} (( segid " A" and resid 108 and name HB1 )) (( segid " A" and resid 108 and name HN )) 3.500 1.600 1.600 peak 842 spectrum 1 weight 0.10000E+01 volume 0.48281E-02 ppm1 1.810 ppm2 8.159 CV 1 ASSI { 845} (( segid " A" and resid 108 and name HB2 )) (( segid " A" and resid 108 and name HB1 )) 1.700 0.400 0.500 peak 845 spectrum 1 weight 0.10000E+01 volume 0.17736E-01 ppm1 1.483 ppm2 1.809 CV 1 ASSI { 847} (( segid " A" and resid 108 and name HB2 )) (( segid " A" and resid 108 and name HG )) 2.400 0.700 0.700 peak 847 spectrum 1 weight 0.10000E+01 volume 0.78859E-02 ppm1 1.488 ppm2 1.730 CV 1 ASSI { 848} (( segid " A" and resid 108 and name HB1 )) (( segid " A" and resid 108 and name HG )) 2.500 0.800 0.800 peak 848 spectrum 1 weight 0.10000E+01 volume 0.18185E-01 ppm1 1.803 ppm2 1.730 CV 1 ASSI { 851} (( segid " A" and resid 108 and name HB1 )) ( segid " A" and resid 108 and name HD1%) 2.400 0.700 0.700 peak 851 spectrum 1 weight 0.10000E+01 volume 0.13525E-01 ppm1 1.802 ppm2 0.826 CV 1 ASSI { 852} (( segid " A" and resid 108 and name HB1 )) ( segid " A" and resid 108 and name HD2%) 2.400 0.700 0.700 peak 852 spectrum 1 weight 0.10000E+01 volume 0.10845E-01 ppm1 1.797 ppm2 0.857 CV 1 ASSI { 853} (( segid " A" and resid 108 and name HG )) (( segid " A" and resid 108 and name HN )) 2.400 0.700 0.700 peak 853 spectrum 1 weight 0.10000E+01 volume 0.60515E-02 ppm1 1.713 ppm2 8.160 CV 1 ASSI { 857} (( segid " A" and resid 108 and name HG )) ( segid " A" and resid 108 and name HD2%) 2.100 0.500 0.500 peak 857 spectrum 1 weight 0.10000E+01 volume 0.18535E-01 ppm1 1.714 ppm2 0.871 CV 1 ASSI { 858} ( segid " A" and resid 108 and name HD1%) (( segid " A" and resid 108 and name HN )) 4.000 2.000 2.000 peak 858 spectrum 1 weight 0.10000E+01 volume 0.36970E-02 ppm1 0.840 ppm2 8.159 CV 1 ASSI { 860} ( segid " A" and resid 108 and name HD1%) (( segid " A" and resid 108 and name HG )) 2.200 0.600 0.600 peak 860 spectrum 1 weight 0.10000E+01 volume 0.16205E-01 ppm1 0.838 ppm2 1.713 CV 1 ASSI { 861} ( segid " A" and resid 108 and name HD1%) (( segid " A" and resid 108 and name HB2 )) 2.400 0.700 0.700 peak 861 spectrum 1 weight 0.10000E+01 volume 0.16263E-01 ppm1 0.840 ppm2 1.475 CV 1 ASSI { 862} ( segid " A" and resid 108 and name HD2%) (( segid " A" and resid 108 and name HN )) 3.500 1.600 1.600 peak 862 spectrum 1 weight 0.10000E+01 volume 0.37394E-02 ppm1 0.873 ppm2 8.167 CV 1 OR { 862} ( segid " A" and resid 108 and name HD2%) (( segid " A" and resid 111 and name HN )) ASSI { 863} ( segid " A" and resid 108 and name HD2%) (( segid " A" and resid 108 and name HA )) 1.900 0.500 0.500 peak 863 spectrum 1 weight 0.10000E+01 volume 0.20166E-01 ppm1 0.875 ppm2 4.005 CV 1 ASSI { 864} ( segid " A" and resid 108 and name HD2%) (( segid " A" and resid 201 and name HG )) 3.300 1.300 1.300 peak 864 spectrum 1 weight 0.10000E+01 volume 0.11918E-01 ppm1 0.875 ppm2 1.842 CV 1 ASSI { 866} ( segid " A" and resid 108 and name HD2%) (( segid " A" and resid 108 and name HB2 )) 2.900 1.000 1.000 peak 866 spectrum 1 weight 0.10000E+01 volume 0.15963E-01 ppm1 0.876 ppm2 1.491 CV 1 ASSI { 867} (( segid " A" and resid 109 and name HA )) (( segid " A" and resid 109 and name HN )) 3.000 1.100 1.100 peak 867 spectrum 1 weight 0.10000E+01 volume 0.43262E-02 ppm1 4.113 ppm2 7.417 CV 1 ASSI { 869} ( segid " A" and resid 109 and name HB% ) (( segid " A" and resid 109 and name HN )) 2.400 0.700 0.700 peak 869 spectrum 1 weight 0.10000E+01 volume 0.14049E-01 ppm1 1.446 ppm2 7.419 CV 1 ASSI { 870} ( segid " A" and resid 109 and name HB% ) (( segid " A" and resid 109 and name HA )) 2.100 0.600 0.600 peak 870 spectrum 1 weight 0.10000E+01 volume 0.31394E-01 ppm1 1.447 ppm2 4.103 CV 1 ASSI { 871} (( segid " A" and resid 110 and name HA )) (( segid " A" and resid 110 and name HN )) 3.100 1.200 1.200 peak 871 spectrum 1 weight 0.10000E+01 volume 0.30162E-02 ppm1 3.680 ppm2 7.585 CV 1 ASSI { 872} (( segid " A" and resid 110 and name HA )) (( segid " A" and resid 110 and name HB )) 3.100 1.200 1.200 peak 872 spectrum 1 weight 0.10000E+01 volume 0.38859E-02 ppm1 3.680 ppm2 1.878 CV 1 ASSI { 873} (( segid " A" and resid 110 and name HA )) (( segid " A" and resid 110 and name HG11)) 3.100 1.200 1.200 peak 873 spectrum 1 weight 0.10000E+01 volume 0.51552E-02 ppm1 3.682 ppm2 1.718 CV 1 ASSI { 877} (( segid " A" and resid 110 and name HB )) (( segid " A" and resid 110 and name HN )) 2.400 0.700 0.700 peak 877 spectrum 1 weight 0.10000E+01 volume 0.79525E-02 ppm1 1.881 ppm2 7.588 CV 1 ASSI { 879} (( segid " A" and resid 110 and name HB )) (( segid " A" and resid 110 and name HG11)) 2.400 0.700 0.700 peak 879 spectrum 1 weight 0.10000E+01 volume 0.73191E-02 ppm1 1.882 ppm2 1.720 CV 1 ASSI { 880} (( segid " A" and resid 110 and name HB )) (( segid " A" and resid 110 and name HG12)) 3.200 1.300 1.300 peak 880 spectrum 1 weight 0.10000E+01 volume 0.40607E-02 ppm1 1.881 ppm2 1.036 CV 1 ASSI { 881} (( segid " A" and resid 110 and name HB )) ( segid " A" and resid 110 and name HG2%) 2.200 0.600 0.600 peak 881 spectrum 1 weight 0.10000E+01 volume 0.19417E-01 ppm1 1.883 ppm2 0.853 CV 1 ASSI { 882} (( segid " A" and resid 110 and name HB )) ( segid " A" and resid 110 and name HD1%) 2.600 0.800 0.800 peak 882 spectrum 1 weight 0.10000E+01 volume 0.10404E-01 ppm1 1.882 ppm2 0.737 CV 1 ASSI { 883} (( segid " A" and resid 110 and name HG12)) (( segid " A" and resid 110 and name HN )) 3.800 1.800 1.800 peak 883 spectrum 1 weight 0.10000E+01 volume 0.32576E-02 ppm1 1.042 ppm2 7.586 CV 1 ASSI { 884} (( segid " A" and resid 110 and name HG11)) (( segid " A" and resid 110 and name HN )) 2.400 0.700 0.700 peak 884 spectrum 1 weight 0.10000E+01 volume 0.54431E-02 ppm1 1.713 ppm2 7.589 CV 1 ASSI { 885} (( segid " A" and resid 110 and name HG12)) (( segid " A" and resid 110 and name HA )) 2.700 0.900 0.900 peak 885 spectrum 1 weight 0.10000E+01 volume 0.45934E-02 ppm1 1.042 ppm2 3.675 CV 1 ASSI { 889} (( segid " A" and resid 110 and name HG11)) (( segid " A" and resid 110 and name HG12)) 1.700 0.300 0.500 peak 889 spectrum 1 weight 0.10000E+01 volume 0.21989E-01 ppm1 1.713 ppm2 1.038 CV 1 ASSI { 892} (( segid " A" and resid 110 and name HG11)) ( segid " A" and resid 110 and name HG2%) 3.200 1.300 1.300 peak 892 spectrum 1 weight 0.10000E+01 volume 0.10695E-01 ppm1 1.717 ppm2 0.843 CV 1 ASSI { 893} (( segid " A" and resid 110 and name HG11)) ( segid " A" and resid 110 and name HD1%) 2.200 0.600 0.600 peak 893 spectrum 1 weight 0.10000E+01 volume 0.15322E-01 ppm1 1.713 ppm2 0.743 CV 1 ASSI { 894} ( segid " A" and resid 110 and name HG2%) (( segid " A" and resid 110 and name HN )) 4.000 2.000 2.000 peak 894 spectrum 1 weight 0.10000E+01 volume 0.39425E-02 ppm1 0.844 ppm2 7.589 CV 1 ASSI { 895} ( segid " A" and resid 110 and name HG2%) (( segid " A" and resid 110 and name HA )) 2.600 0.800 0.800 peak 895 spectrum 1 weight 0.10000E+01 volume 0.91468E-02 ppm1 0.844 ppm2 3.671 CV 1 ASSI { 898} ( segid " A" and resid 110 and name HG2%) (( segid " A" and resid 110 and name HG12)) 2.500 0.800 0.800 peak 898 spectrum 1 weight 0.10000E+01 volume 0.10096E-01 ppm1 0.843 ppm2 1.035 CV 1 ASSI { 899} ( segid " A" and resid 110 and name HD1%) (( segid " A" and resid 110 and name HN )) 4.100 2.100 1.900 peak 899 spectrum 1 weight 0.10000E+01 volume 0.32151E-02 ppm1 0.738 ppm2 7.588 CV 1 ASSI { 900} ( segid " A" and resid 110 and name HD1%) (( segid " A" and resid 110 and name HA )) 3.600 1.600 1.600 peak 900 spectrum 1 weight 0.10000E+01 volume 0.10046E-01 ppm1 0.744 ppm2 3.671 CV 1 ASSI { 901} ( segid " A" and resid 110 and name HD1%) (( segid " A" and resid 110 and name HB )) 2.400 0.700 0.700 peak 901 spectrum 1 weight 0.10000E+01 volume 0.18052E-01 ppm1 0.739 ppm2 1.887 CV 1 OR { 901} ( segid " A" and resid 141 and name HD1%) (( segid " A" and resid 129 and name HB1 )) ASSI { 903} (( segid " A" and resid 111 and name HA )) (( segid " A" and resid 111 and name HN )) 2.900 1.000 1.000 peak 903 spectrum 1 weight 0.10000E+01 volume 0.41523E-02 ppm1 3.906 ppm2 8.199 CV 1 ASSI { 904} ( segid " A" and resid 111 and name HE% ) (( segid " A" and resid 111 and name HA )) 3.900 1.900 1.900 peak 904 spectrum 1 weight 0.10000E+01 volume 0.36596E-02 ppm1 1.972 ppm2 3.910 CV 1 ASSI { 905} (( segid " A" and resid 112 and name HA )) (( segid " A" and resid 112 and name HN )) 3.000 1.100 1.100 peak 905 spectrum 1 weight 0.10000E+01 volume 0.23462E-02 ppm1 4.162 ppm2 7.240 CV 1 ASSI { 907} (( segid " A" and resid 112 and name HA )) (( segid " A" and resid 112 and name HB1 )) 2.700 0.900 0.900 peak 907 spectrum 1 weight 0.10000E+01 volume 0.33990E-02 ppm1 4.160 ppm2 3.600 CV 1 ASSI { 908} (( segid " A" and resid 112 and name HB1 )) (( segid " A" and resid 112 and name HB2 )) 2.200 0.600 0.600 peak 908 spectrum 1 weight 0.10000E+01 volume 0.66949E-02 ppm1 3.582 ppm2 3.074 CV 1 ASSI { 910} (( segid " A" and resid 112 and name HB2 )) (( segid " A" and resid 112 and name HA )) 3.100 1.200 1.200 peak 910 spectrum 1 weight 0.10000E+01 volume 0.36970E-02 ppm1 3.067 ppm2 4.143 CV 1 ASSI { 912} (( segid " A" and resid 113 and name HA )) (( segid " A" and resid 113 and name HN )) 3.300 1.400 1.400 peak 912 spectrum 1 weight 0.10000E+01 volume 0.16163E-02 ppm1 5.372 ppm2 7.428 CV 1 ASSI { 913} (( segid " A" and resid 114 and name HB )) (( segid " A" and resid 114 and name HN )) 3.000 1.200 1.200 peak 913 spectrum 1 weight 0.10000E+01 volume 0.30536E-02 ppm1 2.094 ppm2 9.095 CV 1 ASSI { 914} (( segid " A" and resid 114 and name HB )) (( segid " A" and resid 114 and name HA )) 2.600 0.900 0.900 peak 914 spectrum 1 weight 0.10000E+01 volume 0.50619E-02 ppm1 2.092 ppm2 4.716 CV 1 ASSI { 915} (( segid " A" and resid 114 and name HB )) ( segid " A" and resid 114 and name HG1%) 2.100 0.500 0.500 peak 915 spectrum 1 weight 0.10000E+01 volume 0.19634E-01 ppm1 2.092 ppm2 0.917 CV 1 ASSI { 916} (( segid " A" and resid 114 and name HB )) ( segid " A" and resid 114 and name HG2%) 2.100 0.600 0.600 peak 916 spectrum 1 weight 0.10000E+01 volume 0.17628E-01 ppm1 2.094 ppm2 0.927 CV 1 ASSI { 917} ( segid " A" and resid 114 and name HG1%) (( segid " A" and resid 114 and name HN )) 2.500 0.800 0.800 peak 917 spectrum 1 weight 0.10000E+01 volume 0.73948E-02 ppm1 0.899 ppm2 9.097 CV 1 ASSI { 918} ( segid " A" and resid 114 and name HG1%) (( segid " A" and resid 114 and name HA )) 3.200 1.300 1.300 peak 918 spectrum 1 weight 0.10000E+01 volume 0.48481E-02 ppm1 0.898 ppm2 4.714 CV 1 ASSI { 919} ( segid " A" and resid 176 and name HG2%) (( segid " A" and resid 176 and name HB )) 2.100 0.500 0.500 peak 919 spectrum 1 weight 0.10000E+01 volume 0.26250E-01 ppm1 0.897 ppm2 2.079 CV 1 ASSI { 921} ( segid " A" and resid 114 and name HG2%) (( segid " A" and resid 114 and name HN )) 3.700 1.700 1.700 peak 921 spectrum 1 weight 0.10000E+01 volume 0.39567E-02 ppm1 0.929 ppm2 9.094 CV 1 ASSI { 922} ( segid " A" and resid 114 and name HG2%) (( segid " A" and resid 114 and name HA )) 2.400 0.700 0.700 peak 922 spectrum 1 weight 0.10000E+01 volume 0.91052E-02 ppm1 0.928 ppm2 4.712 CV 1 ASSI { 924} (( segid " A" and resid 124 and name HA1 )) (( segid " A" and resid 124 and name HN )) 3.000 1.200 1.200 peak 924 spectrum 1 weight 0.10000E+01 volume 0.20591E-02 ppm1 3.927 ppm2 8.270 CV 1 ASSI { 925} (( segid " A" and resid 124 and name HA1 )) (( segid " A" and resid 124 and name HA2 )) 2.000 0.500 0.500 peak 925 spectrum 1 weight 0.10000E+01 volume 0.10420E-01 ppm1 3.927 ppm2 4.528 CV 1 ASSI { 926} (( segid " A" and resid 128 and name HA )) (( segid " A" and resid 128 and name HN )) 3.000 1.100 1.100 peak 926 spectrum 1 weight 0.10000E+01 volume 0.23961E-02 ppm1 3.727 ppm2 7.438 CV 1 ASSI { 930} (( segid " A" and resid 128 and name HB )) (( segid " A" and resid 128 and name HN )) 2.700 0.900 0.900 peak 930 spectrum 1 weight 0.10000E+01 volume 0.42796E-02 ppm1 2.013 ppm2 7.435 CV 1 ASSI { 931} (( segid " A" and resid 128 and name HB )) (( segid " A" and resid 128 and name HA )) 2.700 0.900 0.900 peak 931 spectrum 1 weight 0.10000E+01 volume 0.52892E-02 ppm1 2.010 ppm2 3.718 CV 1 ASSI { 933} ( segid " A" and resid 128 and name HG2%) (( segid " A" and resid 128 and name HN )) 4.100 2.100 1.900 peak 933 spectrum 1 weight 0.10000E+01 volume 0.27640E-02 ppm1 0.538 ppm2 7.431 CV 1 ASSI { 934} ( segid " A" and resid 128 and name HG2%) (( segid " A" and resid 128 and name HA )) 2.300 0.700 0.700 peak 934 spectrum 1 weight 0.10000E+01 volume 0.14906E-01 ppm1 0.543 ppm2 3.734 CV 1 ASSI { 935} ( segid " A" and resid 128 and name HG2%) (( segid " A" and resid 128 and name HB )) 2.200 0.600 0.600 peak 935 spectrum 1 weight 0.10000E+01 volume 0.12384E-01 ppm1 0.544 ppm2 1.997 CV 1 ASSI { 936} ( segid " A" and resid 128 and name HD1%) (( segid " A" and resid 128 and name HN )) 3.800 1.800 1.800 peak 936 spectrum 1 weight 0.10000E+01 volume 0.24436E-02 ppm1 0.491 ppm2 7.437 CV 1 ASSI { 937} ( segid " A" and resid 128 and name HD1%) (( segid " A" and resid 128 and name HA )) 2.300 0.600 0.600 peak 937 spectrum 1 weight 0.10000E+01 volume 0.95213E-02 ppm1 0.490 ppm2 3.723 CV 1 ASSI { 938} ( segid " A" and resid 128 and name HD1%) (( segid " A" and resid 128 and name HB )) 3.500 1.500 1.500 peak 938 spectrum 1 weight 0.10000E+01 volume 0.41656E-02 ppm1 0.489 ppm2 1.998 CV 1 ASSI { 939} (( segid " A" and resid 128 and name HG12)) (( segid " A" and resid 128 and name HN )) 2.600 0.900 0.900 peak 939 spectrum 1 weight 0.10000E+01 volume 0.31011E-02 ppm1 1.198 ppm2 7.440 CV 1 OR { 939} (( segid " A" and resid 128 and name HG11)) (( segid " A" and resid 128 and name HN )) ASSI { 940} (( segid " A" and resid 129 and name HA )) (( segid " A" and resid 129 and name HN )) 2.800 1.000 1.000 peak 940 spectrum 1 weight 0.10000E+01 volume 0.30586E-02 ppm1 3.666 ppm2 8.894 CV 1 ASSI { 941} (( segid " A" and resid 130 and name HA )) (( segid " A" and resid 130 and name HN )) 2.600 0.900 0.900 peak 941 spectrum 1 weight 0.10000E+01 volume 0.79433E-02 ppm1 4.036 ppm2 7.943 CV 1 ASSI { 942} (( segid " A" and resid 130 and name HB2 )) (( segid " A" and resid 130 and name HN )) 2.300 0.600 0.600 peak 942 spectrum 1 weight 0.10000E+01 volume 0.16279E-01 ppm1 2.176 ppm2 7.941 CV 1 OR { 942} (( segid " A" and resid 130 and name HB1 )) (( segid " A" and resid 130 and name HN )) ASSI { 943} (( segid " A" and resid 129 and name HG2 )) (( segid " A" and resid 129 and name HN )) 4.200 2.200 1.800 peak 943 spectrum 1 weight 0.10000E+01 volume 0.19267E-02 ppm1 1.532 ppm2 8.901 CV 1 OR { 943} (( segid " A" and resid 129 and name HG1 )) (( segid " A" and resid 129 and name HN )) ASSI { 944} (( segid " A" and resid 131 and name HA )) (( segid " A" and resid 131 and name HN )) 2.900 1.000 1.000 peak 944 spectrum 1 weight 0.10000E+01 volume 0.49213E-02 ppm1 4.206 ppm2 7.748 CV 1 ASSI { 946} ( segid " A" and resid 131 and name HB% ) (( segid " A" and resid 131 and name HN )) 2.200 0.600 0.600 peak 946 spectrum 1 weight 0.10000E+01 volume 0.16712E-01 ppm1 1.450 ppm2 7.746 CV 1 ASSI { 947} ( segid " A" and resid 131 and name HB% ) (( segid " A" and resid 131 and name HA )) 2.000 0.500 0.500 peak 947 spectrum 1 weight 0.10000E+01 volume 0.36371E-01 ppm1 1.453 ppm2 4.176 CV 1 ASSI { 948} ( segid " A" and resid 133 and name HB% ) (( segid " A" and resid 133 and name HN )) 2.300 0.600 0.600 peak 948 spectrum 1 weight 0.10000E+01 volume 0.14124E-01 ppm1 1.618 ppm2 8.654 CV 1 ASSI { 949} ( segid " A" and resid 133 and name HB% ) (( segid " A" and resid 133 and name HA )) 2.100 0.600 0.600 peak 949 spectrum 1 weight 0.10000E+01 volume 0.18077E-01 ppm1 1.617 ppm2 4.706 CV 1 ASSI { 950} (( segid " A" and resid 135 and name HA )) (( segid " A" and resid 135 and name HN )) 3.000 1.100 1.100 peak 950 spectrum 1 weight 0.10000E+01 volume 0.32051E-02 ppm1 3.897 ppm2 6.546 CV 1 ASSI { 951} (( segid " A" and resid 135 and name HB1 )) (( segid " A" and resid 135 and name HN )) 4.000 2.000 2.000 peak 951 spectrum 1 weight 0.10000E+01 volume 0.16471E-02 ppm1 3.462 ppm2 6.537 CV 1 ASSI { 952} (( segid " A" and resid 135 and name HB2 )) (( segid " A" and resid 135 and name HN )) 3.000 1.100 1.100 peak 952 spectrum 1 weight 0.10000E+01 volume 0.17753E-02 ppm1 2.616 ppm2 6.542 CV 1 ASSI { 955} (( segid " A" and resid 135 and name HB2 )) (( segid " A" and resid 135 and name HB1 )) 2.000 0.500 0.500 peak 955 spectrum 1 weight 0.10000E+01 volume 0.43795E-02 ppm1 2.625 ppm2 3.454 CV 1 ASSI { 956} (( segid " A" and resid 135 and name HA )) (( segid " A" and resid 135 and name HB1 )) 2.500 0.800 0.800 peak 956 spectrum 1 weight 0.10000E+01 volume 0.43262E-02 ppm1 3.895 ppm2 3.478 CV 1 ASSI { 957} (( segid " A" and resid 135 and name HA )) (( segid " A" and resid 135 and name HB2 )) 3.200 1.300 1.300 peak 957 spectrum 1 weight 0.10000E+01 volume 0.32576E-02 ppm1 3.890 ppm2 2.612 CV 1 ASSI { 958} (( segid " A" and resid 136 and name HA2 )) (( segid " A" and resid 136 and name HN )) 3.200 1.300 1.300 peak 958 spectrum 1 weight 0.10000E+01 volume 0.17986E-02 ppm1 4.102 ppm2 7.728 CV 1 ASSI { 959} (( segid " A" and resid 136 and name HA1 )) (( segid " A" and resid 136 and name HN )) 3.100 1.200 1.200 peak 959 spectrum 1 weight 0.10000E+01 volume 0.19309E-02 ppm1 3.952 ppm2 7.713 CV 1 ASSI { 960} (( segid " A" and resid 136 and name HA1 )) (( segid " A" and resid 136 and name HA2 )) 2.100 0.600 0.600 peak 960 spectrum 1 weight 0.10000E+01 volume 0.44061E-02 ppm1 3.950 ppm2 4.117 CV 1 ASSI { 961} (( segid " A" and resid 138 and name HA )) (( segid " A" and resid 138 and name HN )) 3.400 1.400 1.400 peak 961 spectrum 1 weight 0.10000E+01 volume 0.99874E-03 ppm1 3.760 ppm2 8.807 CV 1 ASSI { 962} (( segid " A" and resid 138 and name HB )) (( segid " A" and resid 138 and name HN )) 2.700 0.900 0.900 peak 962 spectrum 1 weight 0.10000E+01 volume 0.44802E-02 ppm1 1.651 ppm2 8.789 CV 1 ASSI { 963} (( segid " A" and resid 139 and name HA )) (( segid " A" and resid 139 and name HN )) 3.100 1.200 1.200 peak 963 spectrum 1 weight 0.10000E+01 volume 0.25368E-02 ppm1 4.324 ppm2 9.524 CV 1 ASSI { 965} (( segid " A" and resid 140 and name HB2 )) (( segid " A" and resid 140 and name HN )) 3.700 1.700 1.700 peak 965 spectrum 1 weight 0.10000E+01 volume 0.15980E-02 ppm1 3.689 ppm2 7.735 CV 1 ASSI { 966} (( segid " A" and resid 140 and name HB1 )) (( segid " A" and resid 140 and name HN )) 3.300 1.400 1.400 peak 966 spectrum 1 weight 0.10000E+01 volume 0.18460E-02 ppm1 3.762 ppm2 7.735 CV 1 ASSI { 967} (( segid " A" and resid 140 and name HB2 )) (( segid " A" and resid 140 and name HA )) 2.400 0.700 0.700 peak 967 spectrum 1 weight 0.10000E+01 volume 0.11086E-01 ppm1 3.693 ppm2 4.485 CV 1 ASSI { 968} (( segid " A" and resid 140 and name HB1 )) (( segid " A" and resid 140 and name HA )) 2.700 0.900 0.900 peak 968 spectrum 1 weight 0.10000E+01 volume 0.10994E-01 ppm1 3.756 ppm2 4.492 CV 1 ASSI { 969} (( segid " A" and resid 141 and name HB )) (( segid " A" and resid 141 and name HN )) 3.000 1.200 1.200 peak 969 spectrum 1 weight 0.10000E+01 volume 0.27274E-02 ppm1 1.630 ppm2 8.209 CV 1 ASSI { 970} (( segid " A" and resid 142 and name HA )) (( segid " A" and resid 142 and name HN )) 3.100 1.200 1.200 peak 970 spectrum 1 weight 0.10000E+01 volume 0.26034E-02 ppm1 5.031 ppm2 8.924 CV 1 ASSI { 971} (( segid " A" and resid 142 and name HA )) (( segid " A" and resid 142 and name HB1 )) 2.900 1.100 1.100 peak 971 spectrum 1 weight 0.10000E+01 volume 0.38152E-02 ppm1 5.030 ppm2 2.821 CV 1 ASSI { 972} (( segid " A" and resid 142 and name HA )) (( segid " A" and resid 142 and name HB2 )) 3.000 1.200 1.200 peak 972 spectrum 1 weight 0.10000E+01 volume 0.39950E-02 ppm1 5.031 ppm2 2.618 CV 1 ASSI { 973} (( segid " A" and resid 142 and name HB1 )) (( segid " A" and resid 142 and name HN )) 3.200 1.300 1.300 peak 973 spectrum 1 weight 0.10000E+01 volume 0.44128E-02 ppm1 2.825 ppm2 8.929 CV 1 ASSI { 974} (( segid " A" and resid 142 and name HB2 )) (( segid " A" and resid 142 and name HN )) 2.700 0.900 0.900 peak 974 spectrum 1 weight 0.10000E+01 volume 0.42463E-02 ppm1 2.621 ppm2 8.924 CV 1 ASSI { 977} (( segid " A" and resid 157 and name HA )) (( segid " A" and resid 157 and name HN )) 3.000 1.100 1.100 peak 977 spectrum 1 weight 0.10000E+01 volume 0.21623E-02 ppm1 5.469 ppm2 8.444 CV 1 ASSI { 978} (( segid " A" and resid 157 and name HA )) (( segid " A" and resid 157 and name HB1 )) 2.800 1.000 1.000 peak 978 spectrum 1 weight 0.10000E+01 volume 0.27107E-02 ppm1 5.468 ppm2 2.928 CV 1 ASSI { 979} (( segid " A" and resid 157 and name HA )) (( segid " A" and resid 157 and name HB2 )) 3.200 1.300 1.300 peak 979 spectrum 1 weight 0.10000E+01 volume 0.33050E-02 ppm1 5.466 ppm2 2.732 CV 1 ASSI { 980} (( segid " A" and resid 158 and name HA )) (( segid " A" and resid 158 and name HN )) 2.800 1.000 1.000 peak 980 spectrum 1 weight 0.10000E+01 volume 0.35172E-02 ppm1 4.090 ppm2 8.906 CV 1 ASSI { 981} (( segid " A" and resid 158 and name HA )) (( segid " A" and resid 158 and name HB )) 2.900 1.100 1.100 peak 981 spectrum 1 weight 0.10000E+01 volume 0.28547E-02 ppm1 4.085 ppm2 1.431 CV 1 ASSI { 982} (( segid " A" and resid 158 and name HA )) ( segid " A" and resid 158 and name HG1%) 2.500 0.800 0.800 peak 982 spectrum 1 weight 0.10000E+01 volume 0.63728E-02 ppm1 4.090 ppm2 0.127 CV 1 ASSI { 983} (( segid " A" and resid 158 and name HA )) ( segid " A" and resid 158 and name HG2%) 2.500 0.800 0.800 peak 983 spectrum 1 weight 0.10000E+01 volume 0.63545E-02 ppm1 4.090 ppm2 0.039 CV 1 ASSI { 984} (( segid " A" and resid 158 and name HB )) (( segid " A" and resid 158 and name HN )) 2.500 0.800 0.800 peak 984 spectrum 1 weight 0.10000E+01 volume 0.46342E-02 ppm1 1.436 ppm2 8.897 CV 1 ASSI { 986} (( segid " A" and resid 158 and name HB )) ( segid " A" and resid 158 and name HG1%) 2.200 0.600 0.600 peak 986 spectrum 1 weight 0.10000E+01 volume 0.96378E-02 ppm1 1.435 ppm2 0.126 CV 1 ASSI { 987} (( segid " A" and resid 158 and name HB )) ( segid " A" and resid 158 and name HG2%) 2.200 0.600 0.600 peak 987 spectrum 1 weight 0.10000E+01 volume 0.11036E-01 ppm1 1.435 ppm2 0.037 CV 1 ASSI { 988} ( segid " A" and resid 158 and name HG1%) (( segid " A" and resid 158 and name HN )) 3.700 1.700 1.700 peak 988 spectrum 1 weight 0.10000E+01 volume 0.32759E-02 ppm1 0.133 ppm2 8.909 CV 1 ASSI { 991} ( segid " A" and resid 158 and name HG2%) (( segid " A" and resid 158 and name HN )) 2.700 0.900 0.900 peak 991 spectrum 1 weight 0.10000E+01 volume 0.60990E-02 ppm1 0.035 ppm2 8.901 CV 1 ASSI { 994} (( segid " A" and resid 159 and name HA )) (( segid " A" and resid 159 and name HN )) 3.300 1.300 1.300 peak 994 spectrum 1 weight 0.10000E+01 volume 0.12834E-02 ppm1 5.022 ppm2 8.657 CV 1 ASSI { 995} (( segid " A" and resid 160 and name HA )) (( segid " A" and resid 160 and name HN )) 3.200 1.200 1.200 peak 995 spectrum 1 weight 0.10000E+01 volume 0.16304E-02 ppm1 5.110 ppm2 8.957 CV 1 ASSI { 996} (( segid " A" and resid 160 and name HB1 )) (( segid " A" and resid 160 and name HN )) 4.200 2.200 1.800 peak 996 spectrum 1 weight 0.10000E+01 volume 0.16446E-02 ppm1 3.129 ppm2 8.952 CV 1 ASSI { 997} (( segid " A" and resid 160 and name HB2 )) (( segid " A" and resid 160 and name HN )) 2.900 1.000 1.000 peak 997 spectrum 1 weight 0.10000E+01 volume 0.21257E-02 ppm1 2.759 ppm2 8.948 CV 1 ASSI { 1001} (( segid " A" and resid 160 and name HB1 )) (( segid " A" and resid 160 and name HB2 )) 2.300 0.600 0.600 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.33425E-02 ppm1 3.133 ppm2 2.775 CV 1 ASSI { 1002} (( segid " A" and resid 160 and name HA )) (( segid " A" and resid 160 and name HB1 )) 2.900 1.000 1.000 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.21123E-02 ppm1 5.111 ppm2 3.120 CV 1 ASSI { 1003} (( segid " A" and resid 160 and name HA )) (( segid " A" and resid 160 and name HB2 )) 3.400 1.500 1.500 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.19143E-02 ppm1 5.111 ppm2 2.761 CV 1 ASSI { 1004} (( segid " A" and resid 161 and name HA )) (( segid " A" and resid 161 and name HN )) 3.000 1.100 1.100 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.29405E-02 ppm1 4.211 ppm2 8.712 CV 1 ASSI { 1005} (( segid " A" and resid 161 and name HB2 )) (( segid " A" and resid 161 and name HN )) 2.700 0.900 0.900 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.27807E-02 ppm1 2.229 ppm2 8.710 CV 1 ASSI { 1006} (( segid " A" and resid 161 and name HB1 )) (( segid " A" and resid 161 and name HN )) 3.800 1.800 1.800 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.33658E-02 ppm1 1.975 ppm2 8.709 CV 1 ASSI { 1007} (( segid " A" and resid 162 and name HA )) (( segid " A" and resid 162 and name HN )) 3.600 1.600 1.600 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.76653E-03 ppm1 4.867 ppm2 6.845 CV 1 ASSI { 1011} (( segid " A" and resid 162 and name HB )) (( segid " A" and resid 162 and name HN )) 3.600 1.600 1.600 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.27074E-02 ppm1 2.192 ppm2 6.847 CV 1 ASSI { 1012} (( segid " A" and resid 162 and name HB )) (( segid " A" and resid 162 and name HA )) 2.400 0.700 0.700 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.87223E-02 ppm1 2.190 ppm2 4.860 CV 1 ASSI { 1015} ( segid " A" and resid 162 and name HG1%) ( segid " A" and resid 252 and name HE% ) 2.600 0.900 0.900 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.85559E-02 ppm1 1.058 ppm2 6.834 CV 1 OR { 1015} ( segid " A" and resid 162 and name HG1%) (( segid " A" and resid 162 and name HN )) ASSI { 1016} ( segid " A" and resid 162 and name HG1%) (( segid " A" and resid 162 and name HA )) 2.400 0.700 0.700 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.12085E-01 ppm1 1.059 ppm2 4.860 CV 1 ASSI { 1017} ( segid " A" and resid 162 and name HG1%) (( segid " A" and resid 162 and name HB )) 2.100 0.600 0.600 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.19176E-01 ppm1 1.060 ppm2 2.200 CV 1 ASSI { 1018} ( segid " A" and resid 162 and name HG1%) ( segid " A" and resid 162 and name HG2%) 2.000 0.500 0.500 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.38676E-01 ppm1 1.058 ppm2 0.758 CV 1 ASSI { 1019} ( segid " A" and resid 162 and name HG2%) (( segid " A" and resid 162 and name HN )) 2.200 0.600 0.600 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.13391E-01 ppm1 0.762 ppm2 6.844 CV 1 ASSI { 1020} ( segid " A" and resid 162 and name HG2%) (( segid " A" and resid 162 and name HA )) 3.200 1.300 1.300 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.52292E-02 ppm1 0.762 ppm2 4.860 CV 1 ASSI { 1021} ( segid " A" and resid 162 and name HG2%) (( segid " A" and resid 162 and name HB )) 2.100 0.500 0.500 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.17653E-01 ppm1 0.762 ppm2 2.200 CV 1 ASSI { 1023} (( segid " A" and resid 164 and name HA )) (( segid " A" and resid 164 and name HN )) 3.100 1.200 1.200 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.24236E-02 ppm1 3.313 ppm2 9.447 CV 1 ASSI { 1024} (( segid " A" and resid 164 and name HB2 )) (( segid " A" and resid 164 and name HN )) 3.100 1.200 1.200 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.18244E-02 ppm1 0.728 ppm2 9.443 CV 1 OR { 1024} (( segid " A" and resid 164 and name HB1 )) (( segid " A" and resid 164 and name HN )) ASSI { 1025} (( segid " A" and resid 165 and name HA )) (( segid " A" and resid 165 and name HN )) 2.500 0.800 0.800 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.51485E-02 ppm1 3.652 ppm2 6.329 CV 1 ASSI { 1026} (( segid " A" and resid 165 and name HA )) ( segid " A" and resid 165 and name HB% ) 2.200 0.600 0.600 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.99208E-02 ppm1 3.653 ppm2 0.652 CV 1 ASSI { 1027} ( segid " A" and resid 165 and name HB% ) (( segid " A" and resid 165 and name HN )) 2.300 0.600 0.600 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.95713E-02 ppm1 0.656 ppm2 6.331 CV 1 ASSI { 1029} (( segid " A" and resid 165 and name HA )) (( segid " A" and resid 166 and name HN )) 2.800 1.000 1.000 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.41256E-02 ppm1 3.653 ppm2 5.929 CV 1 ASSI { 1031} ( segid " A" and resid 166 and name HB% ) (( segid " A" and resid 166 and name HN )) 2.400 0.700 0.700 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.11952E-01 ppm1 1.469 ppm2 5.931 CV 1 ASSI { 1032} ( segid " A" and resid 166 and name HB% ) (( segid " A" and resid 166 and name HA )) 2.300 0.600 0.600 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.15222E-01 ppm1 1.467 ppm2 3.655 CV 1 ASSI { 1033} (( segid " A" and resid 167 and name HA )) (( segid " A" and resid 167 and name HN )) 2.800 1.000 1.000 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.40091E-02 ppm1 3.723 ppm2 7.375 CV 1 ASSI { 1034} (( segid " A" and resid 272 and name HG )) (( segid " A" and resid 271 and name HD21)) 3.700 1.700 1.700 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.20116E-02 ppm1 1.499 ppm2 7.851 CV 1 ASSI { 1036} ( segid " A" and resid 168 and name HD2%) (( segid " A" and resid 281 and name HA )) 4.000 2.000 2.000 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.16404E-02 ppm1 1.023 ppm2 5.242 CV 1 ASSI { 1037} (( segid " A" and resid 250 and name HA )) (( segid " A" and resid 250 and name HN )) 3.100 1.200 1.200 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.20857E-02 ppm1 4.432 ppm2 8.612 CV 1 ASSI { 1038} ( segid " A" and resid 211 and name HG2%) (( segid " A" and resid 211 and name HA )) 2.400 0.700 0.700 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.84227E-02 ppm1 0.970 ppm2 5.072 CV 1 ASSI { 1039} (( segid " A" and resid 157 and name HB1 )) (( segid " A" and resid 157 and name HN )) 3.900 1.900 1.900 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.24269E-02 ppm1 2.959 ppm2 8.449 CV 1 ASSI { 1040} (( segid " A" and resid 242 and name HD2 )) (( segid " A" and resid 243 and name HN )) 4.100 2.100 1.900 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.18102E-02 ppm1 3.034 ppm2 8.446 CV 1 OR { 1040} (( segid " A" and resid 242 and name HD2 )) (( segid " A" and resid 242 and name HN )) ASSI { 1041} (( segid " A" and resid 157 and name HB2 )) (( segid " A" and resid 157 and name HN )) 3.300 1.400 1.400 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.11877E-02 ppm1 2.740 ppm2 8.461 CV 1 ASSI { 1042} (( segid " A" and resid 235 and name HG11)) (( segid " A" and resid 235 and name HN )) 2.700 0.900 0.900 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.18577E-02 ppm1 0.168 ppm2 9.105 CV 1 ASSI { 1043} (( segid " A" and resid 139 and name HB2 )) (( segid " A" and resid 139 and name HN )) 2.900 1.000 1.000 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.26941E-02 ppm1 1.533 ppm2 9.527 CV 1 ASSI { 1044} (( segid " A" and resid 139 and name HB1 )) (( segid " A" and resid 139 and name HN )) 2.700 0.900 0.900 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.27873E-02 ppm1 1.419 ppm2 9.528 CV 1 ASSI { 1045} (( segid " A" and resid 210 and name HB1 )) (( segid " A" and resid 211 and name HN )) 4.100 2.100 1.900 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.95380E-03 ppm1 1.631 ppm2 9.515 CV 1 ASSI { 1046} (( segid " A" and resid 210 and name HB2 )) (( segid " A" and resid 211 and name HN )) 4.100 2.100 1.900 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.97793E-03 ppm1 1.875 ppm2 9.513 CV 1 ASSI { 1047} (( segid " A" and resid 172 and name HG2 )) (( segid " A" and resid 172 and name HN )) 3.900 1.900 1.900 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.25035E-02 ppm1 2.774 ppm2 8.156 CV 1 ASSI { 1048} (( segid " A" and resid 111 and name HG1 )) (( segid " A" and resid 111 and name HN )) 2.900 1.000 1.000 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.30828E-02 ppm1 2.608 ppm2 8.198 CV 1 OR { 1048} (( segid " A" and resid 111 and name HG2 )) (( segid " A" and resid 111 and name HN )) ASSI { 1049} (( segid " A" and resid 264 and name HG1 )) (( segid " A" and resid 265 and name HN )) 3.400 1.500 1.500 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.47207E-02 ppm1 2.374 ppm2 8.206 CV 1 ASSI { 1051} (( segid " A" and resid 210 and name HA )) (( segid " A" and resid 210 and name HG2 )) 3.700 1.700 1.700 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.13350E-02 ppm1 5.735 ppm2 1.731 CV 1 ASSI { 1052} (( segid " A" and resid 210 and name HA )) (( segid " A" and resid 210 and name HB1 )) 3.500 1.500 1.500 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.15389E-02 ppm1 5.736 ppm2 1.620 CV 1 ASSI { 1053} (( segid " A" and resid 210 and name HA )) (( segid " A" and resid 210 and name HG1 )) 3.100 1.200 1.200 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.18269E-02 ppm1 5.734 ppm2 1.498 CV 1 ASSI { 1055} (( segid " A" and resid 210 and name HB2 )) (( segid " A" and resid 210 and name HA )) 3.000 1.100 1.100 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.17045E-02 ppm1 1.867 ppm2 5.736 CV 1 ASSI { 1058} (( segid " A" and resid 210 and name HG1 )) (( segid " A" and resid 210 and name HG2 )) 1.400 0.300 0.800 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.42580E-01 ppm1 1.479 ppm2 1.727 CV 1 ASSI { 1059} (( segid " A" and resid 211 and name HA )) (( segid " A" and resid 285 and name HN )) 2.500 0.800 0.800 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.30969E-02 ppm1 5.082 ppm2 7.757 CV 1 ASSI { 1060} ( segid " A" and resid 211 and name HG2%) ( segid " A" and resid 211 and name HD1%) 2.100 0.500 0.500 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.17811E-01 ppm1 0.966 ppm2 0.754 CV 1 ASSI { 1062} (( segid " A" and resid 211 and name HA )) (( segid " A" and resid 211 and name HG12)) 3.800 1.800 1.800 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.10994E-02 ppm1 5.081 ppm2 1.263 CV 1 ASSI { 1064} (( segid " A" and resid 211 and name HA )) ( segid " A" and resid 211 and name HD1%) 4.300 2.300 1.700 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.18743E-02 ppm1 5.091 ppm2 0.761 CV 1 ASSI { 1065} (( segid " A" and resid 211 and name HA )) (( segid " A" and resid 211 and name HG11)) 3.400 1.400 1.400 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.20724E-02 ppm1 5.080 ppm2 1.060 CV 1 ASSI { 1066} (( segid " A" and resid 211 and name HB )) (( segid " A" and resid 211 and name HG12)) 3.100 1.200 1.200 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.31535E-02 ppm1 1.986 ppm2 1.259 CV 1 ASSI { 1068} (( segid " A" and resid 183 and name HB )) ( segid " A" and resid 183 and name HG2%) 2.300 0.600 0.600 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.10761E-01 ppm1 2.016 ppm2 0.951 CV 1 ASSI { 1070} (( segid " A" and resid 211 and name HB )) (( segid " A" and resid 211 and name HG11)) 2.400 0.700 0.700 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.55230E-02 ppm1 1.988 ppm2 1.070 CV 1 ASSI { 1073} (( segid " A" and resid 211 and name HG11)) (( segid " A" and resid 211 and name HG12)) 1.800 0.400 0.400 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.10162E-01 ppm1 1.071 ppm2 1.260 CV 1 ASSI { 1075} (( segid " A" and resid 211 and name HG11)) ( segid " A" and resid 211 and name HD1%) 2.400 0.700 0.700 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.71202E-02 ppm1 1.072 ppm2 0.742 CV 1 ASSI { 1077} ( segid " A" and resid 211 and name HG2%) (( segid " A" and resid 211 and name HB )) 2.100 0.500 0.500 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.16363E-01 ppm1 0.971 ppm2 1.982 CV 1 ASSI { 1078} ( segid " A" and resid 211 and name HG2%) (( segid " A" and resid 211 and name HG12)) 2.400 0.700 0.700 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.78393E-02 ppm1 0.968 ppm2 1.257 CV 1 ASSI { 1080} ( segid " A" and resid 211 and name HD1%) (( segid " A" and resid 211 and name HB )) 2.400 0.700 0.700 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.78010E-02 ppm1 0.754 ppm2 1.985 CV 1 ASSI { 1081} ( segid " A" and resid 211 and name HD1%) (( segid " A" and resid 211 and name HG12)) 2.100 0.500 0.500 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.14282E-01 ppm1 0.754 ppm2 1.271 CV 1 ASSI { 1084} (( segid " A" and resid 168 and name HA )) (( segid " A" and resid 168 and name HN )) 2.800 1.000 1.000 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.41922E-02 ppm1 4.029 ppm2 7.470 CV 1 ASSI { 1085} (( segid " A" and resid 168 and name HA )) (( segid " A" and resid 168 and name HB1 )) 2.900 1.000 1.000 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.52292E-02 ppm1 4.032 ppm2 1.559 CV 1 ASSI { 1086} (( segid " A" and resid 168 and name HA )) ( segid " A" and resid 168 and name HD2%) 3.600 1.600 1.600 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.49346E-02 ppm1 4.028 ppm2 1.026 CV 1 ASSI { 1087} (( segid " A" and resid 168 and name HA )) ( segid " A" and resid 168 and name HD1%) 2.400 0.700 0.700 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.92134E-02 ppm1 4.030 ppm2 0.928 CV 1 ASSI { 1088} (( segid " A" and resid 168 and name HB1 )) (( segid " A" and resid 168 and name HN )) 2.500 0.800 0.800 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.35555E-02 ppm1 1.549 ppm2 7.466 CV 1 ASSI { 1089} (( segid " A" and resid 168 and name HB2 )) (( segid " A" and resid 168 and name HN )) 3.000 1.100 1.100 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.43395E-02 ppm1 1.868 ppm2 7.467 CV 1 ASSI { 1093} (( segid " A" and resid 168 and name HB2 )) (( segid " A" and resid 168 and name HB1 )) 1.800 0.400 0.400 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.79716E-02 ppm1 1.869 ppm2 1.543 CV 1 ASSI { 1096} (( segid " A" and resid 168 and name HB2 )) ( segid " A" and resid 168 and name HD1%) 2.800 1.000 1.000 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.39617E-02 ppm1 1.872 ppm2 0.913 CV 1 ASSI { 1097} (( segid " A" and resid 170 and name HB1 )) ( segid " A" and resid 114 and name HG1%) 3.100 3.100 2.900 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.17869E-01 ppm1 1.578 ppm2 0.897 CV 1 OR { 1097} (( segid " A" and resid 170 and name HB1 )) ( segid " A" and resid 168 and name HD1%) ASSI { 1099} ( segid " A" and resid 168 and name HD2%) (( segid " A" and resid 168 and name HN )) 4.000 2.000 2.000 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.40565E-02 ppm1 1.025 ppm2 7.466 CV 1 ASSI { 1100} ( segid " A" and resid 168 and name HD2%) (( segid " A" and resid 168 and name HA )) 3.300 1.400 1.400 peak 1100 spectrum 1 weight 0.10000E+01 volume 0.84144E-02 ppm1 1.025 ppm2 4.030 CV 1 OR { 1100} ( segid " A" and resid 168 and name HD2%) (( segid " A" and resid 283 and name HA2 )) ASSI { 1101} ( segid " A" and resid 168 and name HD2%) (( segid " A" and resid 168 and name HB2 )) 2.000 0.500 0.500 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.24469E-01 ppm1 1.025 ppm2 1.880 CV 1 ASSI { 1102} ( segid " A" and resid 168 and name HD1%) (( segid " A" and resid 168 and name HN )) 3.800 1.800 1.800 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.46408E-02 ppm1 0.909 ppm2 7.466 CV 1 ASSI { 1103} ( segid " A" and resid 108 and name HD2%) (( segid " A" and resid 109 and name HN )) 4.700 2.700 1.300 peak 1103 spectrum 1 weight 0.10000E+01 volume 0.14815E-02 ppm1 0.881 ppm2 7.435 CV 1 ASSI { 1104} ( segid " A" and resid 168 and name HD1%) (( segid " A" and resid 168 and name HA )) 2.200 0.600 0.600 peak 1104 spectrum 1 weight 0.10000E+01 volume 0.23637E-01 ppm1 0.909 ppm2 4.027 CV 1 OR { 1104} ( segid " A" and resid 168 and name HD1%) (( segid " A" and resid 283 and name HA2 )) ASSI { 1105} ( segid " A" and resid 168 and name HD1%) (( segid " A" and resid 168 and name HG )) 2.100 0.500 0.500 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.18377E-01 ppm1 0.909 ppm2 1.881 CV 1 OR { 1105} ( segid " A" and resid 168 and name HD1%) (( segid " A" and resid 168 and name HB2 )) ASSI { 1106} ( segid " A" and resid 168 and name HD1%) (( segid " A" and resid 168 and name HB1 )) 2.900 1.000 1.000 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.11269E-01 ppm1 0.906 ppm2 1.552 CV 1 ASSI { 1107} (( segid " A" and resid 169 and name HA )) (( segid " A" and resid 169 and name HN )) 2.800 1.000 1.000 peak 1107 spectrum 1 weight 0.10000E+01 volume 0.41656E-02 ppm1 2.379 ppm2 7.736 CV 1 ASSI { 1108} (( segid " A" and resid 169 and name HA )) ( segid " A" and resid 169 and name HB% ) 2.300 0.600 0.600 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.13674E-01 ppm1 2.376 ppm2 1.348 CV 1 ASSI { 1109} ( segid " A" and resid 169 and name HB% ) (( segid " A" and resid 169 and name HN )) 2.300 0.600 0.600 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.13333E-01 ppm1 1.350 ppm2 7.735 CV 1 ASSI { 1111} (( segid " A" and resid 171 and name HA )) (( segid " A" and resid 171 and name HN )) 2.700 0.900 0.900 peak 1111 spectrum 1 weight 0.10000E+01 volume 0.64202E-02 ppm1 4.041 ppm2 7.596 CV 1 ASSI { 1113} (( segid " A" and resid 171 and name HB1 )) (( segid " A" and resid 171 and name HN )) 3.900 1.900 1.900 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.31535E-02 ppm1 2.179 ppm2 7.601 CV 1 ASSI { 1114} (( segid " A" and resid 171 and name HB2 )) (( segid " A" and resid 171 and name HN )) 2.300 0.600 0.600 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.59383E-02 ppm1 2.059 ppm2 7.610 CV 1 ASSI { 1115} (( segid " A" and resid 171 and name HB2 )) (( segid " A" and resid 171 and name HA )) 2.600 0.900 0.900 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.10420E-01 ppm1 2.053 ppm2 4.039 CV 1 ASSI { 1116} (( segid " A" and resid 171 and name HB1 )) (( segid " A" and resid 171 and name HA )) 2.800 0.900 0.900 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.59858E-02 ppm1 2.178 ppm2 4.036 CV 1 ASSI { 1117} (( segid " A" and resid 171 and name HB1 )) (( segid " A" and resid 171 and name HG2 )) 3.000 1.100 1.100 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.44402E-02 ppm1 2.178 ppm2 2.666 CV 1 ASSI { 1119} (( segid " A" and resid 171 and name HG1 )) (( segid " A" and resid 171 and name HN )) 3.500 1.500 1.500 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.40183E-02 ppm1 2.255 ppm2 7.603 CV 1 ASSI { 1120} (( segid " A" and resid 171 and name HG2 )) (( segid " A" and resid 171 and name HN )) 3.400 1.500 1.500 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.44128E-02 ppm1 2.662 ppm2 7.600 CV 1 ASSI { 1121} (( segid " A" and resid 171 and name HG1 )) (( segid " A" and resid 171 and name HA )) 2.900 1.100 1.100 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.10012E-01 ppm1 2.256 ppm2 4.045 CV 1 OR { 1121} (( segid " A" and resid 171 and name HG1 )) (( segid " A" and resid 168 and name HA )) ASSI { 1122} (( segid " A" and resid 171 and name HG1 )) (( segid " A" and resid 171 and name HG2 )) 1.800 0.400 0.400 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.21664E-01 ppm1 2.256 ppm2 2.661 CV 1 ASSI { 1124} (( segid " A" and resid 171 and name HG2 )) (( segid " A" and resid 171 and name HB2 )) 2.600 0.800 0.800 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.94797E-02 ppm1 2.661 ppm2 2.085 CV 1 ASSI { 1126} (( segid " A" and resid 140 and name HA )) (( segid " A" and resid 141 and name HN )) 3.400 1.400 1.400 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.15197E-02 ppm1 4.488 ppm2 8.224 CV 1 ASSI { 1127} (( segid " A" and resid 172 and name HB1 )) (( segid " A" and resid 172 and name HN )) 4.100 2.100 1.900 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.22197E-02 ppm1 2.368 ppm2 8.145 CV 1 ASSI { 1128} (( segid " A" and resid 172 and name HB1 )) (( segid " A" and resid 172 and name HA )) 2.900 1.100 1.100 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.33333E-02 ppm1 2.370 ppm2 4.462 CV 1 ASSI { 1129} (( segid " A" and resid 172 and name HB2 )) (( segid " A" and resid 172 and name HA )) 3.100 1.200 1.200 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.58177E-02 ppm1 1.738 ppm2 4.459 CV 1 ASSI { 1130} (( segid " A" and resid 172 and name HB2 )) (( segid " A" and resid 172 and name HG2 )) 3.500 1.500 1.500 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.27640E-02 ppm1 1.743 ppm2 2.770 CV 1 ASSI { 1132} (( segid " A" and resid 172 and name HB2 )) (( segid " A" and resid 172 and name HB1 )) 1.900 0.500 0.500 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.10071E-01 ppm1 1.742 ppm2 2.382 CV 1 ASSI { 1133} (( segid " A" and resid 172 and name HB2 )) (( segid " A" and resid 172 and name HG1 )) 2.300 0.700 0.700 peak 1133 spectrum 1 weight 0.10000E+01 volume 0.94298E-02 ppm1 1.737 ppm2 2.405 CV 1 ASSI { 1134} (( segid " A" and resid 172 and name HG1 )) (( segid " A" and resid 172 and name HN )) 2.900 1.000 1.000 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.28248E-02 ppm1 2.414 ppm2 8.153 CV 1 ASSI { 1135} (( segid " A" and resid 172 and name HG2 )) (( segid " A" and resid 172 and name HE21)) 3.100 1.200 1.200 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.30728E-02 ppm1 2.776 ppm2 7.755 CV 1 ASSI { 1136} (( segid " A" and resid 172 and name HG1 )) (( segid " A" and resid 172 and name HE21)) 2.700 0.900 0.900 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.32334E-02 ppm1 2.415 ppm2 7.754 CV 1 ASSI { 1137} (( segid " A" and resid 172 and name HG2 )) (( segid " A" and resid 172 and name HE22)) 4.200 2.200 1.800 peak 1137 spectrum 1 weight 0.10000E+01 volume 0.17819E-02 ppm1 2.774 ppm2 6.894 CV 1 ASSI { 1138} (( segid " A" and resid 172 and name HG1 )) (( segid " A" and resid 172 and name HE22)) 4.200 2.200 1.800 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.16779E-02 ppm1 2.417 ppm2 6.895 CV 1 ASSI { 1139} (( segid " A" and resid 172 and name HG2 )) (( segid " A" and resid 172 and name HA )) 2.900 1.100 1.100 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.32384E-02 ppm1 2.774 ppm2 4.464 CV 1 ASSI { 1140} (( segid " A" and resid 172 and name HG1 )) (( segid " A" and resid 172 and name HA )) 3.100 1.200 1.200 peak 1140 spectrum 1 weight 0.10000E+01 volume 0.59949E-02 ppm1 2.416 ppm2 4.459 CV 1 ASSI { 1141} (( segid " A" and resid 172 and name HG1 )) (( segid " A" and resid 172 and name HG2 )) 1.900 0.500 0.500 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.12251E-01 ppm1 2.415 ppm2 2.772 CV 1 ASSI { 1143} (( segid " A" and resid 172 and name HG2 )) (( segid " A" and resid 172 and name HB1 )) 2.500 0.800 0.800 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.81797E-02 ppm1 2.778 ppm2 2.369 CV 1 ASSI { 1146} (( segid " A" and resid 170 and name HA )) (( segid " A" and resid 170 and name HN )) 2.800 0.900 0.900 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.46067E-02 ppm1 3.748 ppm2 8.000 CV 1 ASSI { 1147} (( segid " A" and resid 170 and name HB2 )) (( segid " A" and resid 170 and name HN )) 2.600 0.800 0.800 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.60041E-02 ppm1 1.794 ppm2 8.002 CV 1 ASSI { 1148} (( segid " A" and resid 170 and name HB1 )) (( segid " A" and resid 170 and name HN )) 2.500 0.800 0.800 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.55097E-02 ppm1 1.574 ppm2 8.000 CV 1 ASSI { 1149} (( segid " A" and resid 252 and name HA )) (( segid " A" and resid 253 and name HN )) 2.600 0.800 0.800 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.47473E-02 ppm1 5.620 ppm2 8.813 CV 1 ASSI { 1150} ( segid " A" and resid 111 and name HE% ) (( segid " A" and resid 201 and name HN )) 4.300 2.400 1.700 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.11078E-02 ppm1 1.972 ppm2 8.643 CV 1 ASSI { 1151} ( segid " A" and resid 111 and name HE% ) (( segid " A" and resid 112 and name HN )) 4.800 2.900 1.200 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.13600E-02 ppm1 1.972 ppm2 7.237 CV 1 OR { 1151} ( segid " A" and resid 111 and name HE% ) (( segid " A" and resid 287 and name HN )) ASSI { 1154} (( segid " A" and resid 286 and name HB )) (( segid " A" and resid 287 and name HN )) 4.300 2.300 1.700 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.10545E-02 ppm1 2.374 ppm2 7.231 CV 1 ASSI { 1155} ( segid " A" and resid 285 and name HB% ) (( segid " A" and resid 286 and name HN )) 3.400 1.500 1.500 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.52892E-02 ppm1 1.525 ppm2 9.839 CV 1 ASSI { 1156} (( segid " A" and resid 284 and name HA )) (( segid " A" and resid 285 and name HN )) 2.600 0.900 0.900 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.28947E-02 ppm1 4.438 ppm2 7.762 CV 1 ASSI { 1157} (( segid " A" and resid 284 and name HB1 )) (( segid " A" and resid 285 and name HN )) 3.300 1.400 1.400 peak 1157 spectrum 1 weight 0.10000E+01 volume 0.23728E-02 ppm1 1.847 ppm2 7.763 CV 1 ASSI { 1158} (( segid " A" and resid 284 and name HB2 )) (( segid " A" and resid 285 and name HN )) 3.800 1.800 1.800 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.32434E-02 ppm1 2.000 ppm2 7.764 CV 1 ASSI { 1159} (( segid " A" and resid 283 and name HA2 )) (( segid " A" and resid 284 and name HN )) 2.400 0.700 0.700 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.56770E-02 ppm1 4.035 ppm2 8.605 CV 1 ASSI { 1160} (( segid " A" and resid 282 and name HB )) (( segid " A" and resid 283 and name HN )) 4.400 2.400 1.600 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.11710E-02 ppm1 1.804 ppm2 9.045 CV 1 ASSI { 1161} (( segid " A" and resid 281 and name HA )) (( segid " A" and resid 282 and name HN )) 2.300 0.700 0.700 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.74697E-02 ppm1 5.247 ppm2 8.757 CV 1 ASSI { 1162} (( segid " A" and resid 281 and name HB1 )) (( segid " A" and resid 282 and name HN )) 4.000 2.000 2.000 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.12026E-02 ppm1 1.760 ppm2 8.759 CV 1 OR { 1162} (( segid " A" and resid 281 and name HB2 )) (( segid " A" and resid 282 and name HN )) ASSI { 1163} (( segid " A" and resid 280 and name HA )) (( segid " A" and resid 281 and name HN )) 3.000 1.100 1.100 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.15056E-02 ppm1 4.459 ppm2 7.756 CV 1 ASSI { 1164} (( segid " A" and resid 280 and name HB1 )) (( segid " A" and resid 281 and name HN )) 3.400 1.400 1.400 peak 1164 spectrum 1 weight 0.10000E+01 volume 0.19783E-02 ppm1 1.357 ppm2 7.752 CV 1 ASSI { 1166} (( segid " A" and resid 279 and name HB2 )) (( segid " A" and resid 280 and name HN )) 4.400 2.500 1.600 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.13616E-02 ppm1 2.734 ppm2 9.172 CV 1 ASSI { 1167} (( segid " A" and resid 279 and name HB1 )) (( segid " A" and resid 280 and name HN )) 3.400 1.400 1.400 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.18693E-02 ppm1 2.559 ppm2 9.177 CV 1 ASSI { 1168} (( segid " A" and resid 278 and name HA )) (( segid " A" and resid 279 and name HN )) 2.600 0.800 0.800 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.58435E-02 ppm1 4.380 ppm2 8.160 CV 1 ASSI { 1169} (( segid " A" and resid 278 and name HB1 )) (( segid " A" and resid 279 and name HN )) 3.100 1.200 1.200 peak 1169 spectrum 1 weight 0.10000E+01 volume 0.23695E-02 ppm1 1.993 ppm2 8.161 CV 1 ASSI { 1170} (( segid " A" and resid 278 and name HB2 )) (( segid " A" and resid 279 and name HN )) 3.800 1.800 1.800 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.35272E-02 ppm1 2.128 ppm2 8.160 CV 1 ASSI { 1171} (( segid " A" and resid 277 and name HA1 )) (( segid " A" and resid 278 and name HN )) 3.500 1.500 1.500 peak 1171 spectrum 1 weight 0.10000E+01 volume 0.16970E-02 ppm1 3.595 ppm2 7.213 CV 1 ASSI { 1172} (( segid " A" and resid 277 and name HA2 )) (( segid " A" and resid 278 and name HN )) 3.600 1.600 1.600 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.26242E-02 ppm1 4.070 ppm2 7.209 CV 1 ASSI { 1173} (( segid " A" and resid 276 and name HA2 )) (( segid " A" and resid 277 and name HN )) 4.000 2.000 2.000 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.93965E-03 ppm1 3.658 ppm2 8.358 CV 1 OR { 1173} (( segid " A" and resid 276 and name HA1 )) (( segid " A" and resid 277 and name HN )) ASSI { 1174} (( segid " A" and resid 276 and name HA2 )) (( segid " A" and resid 276 and name HN )) 4.000 2.000 2.000 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.65834E-03 ppm1 3.683 ppm2 8.849 CV 1 OR { 1174} (( segid " A" and resid 276 and name HA1 )) (( segid " A" and resid 276 and name HN )) ASSI { 1175} (( segid " A" and resid 274 and name HA )) (( segid " A" and resid 275 and name HN )) 2.500 0.800 0.800 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.62504E-02 ppm1 4.335 ppm2 8.355 CV 1 ASSI { 1176} (( segid " A" and resid 274 and name HB1 )) (( segid " A" and resid 275 and name HN )) 4.900 3.000 1.100 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.11394E-02 ppm1 2.105 ppm2 8.351 CV 1 ASSI { 1177} (( segid " A" and resid 274 and name HB2 )) (( segid " A" and resid 275 and name HN )) 4.500 2.600 1.500 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.14224E-02 ppm1 2.453 ppm2 8.358 CV 1 ASSI { 1178} (( segid " A" and resid 273 and name HA )) (( segid " A" and resid 274 and name HN )) 2.500 0.800 0.800 peak 1178 spectrum 1 weight 0.10000E+01 volume 0.64302E-02 ppm1 4.363 ppm2 7.738 CV 1 ASSI { 1179} (( segid " A" and resid 273 and name HB2 )) (( segid " A" and resid 274 and name HN )) 3.800 1.800 1.800 peak 1179 spectrum 1 weight 0.10000E+01 volume 0.46941E-02 ppm1 3.007 ppm2 7.724 CV 1 ASSI { 1180} (( segid " A" and resid 273 and name HB1 )) (( segid " A" and resid 274 and name HN )) 3.800 1.800 1.800 peak 1180 spectrum 1 weight 0.10000E+01 volume 0.34515E-02 ppm1 3.153 ppm2 7.724 CV 1 ASSI { 1181} (( segid " A" and resid 272 and name HA )) (( segid " A" and resid 273 and name HN )) 2.900 1.100 1.100 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.25301E-02 ppm1 3.906 ppm2 7.708 CV 1 ASSI { 1182} (( segid " A" and resid 272 and name HB2 )) (( segid " A" and resid 273 and name HN )) 4.100 2.100 1.900 peak 1182 spectrum 1 weight 0.10000E+01 volume 0.83145E-03 ppm1 2.030 ppm2 7.706 CV 1 ASSI { 1183} (( segid " A" and resid 272 and name HB1 )) (( segid " A" and resid 273 and name HN )) 4.900 3.000 1.100 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.47024E-03 ppm1 1.545 ppm2 7.707 CV 1 ASSI { 1184} (( segid " A" and resid 271 and name HA )) (( segid " A" and resid 271 and name HN )) 3.700 1.700 1.700 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.77236E-03 ppm1 4.437 ppm2 7.498 CV 1 ASSI { 1186} (( segid " A" and resid 271 and name HB2 )) (( segid " A" and resid 272 and name HN )) 4.800 2.900 1.200 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.98626E-03 ppm1 2.961 ppm2 9.185 CV 1 ASSI { 1187} (( segid " A" and resid 271 and name HB1 )) (( segid " A" and resid 272 and name HN )) 4.700 2.800 1.300 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.92716E-03 ppm1 2.853 ppm2 9.176 CV 1 ASSI { 1188} (( segid " A" and resid 270 and name HA )) (( segid " A" and resid 271 and name HN )) 4.100 2.100 1.900 peak 1188 spectrum 1 weight 0.10000E+01 volume 0.53682E-03 ppm1 4.890 ppm2 7.492 CV 1 ASSI { 1189} (( segid " A" and resid 269 and name HB2 )) (( segid " A" and resid 270 and name HN )) 3.100 1.200 1.200 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.16188E-02 ppm1 3.492 ppm2 7.856 CV 1 ASSI { 1190} (( segid " A" and resid 269 and name HB1 )) (( segid " A" and resid 270 and name HN )) 3.700 1.700 1.700 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.17894E-02 ppm1 3.753 ppm2 7.851 CV 1 ASSI { 1191} (( segid " A" and resid 268 and name HA )) (( segid " A" and resid 269 and name HN )) 3.400 1.400 1.400 peak 1191 spectrum 1 weight 0.10000E+01 volume 0.25767E-02 ppm1 4.203 ppm2 7.508 CV 1 ASSI { 1192} (( segid " A" and resid 268 and name HB1 )) (( segid " A" and resid 269 and name HN )) 3.200 1.200 1.200 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.34939E-02 ppm1 3.941 ppm2 7.508 CV 1 OR { 1192} (( segid " A" and resid 268 and name HB2 )) (( segid " A" and resid 269 and name HN )) ASSI { 1193} (( segid " A" and resid 267 and name HA )) (( segid " A" and resid 268 and name HN )) 3.300 1.400 1.400 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.13766E-02 ppm1 3.435 ppm2 7.658 CV 1 ASSI { 1194} (( segid " A" and resid 267 and name HB )) (( segid " A" and resid 268 and name HN )) 2.600 0.800 0.800 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.72151E-02 ppm1 2.061 ppm2 7.637 CV 1 ASSI { 1196} ( segid " A" and resid 266 and name HB% ) (( segid " A" and resid 267 and name HN )) 2.400 0.700 0.700 peak 1196 spectrum 1 weight 0.10000E+01 volume 0.79525E-02 ppm1 1.339 ppm2 7.553 CV 1 ASSI { 1197} (( segid " A" and resid 265 and name HA )) (( segid " A" and resid 266 and name HN )) 3.700 1.700 1.700 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.18319E-02 ppm1 4.261 ppm2 7.940 CV 1 ASSI { 1198} (( segid " A" and resid 265 and name HB2 )) (( segid " A" and resid 266 and name HN )) 2.800 1.000 1.000 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.36970E-02 ppm1 2.721 ppm2 7.936 CV 1 ASSI { 1199} (( segid " A" and resid 265 and name HB1 )) (( segid " A" and resid 266 and name HN )) 3.600 1.600 1.600 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.31394E-02 ppm1 2.747 ppm2 7.937 CV 1 ASSI { 1200} (( segid " A" and resid 264 and name HA )) (( segid " A" and resid 265 and name HN )) 3.200 1.300 1.300 peak 1200 spectrum 1 weight 0.10000E+01 volume 0.28914E-02 ppm1 3.935 ppm2 8.214 CV 1 ASSI { 1201} (( segid " A" and resid 264 and name HB2 )) (( segid " A" and resid 265 and name HN )) 2.800 1.000 1.000 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.52159E-02 ppm1 2.089 ppm2 8.209 CV 1 OR { 1201} (( segid " A" and resid 264 and name HB1 )) (( segid " A" and resid 265 and name HN )) ASSI { 1202} (( segid " A" and resid 263 and name HA )) (( segid " A" and resid 264 and name HN )) 3.600 1.600 1.600 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.11527E-02 ppm1 3.719 ppm2 7.321 CV 1 ASSI { 1203} (( segid " A" and resid 263 and name HB2 )) (( segid " A" and resid 264 and name HN )) 3.600 1.600 1.600 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.13716E-02 ppm1 3.755 ppm2 7.312 CV 1 ASSI { 1204} (( segid " A" and resid 263 and name HB1 )) (( segid " A" and resid 264 and name HN )) 3.700 1.700 1.700 peak 1204 spectrum 1 weight 0.10000E+01 volume 0.14091E-02 ppm1 3.845 ppm2 7.313 CV 1 ASSI { 1205} (( segid " A" and resid 262 and name HA )) (( segid " A" and resid 263 and name HN )) 3.800 1.800 1.800 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.12900E-02 ppm1 4.013 ppm2 6.950 CV 1 ASSI { 1206} (( segid " A" and resid 262 and name HB2 )) (( segid " A" and resid 263 and name HN )) 3.300 1.400 1.400 peak 1206 spectrum 1 weight 0.10000E+01 volume 0.90469E-03 ppm1 2.787 ppm2 6.938 CV 1 ASSI { 1207} (( segid " A" and resid 262 and name HB1 )) (( segid " A" and resid 263 and name HN )) 4.000 2.000 2.000 peak 1207 spectrum 1 weight 0.10000E+01 volume 0.90136E-03 ppm1 3.479 ppm2 6.947 CV 1 ASSI { 1208} (( segid " A" and resid 258 and name HA )) (( segid " A" and resid 259 and name HN )) 3.600 1.600 1.600 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.17561E-02 ppm1 4.112 ppm2 8.769 CV 1 ASSI { 1209} (( segid " A" and resid 258 and name HB2 )) (( segid " A" and resid 259 and name HN )) 2.700 0.900 0.900 peak 1209 spectrum 1 weight 0.10000E+01 volume 0.28514E-02 ppm1 1.961 ppm2 8.765 CV 1 ASSI { 1210} (( segid " A" and resid 258 and name HB1 )) (( segid " A" and resid 259 and name HN )) 4.000 2.000 2.000 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.21423E-02 ppm1 2.220 ppm2 8.764 CV 1 ASSI { 1211} (( segid " A" and resid 257 and name HA )) (( segid " A" and resid 258 and name HN )) 2.700 0.900 0.900 peak 1211 spectrum 1 weight 0.10000E+01 volume 0.21589E-02 ppm1 4.949 ppm2 8.277 CV 1 ASSI { 1212} (( segid " A" and resid 257 and name HA )) (( segid " A" and resid 257 and name HN )) 3.500 1.500 1.500 peak 1212 spectrum 1 weight 0.10000E+01 volume 0.75738E-03 ppm1 4.958 ppm2 8.840 CV 1 ASSI { 1213} (( segid " A" and resid 257 and name HA )) (( segid " A" and resid 236 and name HN )) 2.800 1.000 1.000 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.14890E-02 ppm1 4.949 ppm2 9.096 CV 1 ASSI { 1214} (( segid " A" and resid 256 and name HA )) (( segid " A" and resid 256 and name HN )) 3.000 1.100 1.100 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.22397E-02 ppm1 5.039 ppm2 8.799 CV 1 ASSI { 1215} (( segid " A" and resid 256 and name HB2 )) (( segid " A" and resid 257 and name HN )) 4.200 2.200 1.800 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.15622E-02 ppm1 1.782 ppm2 8.840 CV 1 ASSI { 1216} (( segid " A" and resid 256 and name HB2 )) (( segid " A" and resid 256 and name HB1 )) 1.800 0.400 0.400 peak 1216 spectrum 1 weight 0.10000E+01 volume 0.16954E-01 ppm1 1.779 ppm2 2.174 CV 1 ASSI { 1217} (( segid " A" and resid 256 and name HB1 )) (( segid " A" and resid 257 and name HN )) 3.500 1.500 1.500 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.13516E-02 ppm1 2.173 ppm2 8.848 CV 1 ASSI { 1218} (( segid " A" and resid 255 and name HB )) (( segid " A" and resid 256 and name HN )) 4.000 2.000 2.000 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.14407E-02 ppm1 1.227 ppm2 8.790 CV 1 ASSI { 1219} (( segid " A" and resid 254 and name HA )) (( segid " A" and resid 255 and name HN )) 2.400 0.700 0.700 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.70253E-02 ppm1 5.770 ppm2 8.729 CV 1 ASSI { 1220} (( segid " A" and resid 254 and name HB1 )) (( segid " A" and resid 255 and name HN )) 3.100 1.200 1.200 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.19267E-02 ppm1 2.764 ppm2 8.727 CV 1 OR { 1220} (( segid " A" and resid 254 and name HB2 )) (( segid " A" and resid 255 and name HN )) ASSI { 1221} (( segid " A" and resid 253 and name HA2 )) (( segid " A" and resid 254 and name HN )) 2.900 1.100 1.100 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.32667E-02 ppm1 4.081 ppm2 7.808 CV 1 ASSI { 1222} (( segid " A" and resid 253 and name HA1 )) (( segid " A" and resid 254 and name HN )) 2.800 1.000 1.000 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.32293E-02 ppm1 4.056 ppm2 7.805 CV 1 ASSI { 1223} (( segid " A" and resid 251 and name HA1 )) (( segid " A" and resid 252 and name HN )) 3.800 1.800 1.800 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.11494E-02 ppm1 4.295 ppm2 7.140 CV 1 ASSI { 1224} (( segid " A" and resid 251 and name HA2 )) (( segid " A" and resid 252 and name HN )) 4.300 2.300 1.700 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.74656E-03 ppm1 4.197 ppm2 7.144 CV 1 ASSI { 1225} (( segid " A" and resid 250 and name HA )) (( segid " A" and resid 251 and name HN )) 4.200 2.200 1.800 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.80482E-03 ppm1 4.429 ppm2 11.227 CV 1 ASSI { 1226} (( segid " A" and resid 248 and name HA )) (( segid " A" and resid 249 and name HN )) 3.200 1.300 1.300 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.14981E-02 ppm1 4.430 ppm2 8.518 CV 1 ASSI { 1227} (( segid " A" and resid 248 and name HB1 )) (( segid " A" and resid 248 and name HN )) 3.200 1.300 1.300 peak 1227 spectrum 1 weight 0.10000E+01 volume 0.36263E-02 ppm1 1.629 ppm2 7.932 CV 1 ASSI { 1228} (( segid " A" and resid 248 and name HB2 )) (( segid " A" and resid 248 and name HN )) 3.600 1.600 1.600 peak 1228 spectrum 1 weight 0.10000E+01 volume 0.31111E-02 ppm1 1.829 ppm2 7.930 CV 1 ASSI { 1229} (( segid " A" and resid 248 and name HB1 )) (( segid " A" and resid 249 and name HN )) 4.400 2.400 1.600 peak 1229 spectrum 1 weight 0.10000E+01 volume 0.20000E-02 ppm1 1.630 ppm2 8.530 CV 1 ASSI { 1230} (( segid " A" and resid 248 and name HB2 )) (( segid " A" and resid 249 and name HN )) 3.500 1.500 1.500 peak 1230 spectrum 1 weight 0.10000E+01 volume 0.18244E-02 ppm1 1.828 ppm2 8.527 CV 1 ASSI { 1231} (( segid " A" and resid 247 and name HA1 )) (( segid " A" and resid 248 and name HN )) 3.900 1.900 1.900 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.13733E-02 ppm1 3.775 ppm2 7.934 CV 1 ASSI { 1232} (( segid " A" and resid 247 and name HA2 )) (( segid " A" and resid 248 and name HN )) 3.800 1.800 1.800 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.14091E-02 ppm1 4.227 ppm2 7.933 CV 1 ASSI { 1233} (( segid " A" and resid 245 and name HA )) (( segid " A" and resid 246 and name HN )) 3.800 1.800 1.800 peak 1233 spectrum 1 weight 0.10000E+01 volume 0.67165E-03 ppm1 4.217 ppm2 7.650 CV 1 ASSI { 1234} (( segid " A" and resid 245 and name HB )) (( segid " A" and resid 246 and name HN )) 4.500 2.500 1.500 peak 1234 spectrum 1 weight 0.10000E+01 volume 0.11294E-02 ppm1 4.281 ppm2 7.649 CV 1 ASSI { 1235} (( segid " A" and resid 240 and name HB1 )) (( segid " A" and resid 241 and name HN )) 3.500 1.500 1.500 peak 1235 spectrum 1 weight 0.10000E+01 volume 0.11627E-02 ppm1 0.798 ppm2 8.447 CV 1 ASSI { 1236} (( segid " A" and resid 240 and name HB2 )) (( segid " A" and resid 241 and name HN )) 4.300 2.300 1.700 peak 1236 spectrum 1 weight 0.10000E+01 volume 0.13034E-02 ppm1 1.488 ppm2 8.452 CV 1 ASSI { 1237} (( segid " A" and resid 239 and name HA )) (( segid " A" and resid 240 and name HN )) 2.900 1.100 1.100 peak 1237 spectrum 1 weight 0.10000E+01 volume 0.26908E-02 ppm1 4.862 ppm2 8.624 CV 1 ASSI { 1238} (( segid " A" and resid 239 and name HB )) (( segid " A" and resid 240 and name HN )) 4.100 2.100 1.900 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.19167E-02 ppm1 3.950 ppm2 8.626 CV 1 ASSI { 1239} (( segid " A" and resid 236 and name HA )) (( segid " A" and resid 237 and name HN )) 3.700 1.700 1.700 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.11660E-02 ppm1 4.312 ppm2 7.443 CV 1 ASSI { 1240} (( segid " A" and resid 236 and name HB2 )) (( segid " A" and resid 237 and name HN )) 3.700 1.700 1.700 peak 1240 spectrum 1 weight 0.10000E+01 volume 0.30495E-02 ppm1 1.469 ppm2 7.449 CV 1 ASSI { 1241} (( segid " A" and resid 236 and name HB1 )) (( segid " A" and resid 237 and name HN )) 2.800 1.000 1.000 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.41789E-02 ppm1 1.714 ppm2 7.452 CV 1 ASSI { 1242} (( segid " A" and resid 233 and name HA1 )) (( segid " A" and resid 234 and name HN )) 3.900 1.900 1.900 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.66250E-03 ppm1 3.890 ppm2 8.050 CV 1 ASSI { 1243} (( segid " A" and resid 231 and name HA )) (( segid " A" and resid 232 and name HN )) 3.300 1.300 1.300 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.24935E-02 ppm1 3.907 ppm2 6.883 CV 1 ASSI { 1244} ( segid " A" and resid 231 and name HB% ) (( segid " A" and resid 232 and name HN )) 2.900 1.100 1.100 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.58177E-02 ppm1 0.802 ppm2 6.886 CV 1 ASSI { 1245} (( segid " A" and resid 230 and name HB2 )) (( segid " A" and resid 231 and name HN )) 4.300 2.300 1.700 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.14423E-02 ppm1 2.115 ppm2 7.083 CV 1 ASSI { 1246} (( segid " A" and resid 230 and name HB1 )) (( segid " A" and resid 231 and name HN )) 3.300 1.400 1.400 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.12734E-02 ppm1 2.302 ppm2 7.076 CV 1 ASSI { 1249} (( segid " A" and resid 228 and name HA )) (( segid " A" and resid 229 and name HN )) 3.300 1.400 1.400 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.21023E-02 ppm1 3.933 ppm2 8.269 CV 1 ASSI { 1250} (( segid " A" and resid 228 and name HB )) (( segid " A" and resid 229 and name HN )) 2.300 0.600 0.600 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.66100E-02 ppm1 2.093 ppm2 8.268 CV 1 ASSI { 1251} (( segid " A" and resid 227 and name HA )) (( segid " A" and resid 228 and name HN )) 3.500 1.600 1.600 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.16471E-02 ppm1 4.240 ppm2 7.197 CV 1 ASSI { 1252} (( segid " A" and resid 227 and name HB1 )) (( segid " A" and resid 228 and name HN )) 2.900 1.000 1.000 peak 1252 spectrum 1 weight 0.10000E+01 volume 0.52226E-02 ppm1 4.017 ppm2 7.189 CV 1 OR { 1252} (( segid " A" and resid 227 and name HB2 )) (( segid " A" and resid 228 and name HN )) ASSI { 1253} (( segid " A" and resid 226 and name HA )) (( segid " A" and resid 227 and name HN )) 3.400 1.400 1.400 peak 1253 spectrum 1 weight 0.10000E+01 volume 0.17470E-02 ppm1 3.696 ppm2 7.824 CV 1 ASSI { 1254} (( segid " A" and resid 225 and name HA )) (( segid " A" and resid 226 and name HN )) 3.500 1.500 1.500 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.14032E-02 ppm1 3.937 ppm2 8.470 CV 1 ASSI { 1255} (( segid " A" and resid 225 and name HB )) (( segid " A" and resid 226 and name HN )) 2.600 0.900 0.900 peak 1255 spectrum 1 weight 0.10000E+01 volume 0.45867E-02 ppm1 1.882 ppm2 8.473 CV 1 ASSI { 1256} (( segid " A" and resid 224 and name HA )) (( segid " A" and resid 225 and name HN )) 3.800 1.800 1.800 peak 1256 spectrum 1 weight 0.10000E+01 volume 0.11427E-02 ppm1 4.402 ppm2 7.349 CV 1 ASSI { 1257} (( segid " A" and resid 224 and name HB2 )) (( segid " A" and resid 225 and name HN )) 3.200 1.200 1.200 peak 1257 spectrum 1 weight 0.10000E+01 volume 0.19267E-02 ppm1 2.693 ppm2 7.346 CV 1 ASSI { 1258} (( segid " A" and resid 224 and name HB1 )) (( segid " A" and resid 225 and name HN )) 2.800 1.000 1.000 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.39525E-02 ppm1 2.993 ppm2 7.350 CV 1 ASSI { 1259} (( segid " A" and resid 223 and name HB2 )) (( segid " A" and resid 224 and name HN )) 3.600 1.600 1.600 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.20857E-02 ppm1 2.512 ppm2 7.622 CV 1 ASSI { 1260} (( segid " A" and resid 223 and name HB1 )) (( segid " A" and resid 224 and name HN )) 3.400 1.500 1.500 peak 1260 spectrum 1 weight 0.10000E+01 volume 0.25734E-02 ppm1 2.656 ppm2 7.630 CV 1 ASSI { 1261} (( segid " A" and resid 221 and name HB1 )) (( segid " A" and resid 222 and name HN )) 3.000 1.100 1.100 peak 1261 spectrum 1 weight 0.10000E+01 volume 0.33707E-02 ppm1 3.991 ppm2 9.188 CV 1 ASSI { 1262} (( segid " A" and resid 221 and name HB2 )) (( segid " A" and resid 222 and name HN )) 3.200 1.300 1.300 peak 1262 spectrum 1 weight 0.10000E+01 volume 0.34040E-02 ppm1 4.209 ppm2 9.191 CV 1 ASSI { 1263} (( segid " A" and resid 220 and name HB2 )) (( segid " A" and resid 221 and name HN )) 4.300 2.300 1.700 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.18269E-02 ppm1 1.282 ppm2 9.478 CV 1 ASSI { 1264} (( segid " A" and resid 220 and name HB1 )) (( segid " A" and resid 221 and name HN )) 4.000 2.000 2.000 peak 1264 spectrum 1 weight 0.10000E+01 volume 0.12584E-02 ppm1 1.999 ppm2 9.471 CV 1 ASSI { 1265} (( segid " A" and resid 219 and name HB2 )) (( segid " A" and resid 220 and name HN )) 4.200 2.200 1.800 peak 1265 spectrum 1 weight 0.10000E+01 volume 0.12751E-02 ppm1 2.879 ppm2 7.914 CV 1 ASSI { 1266} (( segid " A" and resid 218 and name HA )) (( segid " A" and resid 219 and name HN )) 3.800 1.800 1.800 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.10612E-02 ppm1 3.624 ppm2 10.839 CV 1 ASSI { 1267} (( segid " A" and resid 218 and name HB1 )) (( segid " A" and resid 219 and name HN )) 4.500 2.600 1.500 peak 1267 spectrum 1 weight 0.10000E+01 volume 0.10761E-02 ppm1 1.838 ppm2 10.834 CV 1 ASSI { 1268} (( segid " A" and resid 218 and name HB2 )) (( segid " A" and resid 219 and name HN )) 4.300 2.300 1.700 peak 1268 spectrum 1 weight 0.10000E+01 volume 0.10345E-02 ppm1 1.761 ppm2 10.840 CV 1 ASSI { 1269} (( segid " A" and resid 217 and name HA )) (( segid " A" and resid 218 and name HN )) 2.200 0.600 0.600 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.10687E-01 ppm1 3.899 ppm2 7.933 CV 1 ASSI { 1270} (( segid " A" and resid 217 and name HB1 )) (( segid " A" and resid 218 and name HN )) 3.800 1.900 1.900 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.13816E-02 ppm1 2.840 ppm2 7.925 CV 1 ASSI { 1271} (( segid " A" and resid 217 and name HB2 )) (( segid " A" and resid 218 and name HN )) 4.200 2.200 1.800 peak 1271 spectrum 1 weight 0.10000E+01 volume 0.15855E-02 ppm1 3.092 ppm2 7.925 CV 1 ASSI { 1272} (( segid " A" and resid 216 and name HA )) (( segid " A" and resid 217 and name HN )) 2.600 0.800 0.800 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.44327E-02 ppm1 3.535 ppm2 9.100 CV 1 ASSI { 1273} (( segid " A" and resid 215 and name HA )) (( segid " A" and resid 216 and name HN )) 2.800 1.000 1.000 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.47740E-02 ppm1 3.844 ppm2 8.079 CV 1 ASSI { 1274} (( segid " A" and resid 214 and name HA )) (( segid " A" and resid 215 and name HN )) 2.800 1.000 1.000 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.40898E-02 ppm1 5.095 ppm2 8.292 CV 1 ASSI { 1275} ( segid " A" and resid 214 and name HB% ) (( segid " A" and resid 215 and name HN )) 2.300 0.700 0.700 peak 1275 spectrum 1 weight 0.10000E+01 volume 0.95047E-02 ppm1 1.268 ppm2 8.292 CV 1 ASSI { 1276} (( segid " A" and resid 213 and name HB )) (( segid " A" and resid 214 and name HN )) 3.500 1.600 1.600 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.25035E-02 ppm1 1.247 ppm2 8.988 CV 1 ASSI { 1277} (( segid " A" and resid 212 and name HB2 )) (( segid " A" and resid 213 and name HN )) 4.900 2.900 1.100 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.64668E-03 ppm1 2.517 ppm2 7.683 CV 1 ASSI { 1278} (( segid " A" and resid 212 and name HB1 )) (( segid " A" and resid 213 and name HN )) 4.600 2.600 1.400 peak 1278 spectrum 1 weight 0.10000E+01 volume 0.86391E-03 ppm1 2.337 ppm2 7.692 CV 1 ASSI { 1279} (( segid " A" and resid 211 and name HA )) (( segid " A" and resid 212 and name HN )) 2.500 0.800 0.800 peak 1279 spectrum 1 weight 0.10000E+01 volume 0.43528E-02 ppm1 5.080 ppm2 9.169 CV 1 ASSI { 1280} (( segid " A" and resid 211 and name HB )) (( segid " A" and resid 212 and name HN )) 2.600 0.800 0.800 peak 1280 spectrum 1 weight 0.10000E+01 volume 0.42122E-02 ppm1 1.985 ppm2 9.167 CV 1 ASSI { 1281} (( segid " A" and resid 210 and name HA )) (( segid " A" and resid 210 and name HN )) 3.800 1.800 1.800 peak 1281 spectrum 1 weight 0.10000E+01 volume 0.69246E-03 ppm1 5.741 ppm2 8.232 CV 1 ASSI { 1282} (( segid " A" and resid 210 and name HB1 )) (( segid " A" and resid 210 and name HN )) 3.900 1.900 1.900 peak 1282 spectrum 1 weight 0.10000E+01 volume 0.60424E-03 ppm1 1.639 ppm2 8.250 CV 1 ASSI { 1283} (( segid " A" and resid 210 and name HB2 )) (( segid " A" and resid 210 and name HN )) 4.100 2.100 1.900 peak 1283 spectrum 1 weight 0.10000E+01 volume 0.60091E-03 ppm1 1.868 ppm2 8.228 CV 1 ASSI { 1284} (( segid " A" and resid 207 and name HA )) (( segid " A" and resid 208 and name HN )) 3.500 1.500 1.500 peak 1284 spectrum 1 weight 0.10000E+01 volume 0.24935E-02 ppm1 4.120 ppm2 7.705 CV 1 ASSI { 1285} ( segid " A" and resid 207 and name HB% ) (( segid " A" and resid 208 and name HN )) 3.000 1.100 1.100 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.54498E-02 ppm1 1.156 ppm2 7.712 CV 1 ASSI { 1286} (( segid " A" and resid 206 and name HA )) (( segid " A" and resid 207 and name HN )) 3.800 1.800 1.800 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.12934E-02 ppm1 4.198 ppm2 7.309 CV 1 ASSI { 1287} (( segid " A" and resid 206 and name HB2 )) (( segid " A" and resid 207 and name HN )) 3.100 1.200 1.200 peak 1287 spectrum 1 weight 0.10000E+01 volume 0.26675E-02 ppm1 1.997 ppm2 7.302 CV 1 OR { 1287} (( segid " A" and resid 206 and name HB1 )) (( segid " A" and resid 207 and name HN )) ASSI { 1288} (( segid " A" and resid 205 and name HA )) (( segid " A" and resid 206 and name HN )) 2.900 1.100 1.100 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.44327E-02 ppm1 3.869 ppm2 7.482 CV 1 ASSI { 1289} ( segid " A" and resid 205 and name HB% ) (( segid " A" and resid 206 and name HN )) 2.500 0.800 0.800 peak 1289 spectrum 1 weight 0.10000E+01 volume 0.12351E-01 ppm1 1.155 ppm2 7.481 CV 1 ASSI { 1290} (( segid " A" and resid 204 and name HA )) (( segid " A" and resid 205 and name HN )) 3.200 1.300 1.300 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.31294E-02 ppm1 4.059 ppm2 8.224 CV 1 ASSI { 1291} (( segid " A" and resid 203 and name HB2 )) (( segid " A" and resid 204 and name HN )) 2.700 0.900 0.900 peak 1291 spectrum 1 weight 0.10000E+01 volume 0.61273E-02 ppm1 2.188 ppm2 8.482 CV 1 OR { 1291} (( segid " A" and resid 203 and name HB1 )) (( segid " A" and resid 204 and name HN )) ASSI { 1292} ( segid " A" and resid 202 and name HB% ) (( segid " A" and resid 203 and name HN )) 2.500 0.800 0.800 peak 1292 spectrum 1 weight 0.10000E+01 volume 0.10096E-01 ppm1 1.570 ppm2 7.805 CV 1 ASSI { 1293} (( segid " A" and resid 201 and name HA )) (( segid " A" and resid 202 and name HN )) 3.600 1.600 1.600 peak 1293 spectrum 1 weight 0.10000E+01 volume 0.11577E-02 ppm1 3.975 ppm2 8.005 CV 1 ASSI { 1294} (( segid " A" and resid 201 and name HB1 )) (( segid " A" and resid 202 and name HN )) 4.500 2.500 1.500 peak 1294 spectrum 1 weight 0.10000E+01 volume 0.94797E-03 ppm1 1.418 ppm2 8.008 CV 1 ASSI { 1295} (( segid " A" and resid 201 and name HB2 )) (( segid " A" and resid 202 and name HN )) 3.100 1.200 1.200 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.13533E-02 ppm1 2.140 ppm2 7.999 CV 1 ASSI { 1296} (( segid " A" and resid 199 and name HB2 )) (( segid " A" and resid 200 and name HN )) 4.000 2.000 2.000 peak 1296 spectrum 1 weight 0.10000E+01 volume 0.32950E-02 ppm1 2.690 ppm2 7.650 CV 1 ASSI { 1297} (( segid " A" and resid 198 and name HA )) (( segid " A" and resid 199 and name HN )) 3.400 1.500 1.500 peak 1297 spectrum 1 weight 0.10000E+01 volume 0.19642E-02 ppm1 3.555 ppm2 8.644 CV 1 ASSI { 1298} (( segid " A" and resid 198 and name HB )) (( segid " A" and resid 199 and name HN )) 2.700 0.900 0.900 peak 1298 spectrum 1 weight 0.10000E+01 volume 0.40141E-02 ppm1 2.000 ppm2 8.650 CV 1 ASSI { 1299} (( segid " A" and resid 197 and name HA )) (( segid " A" and resid 198 and name HN )) 3.500 1.500 1.500 peak 1299 spectrum 1 weight 0.10000E+01 volume 0.15222E-02 ppm1 3.891 ppm2 7.974 CV 1 ASSI { 1302} (( segid " A" and resid 281 and name HD1 )) (( segid " A" and resid 281 and name HA )) 2.600 0.800 0.800 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.27207E-02 ppm1 3.184 ppm2 5.243 CV 1 ASSI { 1303} (( segid " A" and resid 281 and name HD2 )) (( segid " A" and resid 281 and name HG2 )) 3.400 1.400 1.400 peak 1303 spectrum 1 weight 0.10000E+01 volume 0.19900E-02 ppm1 3.114 ppm2 1.014 CV 1 ASSI { 1304} (( segid " A" and resid 281 and name HD1 )) (( segid " A" and resid 281 and name HG2 )) 2.700 0.900 0.900 peak 1304 spectrum 1 weight 0.10000E+01 volume 0.24869E-02 ppm1 3.182 ppm2 1.021 CV 1 ASSI { 1305} (( segid " A" and resid 281 and name HB2 )) (( segid " A" and resid 281 and name HG2 )) 2.700 0.900 0.900 peak 1305 spectrum 1 weight 0.10000E+01 volume 0.48347E-02 ppm1 1.750 ppm2 1.014 CV 1 OR { 1305} (( segid " A" and resid 281 and name HB1 )) (( segid " A" and resid 281 and name HG2 )) ASSI { 1306} (( segid " A" and resid 281 and name HA )) (( segid " A" and resid 281 and name HG1 )) 3.900 1.900 1.900 peak 1306 spectrum 1 weight 0.10000E+01 volume 0.24403E-02 ppm1 5.252 ppm2 1.534 CV 1 ASSI { 1307} (( segid " A" and resid 281 and name HA )) (( segid " A" and resid 281 and name HG2 )) 2.800 1.000 1.000 peak 1307 spectrum 1 weight 0.10000E+01 volume 0.43795E-02 ppm1 5.248 ppm2 1.013 CV 1 ASSI { 1309} (( segid " A" and resid 252 and name HB2 )) (( segid " A" and resid 251 and name HN )) 5.200 3.400 0.800 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.90885E-03 ppm1 3.016 ppm2 11.234 CV 1 ASSI { 1310} (( segid " A" and resid 249 and name HB1 )) (( segid " A" and resid 251 and name HN )) 5.200 3.400 0.800 peak 1310 spectrum 1 weight 0.10000E+01 volume 0.73740E-03 ppm1 3.278 ppm2 11.234 CV 1 ASSI { 1311} ( segid " A" and resid 240 and name HD2%) (( segid " A" and resid 251 and name HN )) 4.400 2.400 1.600 peak 1311 spectrum 1 weight 0.10000E+01 volume 0.75155E-03 ppm1 0.110 ppm2 11.236 CV 1 ASSI { 1312} (( segid " A" and resid 216 and name HB )) (( segid " A" and resid 251 and name HN )) 4.100 2.100 1.900 peak 1312 spectrum 1 weight 0.10000E+01 volume 0.10445E-02 ppm1 1.293 ppm2 11.225 CV 1 ASSI { 1313} ( segid " A" and resid 240 and name HD1%) (( segid " A" and resid 251 and name HN )) 4.600 2.600 1.400 peak 1313 spectrum 1 weight 0.10000E+01 volume 0.66167E-03 ppm1 -0.050 ppm2 11.228 CV 1 ASSI { 1314} ( segid " A" and resid 216 and name HG1%) (( segid " A" and resid 251 and name HN )) 4.600 2.700 1.400 peak 1314 spectrum 1 weight 0.10000E+01 volume 0.92966E-03 ppm1 0.667 ppm2 11.231 CV 1 ASSI { 1315} (( segid " A" and resid 217 and name HA )) (( segid " A" and resid 219 and name HN )) 4.400 2.400 1.600 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.97377E-03 ppm1 3.897 ppm2 10.840 CV 1 ASSI { 1316} (( segid " A" and resid 218 and name HG1 )) (( segid " A" and resid 219 and name HN )) 2.900 1.100 1.100 peak 1316 spectrum 1 weight 0.10000E+01 volume 0.19758E-02 ppm1 2.189 ppm2 10.841 CV 1 ASSI { 1317} (( segid " A" and resid 218 and name HG2 )) (( segid " A" and resid 219 and name HN )) 3.400 1.400 1.400 peak 1317 spectrum 1 weight 0.10000E+01 volume 0.17420E-02 ppm1 2.074 ppm2 10.846 CV 1 ASSI { 1318} (( segid " A" and resid 164 and name HA )) (( segid " A" and resid 286 and name HN )) 4.000 2.000 2.000 peak 1318 spectrum 1 weight 0.10000E+01 volume 0.10945E-02 ppm1 3.308 ppm2 9.847 CV 1 ASSI { 1319} ( segid " A" and resid 287 and name HG2%) (( segid " A" and resid 286 and name HN )) 2.900 2.900 3.100 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.15197E-02 ppm1 1.087 ppm2 9.837 CV 1 ASSI { 1320} ( segid " A" and resid 205 and name HB% ) (( segid " A" and resid 286 and name HN )) 4.100 2.100 1.900 peak 1320 spectrum 1 weight 0.10000E+01 volume 0.99375E-03 ppm1 1.154 ppm2 9.845 CV 1 ASSI { 1321} (( segid " A" and resid 138 and name HB )) (( segid " A" and resid 139 and name HN )) 4.400 2.400 1.600 peak 1321 spectrum 1 weight 0.10000E+01 volume 0.90469E-03 ppm1 1.644 ppm2 9.541 CV 1 ASSI { 1322} (( segid " A" and resid 159 and name HG2 )) (( segid " A" and resid 139 and name HN )) 4.300 2.300 1.700 peak 1322 spectrum 1 weight 0.10000E+01 volume 0.70078E-03 ppm1 2.025 ppm2 9.538 CV 1 OR { 1322} (( segid " A" and resid 159 and name HG1 )) (( segid " A" and resid 139 and name HN )) ASSI { 1323} (( segid " A" and resid 263 and name HB1 )) (( segid " A" and resid 211 and name HN )) 4.500 2.600 1.500 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.81980E-03 ppm1 3.835 ppm2 9.517 CV 1 ASSI { 1324} (( segid " A" and resid 138 and name HA )) (( segid " A" and resid 139 and name HN )) 2.300 0.700 0.700 peak 1324 spectrum 1 weight 0.10000E+01 volume 0.61939E-02 ppm1 3.764 ppm2 9.528 CV 1 ASSI { 1325} (( segid " A" and resid 160 and name HA )) (( segid " A" and resid 139 and name HN )) 2.600 0.800 0.800 peak 1325 spectrum 1 weight 0.10000E+01 volume 0.38293E-02 ppm1 5.112 ppm2 9.526 CV 1 ASSI { 1326} (( segid " A" and resid 256 and name HA )) (( segid " A" and resid 211 and name HN )) 4.100 2.100 1.900 peak 1326 spectrum 1 weight 0.10000E+01 volume 0.11078E-02 ppm1 5.039 ppm2 9.521 CV 1 ASSI { 1327} (( segid " A" and resid 255 and name HB )) (( segid " A" and resid 211 and name HN )) 4.100 2.100 1.900 peak 1327 spectrum 1 weight 0.10000E+01 volume 0.11411E-02 ppm1 1.225 ppm2 9.511 CV 1 ASSI { 1328} (( segid " A" and resid 210 and name HG2 )) (( segid " A" and resid 211 and name HN )) 3.200 1.300 1.300 peak 1328 spectrum 1 weight 0.10000E+01 volume 0.10478E-02 ppm1 1.722 ppm2 9.507 CV 1 ASSI { 1329} (( segid " A" and resid 210 and name HG1 )) (( segid " A" and resid 211 and name HN )) 3.400 1.500 1.500 peak 1329 spectrum 1 weight 0.10000E+01 volume 0.10395E-02 ppm1 1.473 ppm2 9.507 CV 1 ASSI { 1330} (( segid " A" and resid 138 and name HG11)) (( segid " A" and resid 139 and name HN )) 5.000 3.100 1.000 peak 1330 spectrum 1 weight 0.10000E+01 volume 0.10462E-02 ppm1 0.330 ppm2 9.528 CV 1 ASSI { 1331} (( segid " A" and resid 139 and name HG2 )) (( segid " A" and resid 139 and name HN )) 4.300 2.300 1.700 peak 1331 spectrum 1 weight 0.10000E+01 volume 0.16021E-02 ppm1 1.383 ppm2 9.524 CV 1 ASSI { 1332} (( segid " A" and resid 139 and name HG1 )) (( segid " A" and resid 139 and name HN )) 4.600 2.600 1.400 peak 1332 spectrum 1 weight 0.10000E+01 volume 0.12817E-02 ppm1 1.292 ppm2 9.522 CV 1 ASSI { 1333} ( segid " A" and resid 267 and name HG2%) (( segid " A" and resid 211 and name HN )) 5.300 3.500 0.700 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.71077E-03 ppm1 1.008 ppm2 9.516 CV 1 ASSI { 1334} ( segid " A" and resid 158 and name HG1%) (( segid " A" and resid 139 and name HN )) 4.400 2.400 1.600 peak 1334 spectrum 1 weight 0.10000E+01 volume 0.10578E-02 ppm1 0.132 ppm2 9.529 CV 1 ASSI { 1335} ( segid " A" and resid 138 and name HG2%) (( segid " A" and resid 139 and name HN )) 2.800 1.000 1.000 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.54498E-02 ppm1 0.541 ppm2 9.529 CV 1 ASSI { 1336} ( segid " A" and resid 255 and name HG2%) (( segid " A" and resid 211 and name HN )) 4.300 2.300 1.700 peak 1336 spectrum 1 weight 0.10000E+01 volume 0.12850E-02 ppm1 0.230 ppm2 9.513 CV 1 ASSI { 1337} ( segid " A" and resid 220 and name HD2%) (( segid " A" and resid 221 and name HN )) 4.700 2.800 1.300 peak 1337 spectrum 1 weight 0.10000E+01 volume 0.12967E-02 ppm1 0.931 ppm2 9.481 CV 1 ASSI { 1338} ( segid " A" and resid 216 and name HG1%) (( segid " A" and resid 221 and name HN )) 4.700 2.700 1.300 peak 1338 spectrum 1 weight 0.10000E+01 volume 0.76903E-03 ppm1 0.669 ppm2 9.478 CV 1 ASSI { 1339} ( segid " A" and resid 285 and name HB% ) (( segid " A" and resid 211 and name HN )) 3.800 1.800 1.800 peak 1339 spectrum 1 weight 0.10000E+01 volume 0.96628E-03 ppm1 1.525 ppm2 9.503 CV 1 ASSI { 1340} (( segid " A" and resid 224 and name HB2 )) (( segid " A" and resid 221 and name HN )) 3.100 1.200 1.200 peak 1340 spectrum 1 weight 0.10000E+01 volume 0.19076E-02 ppm1 2.686 ppm2 9.473 CV 1 ASSI { 1341} (( segid " A" and resid 162 and name HB )) (( segid " A" and resid 164 and name HN )) 2.900 1.100 1.100 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.24336E-02 ppm1 2.192 ppm2 9.448 CV 1 ASSI { 1342} (( segid " A" and resid 163 and name HB2 )) (( segid " A" and resid 164 and name HN )) 3.800 1.800 1.800 peak 1342 spectrum 1 weight 0.10000E+01 volume 0.93465E-03 ppm1 2.133 ppm2 9.451 CV 1 ASSI { 1343} (( segid " A" and resid 163 and name HB1 )) (( segid " A" and resid 164 and name HN )) 4.000 2.000 2.000 peak 1343 spectrum 1 weight 0.10000E+01 volume 0.16546E-02 ppm1 1.698 ppm2 9.449 CV 1 ASSI { 1344} ( segid " A" and resid 220 and name HD1%) (( segid " A" and resid 221 and name HN )) 3.600 1.600 1.600 peak 1344 spectrum 1 weight 0.10000E+01 volume 0.57303E-02 ppm1 0.800 ppm2 9.473 CV 1 ASSI { 1345} (( segid " A" and resid 163 and name HA )) (( segid " A" and resid 164 and name HN )) 3.400 1.500 1.500 peak 1345 spectrum 1 weight 0.10000E+01 volume 0.11377E-02 ppm1 4.148 ppm2 9.441 CV 1 ASSI { 1346} ( segid " A" and resid 162 and name HG1%) (( segid " A" and resid 164 and name HN )) 4.000 2.000 2.000 peak 1346 spectrum 1 weight 0.10000E+01 volume 0.42322E-02 ppm1 1.058 ppm2 9.443 CV 1 ASSI { 1347} ( segid " A" and resid 162 and name HG2%) (( segid " A" and resid 164 and name HN )) 2.900 1.000 1.000 peak 1347 spectrum 1 weight 0.10000E+01 volume 0.46741E-02 ppm1 0.761 ppm2 9.443 CV 1 ASSI { 1348} ( segid " A" and resid 165 and name HB% ) (( segid " A" and resid 160 and name HH )) 4.100 2.100 1.900 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.11943E-02 ppm1 0.658 ppm2 9.422 CV 1 OR { 1348} ( segid " A" and resid 165 and name HB% ) (( segid " A" and resid 164 and name HN )) ASSI { 1349} ( segid " A" and resid 286 and name HG2%) (( segid " A" and resid 164 and name HN )) 3.300 1.400 1.400 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.28847E-02 ppm1 0.558 ppm2 9.440 CV 1 ASSI { 1350} (( segid " A" and resid 135 and name HA )) (( segid " A" and resid 160 and name HH )) 5.400 3.600 0.600 peak 1350 spectrum 1 weight 0.10000E+01 volume 0.80232E-03 ppm1 3.894 ppm2 9.398 CV 1 ASSI { 1351} (( segid " A" and resid 166 and name HA )) (( segid " A" and resid 160 and name HH )) 4.400 2.400 1.600 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.86225E-03 ppm1 3.655 ppm2 9.412 CV 1 OR { 1351} (( segid " A" and resid 165 and name HA )) (( segid " A" and resid 160 and name HH )) ASSI { 1352} (( segid " A" and resid 132 and name HB2 )) (( segid " A" and resid 160 and name HH )) 4.400 2.500 1.600 peak 1352 spectrum 1 weight 0.10000E+01 volume 0.16521E-02 ppm1 3.536 ppm2 9.398 CV 1 ASSI { 1353} (( segid " A" and resid 135 and name HB1 )) (( segid " A" and resid 160 and name HH )) 4.400 2.400 1.600 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.12218E-02 ppm1 3.466 ppm2 9.401 CV 1 ASSI { 1354} (( segid " A" and resid 132 and name HB1 )) (( segid " A" and resid 160 and name HH )) 3.100 1.200 1.200 peak 1354 spectrum 1 weight 0.10000E+01 volume 0.14698E-02 ppm1 2.856 ppm2 9.398 CV 1 ASSI { 1355} (( segid " A" and resid 135 and name HB2 )) (( segid " A" and resid 160 and name HH )) 3.200 1.300 1.300 peak 1355 spectrum 1 weight 0.10000E+01 volume 0.11111E-02 ppm1 2.627 ppm2 9.397 CV 1 ASSI { 1356} ( segid " A" and resid 158 and name HG1%) (( segid " A" and resid 160 and name HH )) 4.000 2.000 2.000 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.12817E-02 ppm1 0.130 ppm2 9.396 CV 1 ASSI { 1357} ( segid " A" and resid 114 and name HG1%) (( segid " A" and resid 160 and name HH )) 4.100 2.100 1.900 peak 1357 spectrum 1 weight 0.10000E+01 volume 0.85226E-03 ppm1 0.896 ppm2 9.402 CV 1 ASSI { 1358} ( segid " A" and resid 169 and name HB% ) (( segid " A" and resid 160 and name HH )) 3.000 1.100 1.100 peak 1358 spectrum 1 weight 0.10000E+01 volume 0.19875E-02 ppm1 1.350 ppm2 9.397 CV 1 ASSI { 1359} ( segid " A" and resid 138 and name HD1%) (( segid " A" and resid 160 and name HH )) 4.400 2.400 1.600 peak 1359 spectrum 1 weight 0.10000E+01 volume 0.17653E-02 ppm1 0.772 ppm2 9.397 CV 1 ASSI { 1360} ( segid " A" and resid 240 and name HD1%) (( segid " A" and resid 222 and name HN )) 3.000 1.100 1.100 peak 1360 spectrum 1 weight 0.10000E+01 volume 0.29688E-02 ppm1 -0.053 ppm2 9.186 CV 1 ASSI { 1361} (( segid " A" and resid 274 and name HA )) (( segid " A" and resid 280 and name HN )) 4.100 2.100 1.900 peak 1361 spectrum 1 weight 0.10000E+01 volume 0.13100E-02 ppm1 4.338 ppm2 9.158 CV 1 ASSI { 1362} (( segid " A" and resid 281 and name HA )) (( segid " A" and resid 272 and name HN )) 3.100 1.200 1.200 peak 1362 spectrum 1 weight 0.10000E+01 volume 0.18036E-02 ppm1 5.248 ppm2 9.174 CV 1 ASSI { 1363} (( segid " A" and resid 273 and name HB1 )) (( segid " A" and resid 280 and name HN )) 3.900 1.900 1.900 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.93965E-03 ppm1 3.167 ppm2 9.167 CV 1 OR { 1363} (( segid " A" and resid 281 and name HD1 )) (( segid " A" and resid 272 and name HN )) OR { 1363} (( segid " A" and resid 273 and name HB1 )) (( segid " A" and resid 272 and name HN )) ASSI { 1364} (( segid " A" and resid 282 and name HB )) (( segid " A" and resid 272 and name HN )) 4.400 2.400 1.600 peak 1364 spectrum 1 weight 0.10000E+01 volume 0.11228E-02 ppm1 1.803 ppm2 9.174 CV 1 OR { 1364} (( segid " A" and resid 282 and name HB )) (( segid " A" and resid 212 and name HN )) ASSI { 1365} (( segid " A" and resid 280 and name HG )) (( segid " A" and resid 280 and name HN )) 2.600 0.900 0.900 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.35880E-02 ppm1 2.233 ppm2 9.164 CV 1 ASSI { 1366} ( segid " A" and resid 280 and name HD1%) (( segid " A" and resid 280 and name HN )) 3.300 1.300 1.300 peak 1366 spectrum 1 weight 0.10000E+01 volume 0.44194E-02 ppm1 1.074 ppm2 9.165 CV 1 OR { 1366} (( segid " A" and resid 211 and name HG11)) (( segid " A" and resid 212 and name HN )) ASSI { 1367} ( segid " A" and resid 282 and name HG2%) (( segid " A" and resid 212 and name HN )) 3.300 1.400 1.400 peak 1367 spectrum 1 weight 0.10000E+01 volume 0.27940E-02 ppm1 1.045 ppm2 9.160 CV 1 ASSI { 1368} ( segid " A" and resid 282 and name HG1%) (( segid " A" and resid 272 and name HN )) 3.700 1.700 1.700 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.47873E-02 ppm1 1.010 ppm2 9.167 CV 1 OR { 1368} ( segid " A" and resid 267 and name HG2%) (( segid " A" and resid 212 and name HN )) ASSI { 1370} ( segid " A" and resid 285 and name HB% ) (( segid " A" and resid 212 and name HN )) 4.100 2.100 1.900 peak 1370 spectrum 1 weight 0.10000E+01 volume 0.11178E-02 ppm1 1.525 ppm2 9.169 CV 1 ASSI { 1371} ( segid " A" and resid 211 and name HG2%) (( segid " A" and resid 212 and name HN )) 3.700 1.800 1.800 peak 1371 spectrum 1 weight 0.10000E+01 volume 0.38818E-02 ppm1 0.970 ppm2 9.164 CV 1 ASSI { 1372} ( segid " A" and resid 211 and name HD1%) (( segid " A" and resid 212 and name HN )) 4.200 2.200 1.800 peak 1372 spectrum 1 weight 0.10000E+01 volume 0.19642E-02 ppm1 0.754 ppm2 9.168 CV 1 ASSI { 1373} ( segid " A" and resid 280 and name HD2%) (( segid " A" and resid 280 and name HN )) 3.600 1.600 1.600 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.43129E-02 ppm1 0.866 ppm2 9.146 CV 1 ASSI { 1374} (( segid " A" and resid 157 and name HA )) (( segid " A" and resid 114 and name HN )) 4.000 2.000 2.000 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.13067E-02 ppm1 5.474 ppm2 9.098 CV 1 OR { 1374} (( segid " A" and resid 157 and name HA )) (( segid " A" and resid 156 and name HN )) ASSI { 1375} (( segid " A" and resid 113 and name HA )) (( segid " A" and resid 114 and name HN )) 2.300 0.700 0.700 peak 1375 spectrum 1 weight 0.10000E+01 volume 0.82080E-02 ppm1 5.374 ppm2 9.096 CV 1 ASSI { 1376} (( segid " A" and resid 159 and name HA )) (( segid " A" and resid 114 and name HN )) 4.100 2.100 1.900 peak 1376 spectrum 1 weight 0.10000E+01 volume 0.13117E-02 ppm1 5.016 ppm2 9.096 CV 1 ASSI { 1377} (( segid " A" and resid 117 and name HA1 )) (( segid " A" and resid 117 and name HN )) 3.100 1.200 1.200 peak 1377 spectrum 1 weight 0.10000E+01 volume 0.18885E-02 ppm1 3.534 ppm2 9.107 CV 1 ASSI { 1379} (( segid " A" and resid 226 and name HE1 )) (( segid " A" and resid 236 and name HN )) 4.400 2.400 1.600 peak 1379 spectrum 1 weight 0.10000E+01 volume 0.13666E-02 ppm1 2.872 ppm2 9.108 CV 1 OR { 1379} (( segid " A" and resid 226 and name HE2 )) (( segid " A" and resid 236 and name HN )) OR { 1379} (( segid " A" and resid 226 and name HE2 )) (( segid " A" and resid 235 and name HN )) ASSI { 1380} (( segid " A" and resid 258 and name HG1 )) (( segid " A" and resid 236 and name HN )) 4.300 2.300 1.700 peak 1380 spectrum 1 weight 0.10000E+01 volume 0.70245E-03 ppm1 2.256 ppm2 9.097 CV 1 OR { 1380} (( segid " A" and resid 258 and name HG1 )) (( segid " A" and resid 235 and name HN )) ASSI { 1381} (( segid " A" and resid 258 and name HG2 )) (( segid " A" and resid 236 and name HN )) 3.200 3.200 2.800 peak 1381 spectrum 1 weight 0.10000E+01 volume 0.89887E-03 ppm1 2.138 ppm2 9.123 CV 1 ASSI { 1382} (( segid " A" and resid 234 and name HB1 )) (( segid " A" and resid 235 and name HN )) 3.500 1.500 1.500 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.36454E-02 ppm1 1.780 ppm2 9.112 CV 1 OR { 1382} (( segid " A" and resid 234 and name HB2 )) (( segid " A" and resid 235 and name HN )) ASSI { 1383} (( segid " A" and resid 235 and name HG12)) (( segid " A" and resid 235 and name HN )) 3.800 1.800 1.800 peak 1383 spectrum 1 weight 0.10000E+01 volume 0.22022E-02 ppm1 1.961 ppm2 9.106 CV 1 ASSI { 1384} (( segid " A" and resid 234 and name HD1 )) (( segid " A" and resid 235 and name HN )) 4.000 2.000 2.000 peak 1384 spectrum 1 weight 0.10000E+01 volume 0.27041E-02 ppm1 1.729 ppm2 9.105 CV 1 OR { 1384} (( segid " A" and resid 113 and name HG2 )) (( segid " A" and resid 114 and name HN )) ASSI { 1385} (( segid " A" and resid 113 and name HG1 )) (( segid " A" and resid 114 and name HN )) 4.900 2.900 1.100 peak 1385 spectrum 1 weight 0.10000E+01 volume 0.14698E-02 ppm1 1.392 ppm2 9.099 CV 1 ASSI { 1386} ( segid " A" and resid 220 and name HD2%) (( segid " A" and resid 217 and name HN )) 3.000 1.100 1.100 peak 1386 spectrum 1 weight 0.10000E+01 volume 0.41856E-02 ppm1 0.931 ppm2 9.101 CV 1 ASSI { 1387} ( segid " A" and resid 220 and name HD1%) (( segid " A" and resid 217 and name HN )) 4.200 2.200 1.800 peak 1387 spectrum 1 weight 0.10000E+01 volume 0.10811E-02 ppm1 0.798 ppm2 9.108 CV 1 ASSI { 1388} ( segid " A" and resid 216 and name HG1%) (( segid " A" and resid 217 and name HN )) 3.200 1.300 1.300 peak 1388 spectrum 1 weight 0.10000E+01 volume 0.34748E-02 ppm1 0.668 ppm2 9.101 CV 1 ASSI { 1389} ( segid " A" and resid 116 and name HG1%) (( segid " A" and resid 117 and name HN )) 4.000 2.000 2.000 peak 1389 spectrum 1 weight 0.10000E+01 volume 0.28481E-02 ppm1 0.294 ppm2 9.099 CV 1 ASSI { 1390} ( segid " A" and resid 158 and name HG2%) (( segid " A" and resid 114 and name HN )) 4.600 2.600 1.400 peak 1390 spectrum 1 weight 0.10000E+01 volume 0.14607E-02 ppm1 0.032 ppm2 9.105 CV 1 ASSI { 1391} ( segid " A" and resid 255 and name HG2%) (( segid " A" and resid 236 and name HN )) 3.800 1.800 1.800 peak 1391 spectrum 1 weight 0.10000E+01 volume 0.16163E-02 ppm1 0.230 ppm2 9.108 CV 1 ASSI { 1392} (( segid " A" and resid 155 and name HA )) (( segid " A" and resid 156 and name HN )) 3.100 1.200 1.200 peak 1392 spectrum 1 weight 0.10000E+01 volume 0.21523E-02 ppm1 5.534 ppm2 9.095 CV 1 ASSI { 1393} (( segid " A" and resid 165 and name HA )) (( segid " A" and resid 212 and name HH )) 3.500 1.500 1.500 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.23029E-02 ppm1 3.652 ppm2 9.080 CV 1 ASSI { 1394} (( segid " A" and resid 136 and name HA2 )) (( segid " A" and resid 212 and name HH )) 3.100 1.200 1.200 peak 1394 spectrum 1 weight 0.10000E+01 volume 0.19475E-02 ppm1 4.102 ppm2 9.079 CV 1 ASSI { 1395} (( segid " A" and resid 136 and name HA1 )) (( segid " A" and resid 212 and name HH )) 3.300 1.300 1.300 peak 1395 spectrum 1 weight 0.10000E+01 volume 0.24269E-02 ppm1 3.949 ppm2 9.075 CV 1 ASSI { 1396} (( segid " A" and resid 116 and name HB )) (( segid " A" and resid 117 and name HN )) 3.700 1.700 1.700 peak 1396 spectrum 1 weight 0.10000E+01 volume 0.17187E-02 ppm1 1.567 ppm2 9.095 CV 1 ASSI { 1397} (( segid " A" and resid 220 and name HG )) (( segid " A" and resid 217 and name HN )) 4.500 2.600 1.500 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.80815E-03 ppm1 1.670 ppm2 9.087 CV 1 ASSI { 1398} ( segid " A" and resid 214 and name HB% ) (( segid " A" and resid 212 and name HH )) 2.600 0.800 0.800 peak 1398 spectrum 1 weight 0.10000E+01 volume 0.71585E-02 ppm1 1.269 ppm2 9.075 CV 1 ASSI { 1399} ( segid " A" and resid 216 and name HG2%) (( segid " A" and resid 217 and name HN )) 4.200 2.200 1.800 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.30828E-02 ppm1 0.383 ppm2 9.081 CV 1 ASSI { 1400} ( segid " A" and resid 158 and name HG1%) (( segid " A" and resid 114 and name HN )) 4.000 2.000 2.000 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.13816E-02 ppm1 0.132 ppm2 9.085 CV 1 ASSI { 1401} ( segid " A" and resid 162 and name HG2%) (( segid " A" and resid 212 and name HH )) 3.200 1.300 1.300 peak 1401 spectrum 1 weight 0.10000E+01 volume 0.20183E-02 ppm1 0.761 ppm2 9.086 CV 1 ASSI { 1402} ( segid " A" and resid 165 and name HB% ) (( segid " A" and resid 212 and name HH )) 2.800 1.000 1.000 peak 1402 spectrum 1 weight 0.10000E+01 volume 0.49146E-02 ppm1 0.657 ppm2 9.081 CV 1 ASSI { 1403} ( segid " A" and resid 166 and name HB% ) (( segid " A" and resid 114 and name HN )) 3.100 1.200 1.200 peak 1403 spectrum 1 weight 0.10000E+01 volume 0.11178E-02 ppm1 1.469 ppm2 9.081 CV 1 ASSI { 1404} (( segid " A" and resid 211 and name HB )) (( segid " A" and resid 283 and name HN )) 3.500 1.500 1.500 peak 1404 spectrum 1 weight 0.10000E+01 volume 0.11677E-02 ppm1 1.987 ppm2 9.054 CV 1 ASSI { 1405} ( segid " A" and resid 168 and name HD2%) (( segid " A" and resid 283 and name HN )) 3.100 1.200 1.200 peak 1405 spectrum 1 weight 0.10000E+01 volume 0.36546E-02 ppm1 1.025 ppm2 9.055 CV 1 ASSI { 1406} ( segid " A" and resid 168 and name HD1%) (( segid " A" and resid 283 and name HN )) 3.400 1.400 1.400 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.36829E-02 ppm1 0.909 ppm2 9.050 CV 1 ASSI { 1407} ( segid " A" and resid 282 and name HG2%) (( segid " A" and resid 283 and name HN )) 2.200 0.600 0.600 peak 1407 spectrum 1 weight 0.10000E+01 volume 0.90136E-02 ppm1 1.047 ppm2 9.050 CV 1 ASSI { 1408} ( segid " A" and resid 211 and name HD1%) (( segid " A" and resid 283 and name HN )) 4.600 2.600 1.400 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.94964E-03 ppm1 0.750 ppm2 9.061 CV 1 ASSI { 1409} ( segid " A" and resid 185 and name HG1%) (( segid " A" and resid 186 and name HN )) 3.100 1.200 1.200 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.62879E-02 ppm1 1.004 ppm2 9.025 CV 1 OR { 1409} ( segid " A" and resid 282 and name HG1%) (( segid " A" and resid 283 and name HN )) ASSI { 1410} (( segid " A" and resid 185 and name HB )) (( segid " A" and resid 186 and name HN )) 4.000 2.000 2.000 peak 1410 spectrum 1 weight 0.10000E+01 volume 0.14091E-02 ppm1 1.897 ppm2 8.997 CV 1 ASSI { 1411} ( segid " A" and resid 170 and name HD1%) (( segid " A" and resid 186 and name HN )) 4.000 2.000 2.000 peak 1411 spectrum 1 weight 0.10000E+01 volume 0.16354E-02 ppm1 0.809 ppm2 9.001 CV 1 ASSI { 1412} ( segid " A" and resid 213 and name HG1%) (( segid " A" and resid 214 and name HN )) 3.500 1.500 1.500 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.52625E-02 ppm1 0.384 ppm2 8.986 CV 1 OR { 1412} ( segid " A" and resid 216 and name HG2%) (( segid " A" and resid 214 and name HN )) ASSI { 1413} ( segid " A" and resid 213 and name HG2%) (( segid " A" and resid 214 and name HN )) 3.400 1.400 1.400 peak 1413 spectrum 1 weight 0.10000E+01 volume 0.53091E-02 ppm1 0.442 ppm2 8.986 CV 1 ASSI { 1414} (( segid " A" and resid 159 and name HB1 )) (( segid " A" and resid 160 and name HN )) 4.500 2.500 1.500 peak 1414 spectrum 1 weight 0.10000E+01 volume 0.11327E-02 ppm1 1.688 ppm2 8.952 CV 1 ASSI { 1415} (( segid " A" and resid 112 and name HB1 )) (( segid " A" and resid 160 and name HN )) 3.400 1.500 1.500 peak 1415 spectrum 1 weight 0.10000E+01 volume 0.11827E-02 ppm1 3.585 ppm2 8.953 CV 1 ASSI { 1416} (( segid " A" and resid 112 and name HA )) (( segid " A" and resid 160 and name HN )) 3.800 1.800 1.800 peak 1416 spectrum 1 weight 0.10000E+01 volume 0.81148E-03 ppm1 4.157 ppm2 8.941 CV 1 ASSI { 1417} (( segid " A" and resid 113 and name HA )) (( segid " A" and resid 160 and name HN )) 3.500 1.500 1.500 peak 1417 spectrum 1 weight 0.10000E+01 volume 0.24835E-02 ppm1 5.375 ppm2 8.948 CV 1 ASSI { 1418} (( segid " A" and resid 112 and name HB2 )) (( segid " A" and resid 160 and name HN )) 4.100 2.100 1.900 peak 1418 spectrum 1 weight 0.10000E+01 volume 0.11777E-02 ppm1 3.072 ppm2 8.936 CV 1 ASSI { 1419} (( segid " A" and resid 113 and name HG1 )) (( segid " A" and resid 160 and name HN )) 4.900 3.100 1.100 peak 1419 spectrum 1 weight 0.10000E+01 volume 0.75738E-03 ppm1 1.387 ppm2 8.927 CV 1 ASSI { 1420} ( segid " A" and resid 156 and name HB% ) (( segid " A" and resid 142 and name HN )) 4.000 2.000 2.000 peak 1420 spectrum 1 weight 0.10000E+01 volume 0.16354E-02 ppm1 0.849 ppm2 8.928 CV 1 ASSI { 1421} ( segid " A" and resid 166 and name HB% ) (( segid " A" and resid 160 and name HN )) 3.700 1.700 1.700 peak 1421 spectrum 1 weight 0.10000E+01 volume 0.14890E-02 ppm1 1.465 ppm2 8.941 CV 1 ASSI { 1422} ( segid " A" and resid 141 and name HG2%) (( segid " A" and resid 142 and name HN )) 2.600 0.800 0.800 peak 1422 spectrum 1 weight 0.10000E+01 volume 0.60424E-02 ppm1 0.600 ppm2 8.920 CV 1 ASSI { 1423} (( segid " A" and resid 127 and name HB )) (( segid " A" and resid 129 and name HN )) 4.600 2.700 1.400 peak 1423 spectrum 1 weight 0.10000E+01 volume 0.94381E-03 ppm1 4.178 ppm2 8.901 CV 1 OR { 1423} (( segid " A" and resid 127 and name HB )) (( segid " A" and resid 125 and name HN )) ASSI { 1424} (( segid " A" and resid 128 and name HA )) (( segid " A" and resid 129 and name HN )) 3.800 1.800 1.800 peak 1424 spectrum 1 weight 0.10000E+01 volume 0.93549E-03 ppm1 3.731 ppm2 8.892 CV 1 ASSI { 1426} (( segid " A" and resid 157 and name HA )) (( segid " A" and resid 158 and name HN )) 2.300 0.600 0.600 peak 1426 spectrum 1 weight 0.10000E+01 volume 0.95713E-02 ppm1 5.467 ppm2 8.899 CV 1 ASSI { 1427} (( segid " A" and resid 124 and name HA1 )) (( segid " A" and resid 125 and name HN )) 3.700 1.700 1.700 peak 1427 spectrum 1 weight 0.10000E+01 volume 0.13400E-02 ppm1 3.925 ppm2 8.905 CV 1 ASSI { 1428} (( segid " A" and resid 129 and name HD1 )) (( segid " A" and resid 129 and name HN )) 4.800 2.800 1.200 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.11094E-02 ppm1 3.163 ppm2 8.917 CV 1 ASSI { 1429} (( segid " A" and resid 157 and name HB1 )) (( segid " A" and resid 158 and name HN )) 3.300 1.400 1.400 peak 1429 spectrum 1 weight 0.10000E+01 volume 0.21123E-02 ppm1 2.931 ppm2 8.912 CV 1 ASSI { 1430} (( segid " A" and resid 157 and name HB2 )) (( segid " A" and resid 158 and name HN )) 4.100 2.100 1.900 peak 1430 spectrum 1 weight 0.10000E+01 volume 0.21989E-02 ppm1 2.741 ppm2 8.911 CV 1 ASSI { 1431} (( segid " A" and resid 141 and name HB )) (( segid " A" and resid 142 and name HN )) 4.200 2.200 1.800 peak 1431 spectrum 1 weight 0.10000E+01 volume 0.12534E-02 ppm1 1.633 ppm2 8.915 CV 1 ASSI { 1432} (( segid " A" and resid 128 and name HB )) (( segid " A" and resid 129 and name HN )) 2.600 0.800 0.800 peak 1432 spectrum 1 weight 0.10000E+01 volume 0.39475E-02 ppm1 2.013 ppm2 8.911 CV 1 ASSI { 1433} (( segid " A" and resid 125 and name HB2 )) (( segid " A" and resid 125 and name HN )) 3.500 1.600 1.600 peak 1433 spectrum 1 weight 0.10000E+01 volume 0.96628E-03 ppm1 2.155 ppm2 8.897 CV 1 ASSI { 1434} (( segid " A" and resid 129 and name HB2 )) (( segid " A" and resid 129 and name HN )) 2.600 0.800 0.800 peak 1434 spectrum 1 weight 0.10000E+01 volume 0.49146E-02 ppm1 1.955 ppm2 8.897 CV 1 ASSI { 1435} (( segid " A" and resid 129 and name HB1 )) (( segid " A" and resid 129 and name HN )) 2.700 0.900 0.900 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.36313E-02 ppm1 1.888 ppm2 8.892 CV 1 ASSI { 1436} (( segid " A" and resid 130 and name HB2 )) (( segid " A" and resid 129 and name HN )) 4.600 2.600 1.400 peak 1436 spectrum 1 weight 0.10000E+01 volume 0.13067E-02 ppm1 2.178 ppm2 8.891 CV 1 OR { 1436} (( segid " A" and resid 130 and name HB1 )) (( segid " A" and resid 129 and name HN )) ASSI { 1437} (( segid " A" and resid 128 and name HG12)) (( segid " A" and resid 129 and name HN )) 4.800 2.900 1.200 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.84976E-03 ppm1 1.211 ppm2 8.891 CV 1 OR { 1437} (( segid " A" and resid 128 and name HG11)) (( segid " A" and resid 129 and name HN )) ASSI { 1438} ( segid " A" and resid 127 and name HG2%) (( segid " A" and resid 129 and name HN )) 4.800 2.900 1.200 peak 1438 spectrum 1 weight 0.10000E+01 volume 0.76570E-03 ppm1 1.325 ppm2 8.894 CV 1 OR { 1438} ( segid " A" and resid 127 and name HG2%) (( segid " A" and resid 125 and name HN )) ASSI { 1439} ( segid " A" and resid 116 and name HG1%) (( segid " A" and resid 158 and name HN )) 3.600 1.600 1.600 peak 1439 spectrum 1 weight 0.10000E+01 volume 0.15555E-02 ppm1 0.293 ppm2 8.901 CV 1 ASSI { 1440} ( segid " A" and resid 128 and name HG2%) (( segid " A" and resid 129 and name HN )) 3.400 1.500 1.500 peak 1440 spectrum 1 weight 0.10000E+01 volume 0.43928E-02 ppm1 0.543 ppm2 8.904 CV 1 OR { 1440} ( segid " A" and resid 138 and name HG2%) (( segid " A" and resid 142 and name HN )) OR { 1440} ( segid " A" and resid 138 and name HG2%) (( segid " A" and resid 129 and name HN )) ASSI { 1441} ( segid " A" and resid 141 and name HD1%) (( segid " A" and resid 129 and name HN )) 3.300 1.400 1.400 peak 1441 spectrum 1 weight 0.10000E+01 volume 0.44128E-02 ppm1 0.747 ppm2 8.901 CV 1 OR { 1441} ( segid " A" and resid 141 and name HD1%) (( segid " A" and resid 142 and name HN )) ASSI { 1442} ( segid " A" and resid 128 and name HD1%) (( segid " A" and resid 129 and name HN )) 5.300 3.500 0.700 peak 1442 spectrum 1 weight 0.10000E+01 volume 0.69246E-03 ppm1 0.488 ppm2 8.899 CV 1 ASSI { 1443} ( segid " A" and resid 275 and name HD1%) (( segid " A" and resid 276 and name HN )) 4.200 2.200 1.800 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.10878E-02 ppm1 1.093 ppm2 8.862 CV 1 ASSI { 1444} ( segid " A" and resid 114 and name HG1%) (( segid " A" and resid 158 and name HN )) 3.100 1.200 1.200 peak 1444 spectrum 1 weight 0.10000E+01 volume 0.39900E-02 ppm1 0.898 ppm2 8.889 CV 1 ASSI { 1445} (( segid " A" and resid 257 and name HB2 )) (( segid " A" and resid 257 and name HN )) 3.000 1.200 1.200 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.11144E-02 ppm1 3.590 ppm2 8.840 CV 1 ASSI { 1446} (( segid " A" and resid 214 and name HA )) (( segid " A" and resid 253 and name HN )) 3.700 1.700 1.700 peak 1446 spectrum 1 weight 0.10000E+01 volume 0.19758E-02 ppm1 5.098 ppm2 8.811 CV 1 ASSI { 1447} (( segid " A" and resid 232 and name HB2 )) (( segid " A" and resid 257 and name HH )) 3.300 1.400 1.400 peak 1447 spectrum 1 weight 0.10000E+01 volume 0.16970E-02 ppm1 2.655 ppm2 8.809 CV 1 ASSI { 1448} (( segid " A" and resid 115 and name HB1 )) (( segid " A" and resid 115 and name HN )) 2.900 1.100 1.100 peak 1448 spectrum 1 weight 0.10000E+01 volume 0.25801E-02 ppm1 2.465 ppm2 8.825 CV 1 ASSI { 1449} (( segid " A" and resid 115 and name HB2 )) (( segid " A" and resid 115 and name HN )) 3.100 1.200 1.200 peak 1449 spectrum 1 weight 0.10000E+01 volume 0.21190E-02 ppm1 2.388 ppm2 8.827 CV 1 ASSI { 1450} (( segid " A" and resid 114 and name HB )) (( segid " A" and resid 115 and name HN )) 3.900 1.900 1.900 peak 1450 spectrum 1 weight 0.10000E+01 volume 0.44602E-02 ppm1 2.092 ppm2 8.828 CV 1 ASSI { 1451} (( segid " A" and resid 213 and name HB )) (( segid " A" and resid 253 and name HN )) 4.100 2.100 1.900 peak 1451 spectrum 1 weight 0.10000E+01 volume 0.16779E-02 ppm1 1.245 ppm2 8.812 CV 1 ASSI { 1452} ( segid " A" and resid 170 and name HD1%) (( segid " A" and resid 115 and name HN )) 4.800 2.900 1.200 peak 1452 spectrum 1 weight 0.10000E+01 volume 0.13533E-02 ppm1 0.805 ppm2 8.820 CV 1 ASSI { 1453} ( segid " A" and resid 114 and name HG2%) (( segid " A" and resid 115 and name HN )) 3.000 1.100 1.100 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.50353E-02 ppm1 0.929 ppm2 8.829 CV 1 ASSI { 1454} ( segid " A" and resid 214 and name HB% ) (( segid " A" and resid 253 and name HN )) 4.400 2.500 1.600 peak 1454 spectrum 1 weight 0.10000E+01 volume 0.17203E-02 ppm1 1.265 ppm2 8.805 CV 1 ASSI { 1455} ( segid " A" and resid 216 and name HG2%) (( segid " A" and resid 253 and name HN )) 3.300 1.300 1.300 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.37536E-02 ppm1 0.382 ppm2 8.804 CV 1 OR { 1455} ( segid " A" and resid 213 and name HG1%) (( segid " A" and resid 253 and name HN )) ASSI { 1456} ( segid " A" and resid 240 and name HD2%) (( segid " A" and resid 253 and name HN )) 3.800 1.800 1.800 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.23196E-02 ppm1 0.109 ppm2 8.813 CV 1 ASSI { 1457} ( segid " A" and resid 213 and name HG2%) (( segid " A" and resid 253 and name HN )) 3.000 1.100 1.100 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.33516E-02 ppm1 0.441 ppm2 8.808 CV 1 ASSI { 1458} ( segid " A" and resid 162 and name HG2%) (( segid " A" and resid 253 and name HN )) 4.900 3.000 1.100 peak 1458 spectrum 1 weight 0.10000E+01 volume 0.77818E-03 ppm1 0.764 ppm2 8.821 CV 1 ASSI { 1459} (( segid " A" and resid 232 and name HB1 )) (( segid " A" and resid 257 and name HH )) 4.600 2.700 1.400 peak 1459 spectrum 1 weight 0.10000E+01 volume 0.11211E-02 ppm1 3.476 ppm2 8.796 CV 1 ASSI { 1460} (( segid " A" and resid 236 and name HB2 )) (( segid " A" and resid 256 and name HN )) 4.700 2.700 1.300 peak 1460 spectrum 1 weight 0.10000E+01 volume 0.99624E-03 ppm1 1.470 ppm2 8.779 CV 1 ASSI { 1461} (( segid " A" and resid 236 and name HB1 )) (( segid " A" and resid 256 and name HN )) 4.200 2.200 1.800 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.94131E-03 ppm1 1.707 ppm2 8.787 CV 1 OR { 1461} (( segid " A" and resid 236 and name HB1 )) (( segid " A" and resid 259 and name HN )) ASSI { 1462} (( segid " A" and resid 137 and name HB2 )) (( segid " A" and resid 138 and name HN )) 4.000 2.000 2.000 peak 1462 spectrum 1 weight 0.10000E+01 volume 0.21390E-02 ppm1 2.062 ppm2 8.776 CV 1 ASSI { 1463} (( segid " A" and resid 138 and name HG12)) (( segid " A" and resid 138 and name HN )) 4.000 2.000 2.000 peak 1463 spectrum 1 weight 0.10000E+01 volume 0.17328E-02 ppm1 1.914 ppm2 8.793 CV 1 ASSI { 1464} (( segid " A" and resid 138 and name HG11)) (( segid " A" and resid 138 and name HN )) 2.900 1.000 1.000 peak 1464 spectrum 1 weight 0.10000E+01 volume 0.10312E-02 ppm1 0.323 ppm2 8.786 CV 1 ASSI { 1465} ( segid " A" and resid 228 and name HG2%) (( segid " A" and resid 230 and name HN )) 4.800 2.900 1.200 peak 1465 spectrum 1 weight 0.10000E+01 volume 0.12051E-02 ppm1 0.682 ppm2 8.778 CV 1 OR { 1465} ( segid " A" and resid 228 and name HG2%) (( segid " A" and resid 257 and name HH )) ASSI { 1466} ( segid " A" and resid 266 and name HB% ) (( segid " A" and resid 257 and name HH )) 2.700 0.900 0.900 peak 1466 spectrum 1 weight 0.10000E+01 volume 0.27374E-02 ppm1 1.339 ppm2 8.800 CV 1 ASSI { 1467} ( segid " A" and resid 225 and name HG2%) (( segid " A" and resid 257 and name HH )) 5.100 3.300 0.900 peak 1467 spectrum 1 weight 0.10000E+01 volume 0.87057E-03 ppm1 0.636 ppm2 8.774 CV 1 OR { 1467} ( segid " A" and resid 225 and name HG2%) (( segid " A" and resid 230 and name HN )) OR { 1467} ( segid " A" and resid 225 and name HG2%) (( segid " A" and resid 256 and name HN )) ASSI { 1468} ( segid " A" and resid 235 and name HG2%) (( segid " A" and resid 256 and name HN )) 3.300 1.300 1.300 peak 1468 spectrum 1 weight 0.10000E+01 volume 0.32151E-02 ppm1 0.577 ppm2 8.780 CV 1 ASSI { 1469} ( segid " A" and resid 138 and name HG2%) (( segid " A" and resid 138 and name HN )) 4.000 2.000 2.000 peak 1469 spectrum 1 weight 0.10000E+01 volume 0.28547E-02 ppm1 0.544 ppm2 8.788 CV 1 ASSI { 1470} ( segid " A" and resid 211 and name HD1%) (( segid " A" and resid 257 and name HH )) 3.900 1.900 1.900 peak 1470 spectrum 1 weight 0.10000E+01 volume 0.22696E-02 ppm1 0.753 ppm2 8.781 CV 1 ASSI { 1471} ( segid " A" and resid 235 and name HD1%) (( segid " A" and resid 230 and name HN )) 2.500 0.800 0.800 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.56104E-02 ppm1 0.700 ppm2 8.776 CV 1 OR { 1471} ( segid " A" and resid 235 and name HD1%) (( segid " A" and resid 257 and name HH )) ASSI { 1472} ( segid " A" and resid 138 and name HD1%) (( segid " A" and resid 138 and name HN )) 4.000 2.000 2.000 peak 1472 spectrum 1 weight 0.10000E+01 volume 0.24602E-02 ppm1 0.771 ppm2 8.791 CV 1 ASSI { 1473} (( segid " A" and resid 228 and name HA )) (( segid " A" and resid 230 and name HN )) 3.800 1.800 1.800 peak 1473 spectrum 1 weight 0.10000E+01 volume 0.11793E-02 ppm1 3.931 ppm2 8.753 CV 1 ASSI { 1474} (( segid " A" and resid 226 and name HA )) (( segid " A" and resid 230 and name HN )) 3.900 1.900 1.900 peak 1474 spectrum 1 weight 0.10000E+01 volume 0.13816E-02 ppm1 3.706 ppm2 8.773 CV 1 ASSI { 1475} (( segid " A" and resid 271 and name HA )) (( segid " A" and resid 282 and name HN )) 3.300 1.300 1.300 peak 1475 spectrum 1 weight 0.10000E+01 volume 0.15597E-02 ppm1 4.438 ppm2 8.749 CV 1 ASSI { 1476} (( segid " A" and resid 231 and name HA )) (( segid " A" and resid 230 and name HN )) 5.000 3.100 1.000 peak 1476 spectrum 1 weight 0.10000E+01 volume 0.85059E-03 ppm1 3.910 ppm2 8.768 CV 1 ASSI { 1477} (( segid " A" and resid 281 and name HD1 )) (( segid " A" and resid 282 and name HN )) 4.700 2.700 1.300 peak 1477 spectrum 1 weight 0.10000E+01 volume 0.10345E-02 ppm1 3.183 ppm2 8.747 CV 1 ASSI { 1478} (( segid " A" and resid 257 and name HB2 )) (( segid " A" and resid 259 and name HN )) 4.000 2.000 2.000 peak 1478 spectrum 1 weight 0.10000E+01 volume 0.11843E-02 ppm1 3.586 ppm2 8.763 CV 1 ASSI { 1479} (( segid " A" and resid 271 and name HB2 )) (( segid " A" and resid 282 and name HN )) 4.200 2.200 1.800 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.11244E-02 ppm1 2.964 ppm2 8.753 CV 1 ASSI { 1480} (( segid " A" and resid 256 and name HG2 )) (( segid " A" and resid 256 and name HN )) 4.300 2.300 1.700 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.18835E-02 ppm1 2.145 ppm2 8.770 CV 1 OR { 1480} (( segid " A" and resid 258 and name HG2 )) (( segid " A" and resid 259 and name HN )) ASSI { 1481} (( segid " A" and resid 211 and name HG11)) (( segid " A" and resid 255 and name HN )) 3.500 1.500 1.500 peak 1481 spectrum 1 weight 0.10000E+01 volume 0.10054E-02 ppm1 1.076 ppm2 8.747 CV 1 ASSI { 1482} ( segid " A" and resid 168 and name HD2%) (( segid " A" and resid 282 and name HN )) 3.500 1.500 1.500 peak 1482 spectrum 1 weight 0.10000E+01 volume 0.20116E-02 ppm1 1.024 ppm2 8.754 CV 1 ASSI { 1483} ( segid " A" and resid 168 and name HD1%) (( segid " A" and resid 282 and name HN )) 3.300 1.300 1.300 peak 1483 spectrum 1 weight 0.10000E+01 volume 0.23296E-02 ppm1 0.909 ppm2 8.763 CV 1 ASSI { 1484} ( segid " A" and resid 211 and name HG2%) (( segid " A" and resid 255 and name HN )) 4.700 2.800 1.300 peak 1484 spectrum 1 weight 0.10000E+01 volume 0.10545E-02 ppm1 0.969 ppm2 8.749 CV 1 ASSI { 1485} (( segid " A" and resid 138 and name HA )) (( segid " A" and resid 161 and name HN )) 4.000 2.000 2.000 peak 1485 spectrum 1 weight 0.10000E+01 volume 0.12917E-02 ppm1 3.761 ppm2 8.718 CV 1 ASSI { 1486} (( segid " A" and resid 160 and name HB1 )) (( segid " A" and resid 161 and name HN )) 3.000 1.100 1.100 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.15572E-02 ppm1 3.133 ppm2 8.717 CV 1 ASSI { 1487} (( segid " A" and resid 161 and name HG1 )) (( segid " A" and resid 161 and name HN )) 2.900 1.100 1.100 peak 1487 spectrum 1 weight 0.10000E+01 volume 0.33233E-02 ppm1 2.256 ppm2 8.725 CV 1 OR { 1487} (( segid " A" and resid 161 and name HG2 )) (( segid " A" and resid 161 and name HN )) ASSI { 1488} (( segid " A" and resid 211 and name HG12)) (( segid " A" and resid 255 and name HN )) 3.400 1.500 1.500 peak 1488 spectrum 1 weight 0.10000E+01 volume 0.13566E-02 ppm1 1.265 ppm2 8.735 CV 1 ASSI { 1489} ( segid " A" and resid 165 and name HB% ) (( segid " A" and resid 161 and name HN )) 3.100 3.100 2.900 peak 1489 spectrum 1 weight 0.10000E+01 volume 0.11344E-02 ppm1 0.651 ppm2 8.716 CV 1 ASSI { 1490} (( segid " A" and resid 160 and name HA )) (( segid " A" and resid 161 and name HN )) 2.600 0.800 0.800 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.41456E-02 ppm1 5.111 ppm2 8.706 CV 1 ASSI { 1491} (( segid " A" and resid 160 and name HB2 )) (( segid " A" and resid 161 and name HN )) 4.400 2.400 1.600 peak 1491 spectrum 1 weight 0.10000E+01 volume 0.11444E-02 ppm1 2.768 ppm2 8.711 CV 1 ASSI { 1492} ( segid " A" and resid 162 and name HG2%) (( segid " A" and resid 161 and name HN )) 3.900 1.900 1.900 peak 1492 spectrum 1 weight 0.10000E+01 volume 0.21390E-02 ppm1 0.763 ppm2 8.704 CV 1 ASSI { 1493} (( segid " A" and resid 158 and name HA )) (( segid " A" and resid 159 and name HN )) 2.300 0.600 0.600 peak 1493 spectrum 1 weight 0.10000E+01 volume 0.88555E-02 ppm1 4.091 ppm2 8.661 CV 1 ASSI { 1494} (( segid " A" and resid 129 and name HA )) (( segid " A" and resid 133 and name HN )) 3.900 1.900 1.900 peak 1494 spectrum 1 weight 0.10000E+01 volume 0.10279E-02 ppm1 3.664 ppm2 8.660 CV 1 ASSI { 1495} (( segid " A" and resid 159 and name HB2 )) (( segid " A" and resid 159 and name HN )) 3.100 1.200 1.200 peak 1495 spectrum 1 weight 0.10000E+01 volume 0.28281E-02 ppm1 2.048 ppm2 8.663 CV 1 ASSI { 1496} (( segid " A" and resid 159 and name HB1 )) (( segid " A" and resid 159 and name HN )) 2.900 1.100 1.100 peak 1496 spectrum 1 weight 0.10000E+01 volume 0.24769E-02 ppm1 1.692 ppm2 8.663 CV 1 ASSI { 1497} ( segid " A" and resid 158 and name HG1%) (( segid " A" and resid 159 and name HN )) 2.800 1.000 1.000 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.56371E-02 ppm1 0.133 ppm2 8.661 CV 1 ASSI { 1498} ( segid " A" and resid 158 and name HG2%) (( segid " A" and resid 159 and name HN )) 4.200 2.200 1.800 peak 1498 spectrum 1 weight 0.10000E+01 volume 0.26874E-02 ppm1 0.035 ppm2 8.660 CV 1 ASSI { 1499} ( segid " A" and resid 131 and name HB% ) (( segid " A" and resid 133 and name HN )) 4.600 2.700 1.400 peak 1499 spectrum 1 weight 0.10000E+01 volume 0.13167E-02 ppm1 1.452 ppm2 8.658 CV 1 ASSI { 1500} ( segid " A" and resid 138 and name HG2%) (( segid " A" and resid 159 and name HN )) 3.000 1.100 1.100 peak 1500 spectrum 1 weight 0.10000E+01 volume 0.32101E-02 ppm1 0.542 ppm2 8.666 CV 1 ASSI { 1501} ( segid " A" and resid 138 and name HD1%) (( segid " A" and resid 133 and name HN )) 2.800 1.000 1.000 peak 1501 spectrum 1 weight 0.10000E+01 volume 0.33516E-02 ppm1 0.767 ppm2 8.657 CV 1 OR { 1501} ( segid " A" and resid 141 and name HD1%) (( segid " A" and resid 159 and name HN )) ASSI { 1502} (( segid " A" and resid 197 and name HA )) (( segid " A" and resid 199 and name HN )) 3.800 1.800 1.800 peak 1502 spectrum 1 weight 0.10000E+01 volume 0.15106E-02 ppm1 3.884 ppm2 8.647 CV 1 ASSI { 1503} (( segid " A" and resid 200 and name HA )) (( segid " A" and resid 201 and name HN )) 3.400 1.500 1.500 peak 1503 spectrum 1 weight 0.10000E+01 volume 0.22130E-02 ppm1 4.140 ppm2 8.642 CV 1 ASSI { 1504} (( segid " A" and resid 130 and name HA )) (( segid " A" and resid 133 and name HN )) 3.500 1.600 1.600 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.12634E-02 ppm1 4.036 ppm2 8.654 CV 1 ASSI { 1505} (( segid " A" and resid 202 and name HA )) (( segid " A" and resid 201 and name HN )) 4.600 2.600 1.400 peak 1505 spectrum 1 weight 0.10000E+01 volume 0.11544E-02 ppm1 3.940 ppm2 8.636 CV 1 ASSI { 1506} (( segid " A" and resid 134 and name HD1 )) (( segid " A" and resid 133 and name HN )) 3.200 1.300 1.300 peak 1506 spectrum 1 weight 0.10000E+01 volume 0.23961E-02 ppm1 3.720 ppm2 8.654 CV 1 ASSI { 1507} (( segid " A" and resid 134 and name HD2 )) (( segid " A" and resid 133 and name HN )) 2.700 0.900 0.900 peak 1507 spectrum 1 weight 0.10000E+01 volume 0.23495E-02 ppm1 3.075 ppm2 8.651 CV 1 ASSI { 1508} (( segid " A" and resid 132 and name HB1 )) (( segid " A" and resid 133 and name HN )) 4.300 2.300 1.700 peak 1508 spectrum 1 weight 0.10000E+01 volume 0.77069E-03 ppm1 2.860 ppm2 8.655 CV 1 ASSI { 1509} (( segid " A" and resid 200 and name HB1 )) (( segid " A" and resid 201 and name HN )) 2.500 0.800 0.800 peak 1509 spectrum 1 weight 0.10000E+01 volume 0.34981E-02 ppm1 2.268 ppm2 8.646 CV 1 ASSI { 1510} (( segid " A" and resid 200 and name HB2 )) (( segid " A" and resid 201 and name HN )) 3.700 1.700 1.700 peak 1510 spectrum 1 weight 0.10000E+01 volume 0.43262E-02 ppm1 2.196 ppm2 8.645 CV 1 ASSI { 1511} ( segid " A" and resid 114 and name HG1%) (( segid " A" and resid 185 and name HN )) 5.000 3.100 1.000 peak 1511 spectrum 1 weight 0.10000E+01 volume 0.90136E-03 ppm1 0.901 ppm2 8.627 CV 1 OR { 1511} ( segid " A" and resid 114 and name HG1%) (( segid " A" and resid 133 and name HN )) ASSI { 1512} ( segid " A" and resid 197 and name HG2%) (( segid " A" and resid 201 and name HN )) 3.700 1.700 1.700 peak 1512 spectrum 1 weight 0.10000E+01 volume 0.23329E-02 ppm1 0.880 ppm2 8.647 CV 1 OR { 1512} ( segid " A" and resid 197 and name HG2%) (( segid " A" and resid 199 and name HN )) ASSI { 1513} ( segid " A" and resid 202 and name HB% ) (( segid " A" and resid 201 and name HN )) 3.600 1.600 1.600 peak 1513 spectrum 1 weight 0.10000E+01 volume 0.32859E-02 ppm1 1.571 ppm2 8.643 CV 1 ASSI { 1514} ( segid " A" and resid 141 and name HG2%) (( segid " A" and resid 159 and name HN )) 4.900 2.900 1.100 peak 1514 spectrum 1 weight 0.10000E+01 volume 0.98209E-03 ppm1 0.600 ppm2 8.646 CV 1 ASSI { 1515} ( segid " A" and resid 198 and name HG2%) (( segid " A" and resid 199 and name HN )) 3.400 1.400 1.400 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.39717E-02 ppm1 0.932 ppm2 8.652 CV 1 ASSI { 1516} (( segid " A" and resid 185 and name HA )) (( segid " A" and resid 185 and name HN )) 3.300 1.300 1.300 peak 1516 spectrum 1 weight 0.10000E+01 volume 0.15980E-02 ppm1 5.358 ppm2 8.608 CV 1 ASSI { 1517} (( segid " A" and resid 204 and name HA )) (( segid " A" and resid 201 and name HN )) 5.100 3.300 0.900 peak 1517 spectrum 1 weight 0.10000E+01 volume 0.72159E-03 ppm1 4.066 ppm2 8.617 CV 1 OR { 1517} (( segid " A" and resid 203 and name HA )) (( segid " A" and resid 201 and name HN )) ASSI { 1518} (( segid " A" and resid 222 and name HA )) (( segid " A" and resid 240 and name HN )) 4.800 2.900 1.200 peak 1518 spectrum 1 weight 0.10000E+01 volume 0.94631E-03 ppm1 3.740 ppm2 8.602 CV 1 ASSI { 1519} (( segid " A" and resid 184 and name HA )) (( segid " A" and resid 185 and name HN )) 2.600 0.900 0.900 peak 1519 spectrum 1 weight 0.10000E+01 volume 0.50686E-02 ppm1 4.956 ppm2 8.601 CV 1 ASSI { 1520} (( segid " A" and resid 242 and name HD2 )) (( segid " A" and resid 250 and name HN )) 5.100 3.200 0.900 peak 1520 spectrum 1 weight 0.10000E+01 volume 0.72409E-03 ppm1 3.037 ppm2 8.612 CV 1 ASSI { 1521} (( segid " A" and resid 142 and name HB1 )) (( segid " A" and resid 143 and name HN )) 4.800 2.900 1.200 peak 1521 spectrum 1 weight 0.10000E+01 volume 0.76653E-03 ppm1 2.828 ppm2 8.614 CV 1 ASSI { 1522} (( segid " A" and resid 222 and name HB1 )) (( segid " A" and resid 240 and name HN )) 3.800 1.800 1.800 peak 1522 spectrum 1 weight 0.10000E+01 volume 0.10345E-02 ppm1 2.612 ppm2 8.622 CV 1 OR { 1522} (( segid " A" and resid 222 and name HB2 )) (( segid " A" and resid 240 and name HN )) ASSI { 1523} (( segid " A" and resid 174 and name HB2 )) (( segid " A" and resid 185 and name HN )) 4.100 2.100 1.900 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.98792E-03 ppm1 2.974 ppm2 8.605 CV 1 ASSI { 1524} (( segid " A" and resid 184 and name HB2 )) (( segid " A" and resid 185 and name HN )) 4.300 2.300 1.700 peak 1524 spectrum 1 weight 0.10000E+01 volume 0.19026E-02 ppm1 1.741 ppm2 8.603 CV 1 ASSI { 1525} (( segid " A" and resid 184 and name HB1 )) (( segid " A" and resid 185 and name HN )) 3.900 1.900 1.900 peak 1525 spectrum 1 weight 0.10000E+01 volume 0.19525E-02 ppm1 1.599 ppm2 8.601 CV 1 ASSI { 1526} (( segid " A" and resid 250 and name HB2 )) (( segid " A" and resid 250 and name HN )) 3.000 1.100 1.100 peak 1526 spectrum 1 weight 0.10000E+01 volume 0.16895E-02 ppm1 2.455 ppm2 8.618 CV 1 ASSI { 1527} (( segid " A" and resid 185 and name HB )) (( segid " A" and resid 185 and name HN )) 2.900 1.000 1.000 peak 1527 spectrum 1 weight 0.10000E+01 volume 0.39425E-02 ppm1 1.896 ppm2 8.603 CV 1 ASSI { 1528} (( segid " A" and resid 250 and name HB1 )) (( segid " A" and resid 250 and name HN )) 4.000 2.000 2.000 peak 1528 spectrum 1 weight 0.10000E+01 volume 0.18959E-02 ppm1 1.360 ppm2 8.610 CV 1 ASSI { 1529} (( segid " A" and resid 250 and name HD2 )) (( segid " A" and resid 250 and name HN )) 4.600 2.600 1.400 peak 1529 spectrum 1 weight 0.10000E+01 volume 0.12168E-02 ppm1 1.814 ppm2 8.621 CV 1 ASSI { 1530} ( segid " A" and resid 168 and name HD2%) (( segid " A" and resid 284 and name HN )) 4.800 2.800 1.200 peak 1530 spectrum 1 weight 0.10000E+01 volume 0.10928E-02 ppm1 1.026 ppm2 8.615 CV 1 ASSI { 1531} (( segid " A" and resid 250 and name HG2 )) (( segid " A" and resid 250 and name HN )) 3.800 1.800 1.800 peak 1531 spectrum 1 weight 0.10000E+01 volume 0.19192E-02 ppm1 1.487 ppm2 8.611 CV 1 ASSI { 1532} (( segid " A" and resid 250 and name HG1 )) (( segid " A" and resid 250 and name HN )) 2.600 0.800 0.800 peak 1532 spectrum 1 weight 0.10000E+01 volume 0.23196E-02 ppm1 1.345 ppm2 8.606 CV 1 ASSI { 1533} ( segid " A" and resid 168 and name HD1%) (( segid " A" and resid 284 and name HN )) 4.200 2.200 1.800 peak 1533 spectrum 1 weight 0.10000E+01 volume 0.28106E-02 ppm1 0.909 ppm2 8.606 CV 1 ASSI { 1534} ( segid " A" and resid 282 and name HG2%) (( segid " A" and resid 284 and name HN )) 4.900 3.000 1.100 peak 1534 spectrum 1 weight 0.10000E+01 volume 0.71826E-03 ppm1 1.046 ppm2 8.608 CV 1 ASSI { 1535} ( segid " A" and resid 185 and name HG2%) (( segid " A" and resid 185 and name HN )) 2.800 1.000 1.000 peak 1535 spectrum 1 weight 0.10000E+01 volume 0.59758E-02 ppm1 1.003 ppm2 8.602 CV 1 OR { 1535} ( segid " A" and resid 185 and name HG1%) (( segid " A" and resid 185 and name HN )) ASSI { 1536} ( segid " A" and resid 239 and name HG2%) (( segid " A" and resid 240 and name HN )) 3.100 1.200 1.200 peak 1536 spectrum 1 weight 0.10000E+01 volume 0.54897E-02 ppm1 1.182 ppm2 8.623 CV 1 ASSI { 1537} ( segid " A" and resid 267 and name HG1%) (( segid " A" and resid 284 and name HN )) 3.000 1.200 1.200 peak 1537 spectrum 1 weight 0.10000E+01 volume 0.35172E-02 ppm1 0.966 ppm2 8.607 CV 1 ASSI { 1538} ( segid " A" and resid 241 and name HB% ) (( segid " A" and resid 250 and name HN )) 3.500 1.500 1.500 peak 1538 spectrum 1 weight 0.10000E+01 volume 0.28381E-02 ppm1 0.779 ppm2 8.610 CV 1 ASSI { 1539} (( segid " A" and resid 142 and name HB2 )) (( segid " A" and resid 143 and name HN )) 4.900 3.100 1.100 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.99874E-03 ppm1 2.613 ppm2 8.585 CV 1 ASSI { 1540} (( segid " A" and resid 178 and name HB1 )) (( segid " A" and resid 178 and name HN )) 4.200 2.200 1.800 peak 1540 spectrum 1 weight 0.10000E+01 volume 0.17303E-02 ppm1 1.575 ppm2 8.541 CV 1 ASSI { 1541} (( segid " A" and resid 178 and name HB2 )) (( segid " A" and resid 178 and name HN )) 3.500 1.600 1.600 peak 1541 spectrum 1 weight 0.10000E+01 volume 0.18976E-02 ppm1 1.413 ppm2 8.543 CV 1 ASSI { 1542} (( segid " A" and resid 177 and name HB1 )) (( segid " A" and resid 178 and name HN )) 4.200 2.200 1.800 peak 1542 spectrum 1 weight 0.10000E+01 volume 0.17486E-02 ppm1 1.917 ppm2 8.544 CV 1 ASSI { 1543} (( segid " A" and resid 177 and name HB2 )) (( segid " A" and resid 178 and name HN )) 4.300 2.300 1.700 peak 1543 spectrum 1 weight 0.10000E+01 volume 0.20491E-02 ppm1 1.791 ppm2 8.545 CV 1 ASSI { 1544} (( segid " A" and resid 177 and name HG1 )) (( segid " A" and resid 178 and name HN )) 3.700 1.700 1.700 peak 1544 spectrum 1 weight 0.10000E+01 volume 0.15930E-02 ppm1 2.320 ppm2 8.555 CV 1 ASSI { 1545} (( segid " A" and resid 177 and name HG2 )) (( segid " A" and resid 178 and name HN )) 4.800 2.900 1.200 peak 1545 spectrum 1 weight 0.10000E+01 volume 0.13766E-02 ppm1 2.281 ppm2 8.549 CV 1 ASSI { 1546} ( segid " A" and resid 183 and name HG2%) (( segid " A" and resid 178 and name HN )) 2.800 2.800 3.200 peak 1546 spectrum 1 weight 0.10000E+01 volume 0.21390E-02 ppm1 0.951 ppm2 8.552 CV 1 ASSI { 1547} (( segid " A" and resid 201 and name HA )) (( segid " A" and resid 204 and name HN )) 3.200 1.300 1.300 peak 1547 spectrum 1 weight 0.10000E+01 volume 0.18011E-02 ppm1 3.974 ppm2 8.483 CV 1 ASSI { 1548} (( segid " A" and resid 205 and name HA )) (( segid " A" and resid 204 and name HN )) 5.000 3.100 1.000 peak 1548 spectrum 1 weight 0.10000E+01 volume 0.74073E-03 ppm1 3.866 ppm2 8.501 CV 1 ASSI { 1549} (( segid " A" and resid 223 and name HB2 )) (( segid " A" and resid 226 and name HN )) 4.800 2.900 1.200 peak 1549 spectrum 1 weight 0.10000E+01 volume 0.75987E-03 ppm1 2.519 ppm2 8.482 CV 1 ASSI { 1550} ( segid " A" and resid 201 and name HD2%) (( segid " A" and resid 204 and name HN )) 4.800 2.900 1.200 peak 1550 spectrum 1 weight 0.10000E+01 volume 0.14490E-02 ppm1 0.815 ppm2 8.499 CV 1 ASSI { 1551} ( segid " A" and resid 205 and name HB% ) (( segid " A" and resid 204 and name HN )) 4.300 2.300 1.700 peak 1551 spectrum 1 weight 0.10000E+01 volume 0.19242E-02 ppm1 1.154 ppm2 8.483 CV 1 ASSI { 1552} ( segid " A" and resid 202 and name HB% ) (( segid " A" and resid 204 and name HN )) 4.400 2.500 1.600 peak 1552 spectrum 1 weight 0.10000E+01 volume 0.15622E-02 ppm1 1.570 ppm2 8.484 CV 1 ASSI { 1553} (( segid " A" and resid 227 and name HB1 )) (( segid " A" and resid 226 and name HN )) 4.600 2.700 1.400 peak 1553 spectrum 1 weight 0.10000E+01 volume 0.12967E-02 ppm1 4.011 ppm2 8.465 CV 1 OR { 1553} (( segid " A" and resid 227 and name HB2 )) (( segid " A" and resid 226 and name HN )) ASSI { 1554} (( segid " A" and resid 222 and name HA )) (( segid " A" and resid 226 and name HN )) 3.700 1.700 1.700 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.92051E-03 ppm1 3.740 ppm2 8.468 CV 1 ASSI { 1555} (( segid " A" and resid 223 and name HA )) (( segid " A" and resid 226 and name HN )) 3.600 1.600 1.600 peak 1555 spectrum 1 weight 0.10000E+01 volume 0.17653E-02 ppm1 4.401 ppm2 8.471 CV 1 ASSI { 1556} (( segid " A" and resid 253 and name HA1 )) (( segid " A" and resid 241 and name HN )) 3.800 1.800 1.800 peak 1556 spectrum 1 weight 0.10000E+01 volume 0.15955E-02 ppm1 4.029 ppm2 8.454 CV 1 ASSI { 1557} (( segid " A" and resid 225 and name HG12)) (( segid " A" and resid 226 and name HN )) 4.400 2.500 1.600 peak 1557 spectrum 1 weight 0.10000E+01 volume 0.11660E-02 ppm1 1.507 ppm2 8.473 CV 1 ASSI { 1558} (( segid " A" and resid 225 and name HG11)) (( segid " A" and resid 226 and name HN )) 5.200 3.400 0.800 peak 1558 spectrum 1 weight 0.10000E+01 volume 0.88056E-03 ppm1 1.056 ppm2 8.469 CV 1 ASSI { 1559} ( segid " A" and resid 240 and name HD1%) (( segid " A" and resid 241 and name HN )) 4.500 2.500 1.500 peak 1559 spectrum 1 weight 0.10000E+01 volume 0.15222E-02 ppm1 -0.051 ppm2 8.458 CV 1 ASSI { 1560} ( segid " A" and resid 156 and name HB% ) (( segid " A" and resid 157 and name HN )) 2.500 0.800 0.800 peak 1560 spectrum 1 weight 0.10000E+01 volume 0.61656E-02 ppm1 0.844 ppm2 8.456 CV 1 ASSI { 1561} ( segid " A" and resid 225 and name HG2%) (( segid " A" and resid 226 and name HN )) 3.400 1.400 1.400 peak 1561 spectrum 1 weight 0.10000E+01 volume 0.32476E-02 ppm1 0.638 ppm2 8.472 CV 1 ASSI { 1562} ( segid " A" and resid 225 and name HD1%) (( segid " A" and resid 226 and name HN )) 5.100 3.200 0.900 peak 1562 spectrum 1 weight 0.10000E+01 volume 0.85309E-03 ppm1 0.640 ppm2 8.478 CV 1 ASSI { 1563} (( segid " A" and resid 250 and name HD1 )) (( segid " A" and resid 241 and name HN )) 4.200 2.200 1.800 peak 1563 spectrum 1 weight 0.10000E+01 volume 0.10612E-02 ppm1 1.738 ppm2 8.442 CV 1 ASSI { 1564} (( segid " A" and resid 250 and name HG2 )) (( segid " A" and resid 243 and name HN )) 4.300 2.300 1.700 peak 1564 spectrum 1 weight 0.10000E+01 volume 0.10878E-02 ppm1 1.484 ppm2 8.437 CV 1 OR { 1564} (( segid " A" and resid 250 and name HG2 )) (( segid " A" and resid 241 and name HN )) ASSI { 1565} ( segid " A" and resid 240 and name HD2%) (( segid " A" and resid 241 and name HN )) 3.800 1.800 1.800 peak 1565 spectrum 1 weight 0.10000E+01 volume 0.45867E-02 ppm1 0.108 ppm2 8.448 CV 1 ASSI { 1566} ( segid " A" and resid 158 and name HG2%) (( segid " A" and resid 157 and name HN )) 3.900 1.900 1.900 peak 1566 spectrum 1 weight 0.10000E+01 volume 0.10445E-02 ppm1 0.038 ppm2 8.438 CV 1 ASSI { 1567} ( segid " A" and resid 141 and name HG2%) (( segid " A" and resid 157 and name HN )) 3.600 1.700 1.700 peak 1567 spectrum 1 weight 0.10000E+01 volume 0.14340E-02 ppm1 0.600 ppm2 8.450 CV 1 ASSI { 1568} (( segid " A" and resid 115 and name HB2 )) (( segid " A" and resid 116 and name HN )) 5.000 3.200 1.000 peak 1568 spectrum 1 weight 0.10000E+01 volume 0.81064E-03 ppm1 2.396 ppm2 8.377 CV 1 ASSI { 1569} (( segid " A" and resid 116 and name HB )) (( segid " A" and resid 116 and name HN )) 3.600 1.600 1.600 peak 1569 spectrum 1 weight 0.10000E+01 volume 0.21423E-02 ppm1 1.565 ppm2 8.388 CV 1 ASSI { 1570} ( segid " A" and resid 116 and name HG1%) (( segid " A" and resid 116 and name HN )) 3.100 1.200 1.200 peak 1570 spectrum 1 weight 0.10000E+01 volume 0.37819E-02 ppm1 0.294 ppm2 8.385 CV 1 ASSI { 1571} (( segid " A" and resid 183 and name HB )) (( segid " A" and resid 183 and name HN )) 4.000 2.000 2.000 peak 1571 spectrum 1 weight 0.10000E+01 volume 0.14457E-02 ppm1 2.015 ppm2 8.346 CV 1 ASSI { 1572} ( segid " A" and resid 280 and name HD1%) (( segid " A" and resid 275 and name HN )) 4.600 2.700 1.400 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.81980E-03 ppm1 1.074 ppm2 8.356 CV 1 ASSI { 1573} (( segid " A" and resid 183 and name HG12)) (( segid " A" and resid 183 and name HN )) 2.700 0.900 0.900 peak 1573 spectrum 1 weight 0.10000E+01 volume 0.34656E-02 ppm1 1.504 ppm2 8.340 CV 1 OR { 1573} (( segid " A" and resid 183 and name HG11)) (( segid " A" and resid 183 and name HN )) ASSI { 1574} ( segid " A" and resid 148 and name HG1%) (( segid " A" and resid 148 and name HN )) 3.900 1.900 1.900 peak 1574 spectrum 1 weight 0.10000E+01 volume 0.18202E-02 ppm1 0.969 ppm2 8.335 CV 1 ASSI { 1575} ( segid " A" and resid 183 and name HG2%) (( segid " A" and resid 183 and name HN )) 2.500 0.800 0.800 peak 1575 spectrum 1 weight 0.10000E+01 volume 0.57977E-02 ppm1 0.949 ppm2 8.344 CV 1 ASSI { 1576} ( segid " A" and resid 183 and name HD1%) (( segid " A" and resid 183 and name HN )) 4.400 2.400 1.600 peak 1576 spectrum 1 weight 0.10000E+01 volume 0.25435E-02 ppm1 0.872 ppm2 8.345 CV 1 ASSI { 1577} (( segid " A" and resid 224 and name HB1 )) (( segid " A" and resid 223 and name HN )) 4.700 2.700 1.300 peak 1577 spectrum 1 weight 0.10000E+01 volume 0.91468E-03 ppm1 3.010 ppm2 8.306 CV 1 ASSI { 1579} (( segid " A" and resid 252 and name HA )) (( segid " A" and resid 215 and name HN )) 4.300 2.300 1.700 peak 1579 spectrum 1 weight 0.10000E+01 volume 0.10562E-02 ppm1 5.623 ppm2 8.282 CV 1 ASSI { 1580} (( segid " A" and resid 257 and name HB1 )) (( segid " A" and resid 258 and name HN )) 3.000 1.100 1.100 peak 1580 spectrum 1 weight 0.10000E+01 volume 0.10495E-02 ppm1 2.759 ppm2 8.281 CV 1 ASSI { 1581} ( segid " A" and resid 127 and name HG2%) (( segid " A" and resid 124 and name HN )) 4.900 3.000 1.100 peak 1581 spectrum 1 weight 0.10000E+01 volume 0.71576E-03 ppm1 1.320 ppm2 8.282 CV 1 ASSI { 1583} ( segid " A" and resid 216 and name HG2%) (( segid " A" and resid 215 and name HN )) 3.800 1.800 1.800 peak 1583 spectrum 1 weight 0.10000E+01 volume 0.27507E-02 ppm1 0.382 ppm2 8.287 CV 1 ASSI { 1584} (( segid " A" and resid 176 and name HA )) (( segid " A" and resid 177 and name HN )) 2.400 0.700 0.700 peak 1584 spectrum 1 weight 0.10000E+01 volume 0.97877E-02 ppm1 4.056 ppm2 8.270 CV 1 ASSI { 1585} (( segid " A" and resid 226 and name HA )) (( segid " A" and resid 229 and name HN )) 4.000 2.000 2.000 peak 1585 spectrum 1 weight 0.10000E+01 volume 0.78235E-03 ppm1 3.705 ppm2 8.251 CV 1 ASSI { 1586} (( segid " A" and resid 257 and name HB2 )) (( segid " A" and resid 258 and name HN )) 4.200 2.200 1.800 peak 1586 spectrum 1 weight 0.10000E+01 volume 0.93965E-03 ppm1 3.579 ppm2 8.268 CV 1 ASSI { 1587} (( segid " A" and resid 258 and name HG1 )) (( segid " A" and resid 258 and name HN )) 2.500 0.800 0.800 peak 1587 spectrum 1 weight 0.10000E+01 volume 0.31435E-02 ppm1 2.238 ppm2 8.268 CV 1 ASSI { 1588} (( segid " A" and resid 258 and name HG2 )) (( segid " A" and resid 258 and name HN )) 3.600 1.600 1.600 peak 1588 spectrum 1 weight 0.10000E+01 volume 0.29405E-02 ppm1 2.137 ppm2 8.273 CV 1 ASSI { 1589} (( segid " A" and resid 177 and name HB1 )) (( segid " A" and resid 177 and name HN )) 2.500 0.800 0.800 peak 1589 spectrum 1 weight 0.10000E+01 volume 0.41456E-02 ppm1 1.919 ppm2 8.271 CV 1 ASSI { 1590} (( segid " A" and resid 177 and name HB2 )) (( segid " A" and resid 177 and name HN )) 3.000 1.100 1.100 peak 1590 spectrum 1 weight 0.10000E+01 volume 0.43728E-02 ppm1 1.788 ppm2 8.272 CV 1 ASSI { 1591} (( segid " A" and resid 177 and name HG1 )) (( segid " A" and resid 177 and name HN )) 3.900 1.900 1.900 peak 1591 spectrum 1 weight 0.10000E+01 volume 0.17653E-02 ppm1 2.317 ppm2 8.274 CV 1 ASSI { 1592} (( segid " A" and resid 177 and name HG2 )) (( segid " A" and resid 177 and name HN )) 4.300 2.300 1.700 peak 1592 spectrum 1 weight 0.10000E+01 volume 0.21090E-02 ppm1 2.277 ppm2 8.272 CV 1 ASSI { 1593} (( segid " A" and resid 203 and name HB2 )) (( segid " A" and resid 205 and name HN )) 4.400 2.400 1.600 peak 1593 spectrum 1 weight 0.10000E+01 volume 0.14107E-02 ppm1 2.181 ppm2 8.249 CV 1 OR { 1593} (( segid " A" and resid 203 and name HB1 )) (( segid " A" and resid 205 and name HN )) ASSI { 1594} ( segid " A" and resid 176 and name HG1%) (( segid " A" and resid 177 and name HN )) 3.600 1.600 1.600 peak 1594 spectrum 1 weight 0.10000E+01 volume 0.50353E-02 ppm1 1.055 ppm2 8.271 CV 1 OR { 1594} ( segid " A" and resid 228 and name HG1%) (( segid " A" and resid 229 and name HN )) ASSI { 1595} ( segid " A" and resid 228 and name HG2%) (( segid " A" and resid 229 and name HN )) 3.800 1.800 1.800 peak 1595 spectrum 1 weight 0.10000E+01 volume 0.36737E-02 ppm1 0.679 ppm2 8.271 CV 1 ASSI { 1596} ( segid " A" and resid 176 and name HG2%) (( segid " A" and resid 177 and name HN )) 3.400 1.500 1.500 peak 1596 spectrum 1 weight 0.10000E+01 volume 0.51352E-02 ppm1 0.897 ppm2 8.275 CV 1 ASSI { 1597} ( segid " A" and resid 225 and name HG2%) (( segid " A" and resid 229 and name HN )) 3.700 1.700 1.700 peak 1597 spectrum 1 weight 0.10000E+01 volume 0.16021E-02 ppm1 0.637 ppm2 8.271 CV 1 ASSI { 1598} ( segid " A" and resid 255 and name HG2%) (( segid " A" and resid 229 and name HN )) 5.000 3.200 1.000 peak 1598 spectrum 1 weight 0.10000E+01 volume 0.98542E-03 ppm1 0.227 ppm2 8.264 CV 1 OR { 1598} ( segid " A" and resid 255 and name HG2%) (( segid " A" and resid 258 and name HN )) ASSI { 1599} ( segid " A" and resid 235 and name HD1%) (( segid " A" and resid 229 and name HN )) 3.800 1.800 1.800 peak 1599 spectrum 1 weight 0.10000E+01 volume 0.20424E-02 ppm1 0.700 ppm2 8.269 CV 1 ASSI { 1600} ( segid " A" and resid 255 and name HD1%) (( segid " A" and resid 229 and name HN )) 2.900 2.900 3.100 peak 1600 spectrum 1 weight 0.10000E+01 volume 0.17137E-02 ppm1 -0.131 ppm2 8.269 CV 1 ASSI { 1601} ( segid " A" and resid 225 and name HD1%) (( segid " A" and resid 229 and name HN )) 5.000 3.100 1.000 peak 1601 spectrum 1 weight 0.10000E+01 volume 0.67082E-03 ppm1 0.633 ppm2 8.262 CV 1 ASSI { 1602} (( segid " A" and resid 204 and name HG1 )) (( segid " A" and resid 205 and name HN )) 4.600 2.600 1.400 peak 1602 spectrum 1 weight 0.10000E+01 volume 0.11910E-02 ppm1 2.308 ppm2 8.222 CV 1 ASSI { 1603} ( segid " A" and resid 201 and name HD2%) (( segid " A" and resid 205 and name HN )) 5.100 3.300 0.900 peak 1603 spectrum 1 weight 0.10000E+01 volume 0.78318E-03 ppm1 0.815 ppm2 8.240 CV 1 ASSI { 1604} ( segid " A" and resid 266 and name HB% ) (( segid " A" and resid 265 and name HN )) 4.400 2.400 1.600 peak 1604 spectrum 1 weight 0.10000E+01 volume 0.14723E-02 ppm1 1.338 ppm2 8.217 CV 1 ASSI { 1605} ( segid " A" and resid 202 and name HB% ) (( segid " A" and resid 205 and name HN )) 4.300 2.300 1.700 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.14582E-02 ppm1 1.572 ppm2 8.226 CV 1 ASSI { 1606} ( segid " A" and resid 141 and name HG2%) (( segid " A" and resid 141 and name HN )) 4.400 2.400 1.600 peak 1606 spectrum 1 weight 0.10000E+01 volume 0.14507E-02 ppm1 0.602 ppm2 8.218 CV 1 ASSI { 1607} (( segid " A" and resid 140 and name HB1 )) (( segid " A" and resid 141 and name HN )) 3.600 1.600 1.600 peak 1607 spectrum 1 weight 0.10000E+01 volume 0.27074E-02 ppm1 3.764 ppm2 8.205 CV 1 ASSI { 1608} (( segid " A" and resid 140 and name HB2 )) (( segid " A" and resid 141 and name HN )) 3.600 1.600 1.600 peak 1608 spectrum 1 weight 0.10000E+01 volume 0.34839E-02 ppm1 3.686 ppm2 8.203 CV 1 ASSI { 1609} (( segid " A" and resid 202 and name HA )) (( segid " A" and resid 205 and name HN )) 3.000 1.100 1.100 peak 1609 spectrum 1 weight 0.10000E+01 volume 0.37960E-02 ppm1 3.939 ppm2 8.214 CV 1 ASSI { 1610} (( segid " A" and resid 110 and name HB )) (( segid " A" and resid 111 and name HN )) 2.700 0.900 0.900 peak 1610 spectrum 1 weight 0.10000E+01 volume 0.38676E-02 ppm1 1.882 ppm2 8.199 CV 1 ASSI { 1611} (( segid " A" and resid 111 and name HB2 )) (( segid " A" and resid 111 and name HN )) 2.800 1.000 1.000 peak 1611 spectrum 1 weight 0.10000E+01 volume 0.34182E-02 ppm1 2.290 ppm2 8.190 CV 1 OR { 1611} (( segid " A" and resid 111 and name HB1 )) (( segid " A" and resid 111 and name HN )) ASSI { 1612} ( segid " A" and resid 110 and name HG2%) (( segid " A" and resid 111 and name HN )) 3.500 1.600 1.600 peak 1612 spectrum 1 weight 0.10000E+01 volume 0.31394E-02 ppm1 0.845 ppm2 8.200 CV 1 ASSI { 1613} ( segid " A" and resid 110 and name HD1%) (( segid " A" and resid 111 and name HN )) 4.100 2.100 1.900 peak 1613 spectrum 1 weight 0.10000E+01 volume 0.23662E-02 ppm1 0.736 ppm2 8.199 CV 1 OR { 1613} ( segid " A" and resid 141 and name HD1%) (( segid " A" and resid 141 and name HN )) OR { 1613} ( segid " A" and resid 198 and name HD1%) (( segid " A" and resid 111 and name HN )) ASSI { 1614} (( segid " A" and resid 109 and name HA )) (( segid " A" and resid 111 and name HN )) 4.200 2.200 1.800 peak 1614 spectrum 1 weight 0.10000E+01 volume 0.92716E-03 ppm1 4.106 ppm2 8.174 CV 1 ASSI { 1615} (( segid " A" and resid 170 and name HB1 )) (( segid " A" and resid 172 and name HN )) 4.500 2.600 1.500 peak 1615 spectrum 1 weight 0.10000E+01 volume 0.92966E-03 ppm1 1.574 ppm2 8.158 CV 1 ASSI { 1616} (( segid " A" and resid 171 and name HG2 )) (( segid " A" and resid 172 and name HN )) 4.700 2.800 1.300 peak 1616 spectrum 1 weight 0.10000E+01 volume 0.11144E-02 ppm1 2.658 ppm2 8.175 CV 1 ASSI { 1617} ( segid " A" and resid 201 and name HD1%) (( segid " A" and resid 108 and name HN )) 4.600 2.600 1.400 peak 1617 spectrum 1 weight 0.10000E+01 volume 0.84726E-03 ppm1 0.793 ppm2 8.168 CV 1 ASSI { 1618} ( segid " A" and resid 107 and name HB% ) (( segid " A" and resid 108 and name HN )) 2.600 0.800 0.800 peak 1618 spectrum 1 weight 0.10000E+01 volume 0.53491E-02 ppm1 1.484 ppm2 8.159 CV 1 ASSI { 1619} (( segid " A" and resid 171 and name HB1 )) (( segid " A" and resid 172 and name HN )) 3.400 1.500 1.500 peak 1619 spectrum 1 weight 0.10000E+01 volume 0.15714E-02 ppm1 2.177 ppm2 8.146 CV 1 ASSI { 1620} (( segid " A" and resid 119 and name HG11)) (( segid " A" and resid 119 and name HN )) 3.300 1.400 1.400 peak 1620 spectrum 1 weight 0.10000E+01 volume 0.98459E-03 ppm1 1.220 ppm2 8.139 CV 1 ASSI { 1621} ( segid " A" and resid 272 and name HD2%) (( segid " A" and resid 279 and name HN )) 4.700 2.700 1.300 peak 1621 spectrum 1 weight 0.10000E+01 volume 0.14632E-02 ppm1 0.715 ppm2 8.144 CV 1 OR { 1621} ( segid " A" and resid 116 and name HG2%) (( segid " A" and resid 119 and name HN )) ASSI { 1622} ( segid " A" and resid 197 and name HG2%) (( segid " A" and resid 108 and name HN )) 4.400 2.500 1.600 peak 1622 spectrum 1 weight 0.10000E+01 volume 0.86474E-03 ppm1 0.881 ppm2 8.151 CV 1 ASSI { 1623} ( segid " A" and resid 255 and name HG2%) (( segid " A" and resid 239 and name HN )) 3.100 3.100 2.900 peak 1623 spectrum 1 weight 0.10000E+01 volume 0.10545E-02 ppm1 0.230 ppm2 8.147 CV 1 ASSI { 1624} (( segid " A" and resid 169 and name HA )) (( segid " A" and resid 172 and name HN )) 3.400 1.400 1.400 peak 1624 spectrum 1 weight 0.10000E+01 volume 0.16163E-02 ppm1 2.379 ppm2 8.142 CV 1 ASSI { 1625} (( segid " A" and resid 173 and name HB1 )) (( segid " A" and resid 173 and name HN )) 3.800 1.800 1.800 peak 1625 spectrum 1 weight 0.10000E+01 volume 0.12051E-02 ppm1 1.940 ppm2 8.101 CV 1 ASSI { 1626} (( segid " A" and resid 128 and name HA )) (( segid " A" and resid 132 and name HN )) 3.400 1.400 1.400 peak 1626 spectrum 1 weight 0.10000E+01 volume 0.20116E-02 ppm1 3.731 ppm2 8.072 CV 1 ASSI { 1627} (( segid " A" and resid 129 and name HA )) (( segid " A" and resid 132 and name HN )) 3.600 1.700 1.700 peak 1627 spectrum 1 weight 0.10000E+01 volume 0.98792E-03 ppm1 3.666 ppm2 8.095 CV 1 ASSI { 1628} (( segid " A" and resid 173 and name HA )) (( segid " A" and resid 173 and name HN )) 3.300 1.300 1.300 peak 1628 spectrum 1 weight 0.10000E+01 volume 0.20541E-02 ppm1 5.040 ppm2 8.094 CV 1 ASSI { 1629} (( segid " A" and resid 131 and name HA )) (( segid " A" and resid 132 and name HN )) 3.500 1.500 1.500 peak 1629 spectrum 1 weight 0.10000E+01 volume 0.18244E-02 ppm1 4.207 ppm2 8.085 CV 1 ASSI { 1630} (( segid " A" and resid 134 and name HD1 )) (( segid " A" and resid 132 and name HN )) 4.800 2.900 1.200 peak 1630 spectrum 1 weight 0.10000E+01 volume 0.67165E-03 ppm1 3.712 ppm2 8.090 CV 1 ASSI { 1631} (( segid " A" and resid 134 and name HD2 )) (( segid " A" and resid 132 and name HN )) 3.600 1.600 1.600 peak 1631 spectrum 1 weight 0.10000E+01 volume 0.10512E-02 ppm1 3.075 ppm2 8.089 CV 1 ASSI { 1632} (( segid " A" and resid 214 and name HA )) (( segid " A" and resid 216 and name HN )) 3.500 1.500 1.500 peak 1632 spectrum 1 weight 0.10000E+01 volume 0.14374E-02 ppm1 5.090 ppm2 8.075 CV 1 ASSI { 1633} (( segid " A" and resid 251 and name HA1 )) (( segid " A" and resid 216 and name HN )) 4.200 2.200 1.800 peak 1633 spectrum 1 weight 0.10000E+01 volume 0.67165E-03 ppm1 4.304 ppm2 8.073 CV 1 ASSI { 1634} (( segid " A" and resid 132 and name HB2 )) (( segid " A" and resid 132 and name HN )) 2.600 0.900 0.900 peak 1634 spectrum 1 weight 0.10000E+01 volume 0.21123E-02 ppm1 3.536 ppm2 8.079 CV 1 ASSI { 1635} (( segid " A" and resid 132 and name HB1 )) (( segid " A" and resid 132 and name HN )) 3.700 1.700 1.700 peak 1635 spectrum 1 weight 0.10000E+01 volume 0.29879E-02 ppm1 2.852 ppm2 8.086 CV 1 ASSI { 1636} ( segid " A" and resid 280 and name HD2%) (( segid " A" and resid 216 and name HN )) 4.100 2.100 1.900 peak 1636 spectrum 1 weight 0.10000E+01 volume 0.12218E-02 ppm1 0.867 ppm2 8.080 CV 1 ASSI { 1637} ( segid " A" and resid 214 and name HB% ) (( segid " A" and resid 216 and name HN )) 4.300 2.300 1.700 peak 1637 spectrum 1 weight 0.10000E+01 volume 0.20424E-02 ppm1 1.267 ppm2 8.072 CV 1 ASSI { 1638} ( segid " A" and resid 185 and name HG1%) (( segid " A" and resid 173 and name HN )) 2.600 2.600 3.400 peak 1638 spectrum 1 weight 0.10000E+01 volume 0.30678E-02 ppm1 1.004 ppm2 8.083 CV 1 ASSI { 1639} ( segid " A" and resid 158 and name HG1%) (( segid " A" and resid 132 and name HN )) 3.100 3.100 2.900 peak 1639 spectrum 1 weight 0.10000E+01 volume 0.15647E-02 ppm1 0.131 ppm2 8.072 CV 1 OR { 1639} ( segid " A" and resid 158 and name HG1%) (( segid " A" and resid 173 and name HN )) ASSI { 1640} ( segid " A" and resid 131 and name HB% ) (( segid " A" and resid 132 and name HN )) 2.600 0.900 0.900 peak 1640 spectrum 1 weight 0.10000E+01 volume 0.86141E-02 ppm1 1.450 ppm2 8.086 CV 1 ASSI { 1641} ( segid " A" and resid 133 and name HB% ) (( segid " A" and resid 132 and name HN )) 4.300 2.300 1.700 peak 1641 spectrum 1 weight 0.10000E+01 volume 0.23495E-02 ppm1 1.617 ppm2 8.096 CV 1 ASSI { 1642} ( segid " A" and resid 173 and name HE% ) (( segid " A" and resid 173 and name HN )) 3.800 1.800 1.800 peak 1642 spectrum 1 weight 0.10000E+01 volume 0.27474E-02 ppm1 1.395 ppm2 8.085 CV 1 ASSI { 1643} ( segid " A" and resid 138 and name HD1%) (( segid " A" and resid 132 and name HN )) 3.500 1.500 1.500 peak 1643 spectrum 1 weight 0.10000E+01 volume 0.22197E-02 ppm1 0.771 ppm2 8.087 CV 1 ASSI { 1644} (( segid " A" and resid 252 and name HA )) (( segid " A" and resid 216 and name HN )) 4.200 2.300 1.800 peak 1644 spectrum 1 weight 0.10000E+01 volume 0.77818E-03 ppm1 5.616 ppm2 8.057 CV 1 ASSI { 1645} (( segid " A" and resid 258 and name HG1 )) (( segid " A" and resid 234 and name HN )) 3.800 1.800 1.800 peak 1645 spectrum 1 weight 0.10000E+01 volume 0.18510E-02 ppm1 2.253 ppm2 8.048 CV 1 ASSI { 1646} (( segid " A" and resid 167 and name HG1 )) (( segid " A" and resid 167 and name HE22)) 3.900 1.900 1.900 peak 1646 spectrum 1 weight 0.10000E+01 volume 0.24802E-02 ppm1 2.171 ppm2 8.050 CV 1 ASSI { 1648} (( segid " A" and resid 234 and name HB2 )) (( segid " A" and resid 234 and name HN )) 3.300 1.400 1.400 peak 1648 spectrum 1 weight 0.10000E+01 volume 0.15339E-02 ppm1 1.780 ppm2 8.029 CV 1 OR { 1648} (( segid " A" and resid 234 and name HB1 )) (( segid " A" and resid 234 and name HN )) ASSI { 1649} (( segid " A" and resid 200 and name HA )) (( segid " A" and resid 202 and name HN )) 4.300 2.300 1.700 peak 1649 spectrum 1 weight 0.10000E+01 volume 0.72908E-03 ppm1 4.135 ppm2 8.011 CV 1 ASSI { 1650} (( segid " A" and resid 199 and name HA )) (( segid " A" and resid 202 and name HN )) 3.900 1.900 1.900 peak 1650 spectrum 1 weight 0.10000E+01 volume 0.94048E-03 ppm1 4.405 ppm2 7.995 CV 1 ASSI { 1651} (( segid " A" and resid 169 and name HA )) (( segid " A" and resid 170 and name HN )) 3.400 1.500 1.500 peak 1651 spectrum 1 weight 0.10000E+01 volume 0.20424E-02 ppm1 2.382 ppm2 8.003 CV 1 ASSI { 1652} (( segid " A" and resid 166 and name HA )) (( segid " A" and resid 170 and name HN )) 3.800 1.800 1.800 peak 1652 spectrum 1 weight 0.10000E+01 volume 0.77486E-03 ppm1 3.650 ppm2 8.007 CV 1 ASSI { 1653} (( segid " A" and resid 201 and name HG )) (( segid " A" and resid 202 and name HN )) 4.500 2.500 1.500 peak 1653 spectrum 1 weight 0.10000E+01 volume 0.95796E-03 ppm1 1.862 ppm2 7.997 CV 1 ASSI { 1654} (( segid " A" and resid 170 and name HG )) (( segid " A" and resid 170 and name HN )) 3.600 1.600 1.600 peak 1654 spectrum 1 weight 0.10000E+01 volume 0.53691E-02 ppm1 1.717 ppm2 8.000 CV 1 ASSI { 1655} ( segid " A" and resid 170 and name HD2%) (( segid " A" and resid 170 and name HN )) 3.900 1.900 1.900 peak 1655 spectrum 1 weight 0.10000E+01 volume 0.44735E-02 ppm1 0.797 ppm2 8.006 CV 1 ASSI { 1656} ( segid " A" and resid 114 and name HG2%) (( segid " A" and resid 170 and name HN )) 3.500 1.600 1.600 peak 1656 spectrum 1 weight 0.10000E+01 volume 0.29971E-02 ppm1 0.929 ppm2 8.001 CV 1 ASSI { 1657} ( segid " A" and resid 114 and name HG1%) (( segid " A" and resid 170 and name HN )) 3.700 1.800 1.800 peak 1657 spectrum 1 weight 0.10000E+01 volume 0.18718E-02 ppm1 0.901 ppm2 8.011 CV 1 ASSI { 1658} ( segid " A" and resid 205 and name HB% ) (( segid " A" and resid 202 and name HN )) 3.100 3.100 2.900 peak 1658 spectrum 1 weight 0.10000E+01 volume 0.11760E-02 ppm1 1.152 ppm2 8.008 CV 1 ASSI { 1659} ( segid " A" and resid 111 and name HE% ) (( segid " A" and resid 198 and name HN )) 4.500 2.500 1.500 peak 1659 spectrum 1 weight 0.10000E+01 volume 0.97044E-03 ppm1 1.969 ppm2 7.987 CV 1 OR { 1659} ( segid " A" and resid 111 and name HE% ) (( segid " A" and resid 202 and name HN )) ASSI { 1660} (( segid " A" and resid 184 and name HA )) (( segid " A" and resid 184 and name HN )) 3.500 1.500 1.500 peak 1660 spectrum 1 weight 0.10000E+01 volume 0.11028E-02 ppm1 4.961 ppm2 7.982 CV 1 ASSI { 1661} (( segid " A" and resid 183 and name HB )) (( segid " A" and resid 184 and name HN )) 2.500 0.800 0.800 peak 1661 spectrum 1 weight 0.10000E+01 volume 0.44802E-02 ppm1 2.018 ppm2 7.971 CV 1 ASSI { 1662} (( segid " A" and resid 184 and name HB2 )) (( segid " A" and resid 184 and name HN )) 2.900 1.100 1.100 peak 1662 spectrum 1 weight 0.10000E+01 volume 0.24702E-02 ppm1 1.739 ppm2 7.966 CV 1 ASSI { 1663} (( segid " A" and resid 184 and name HB1 )) (( segid " A" and resid 184 and name HN )) 3.200 1.300 1.300 peak 1663 spectrum 1 weight 0.10000E+01 volume 0.28281E-02 ppm1 1.598 ppm2 7.969 CV 1 ASSI { 1664} (( segid " A" and resid 197 and name HG11)) (( segid " A" and resid 198 and name HN )) 4.600 2.600 1.400 peak 1664 spectrum 1 weight 0.10000E+01 volume 0.83145E-03 ppm1 1.327 ppm2 7.970 CV 1 ASSI { 1665} ( segid " A" and resid 183 and name HG2%) (( segid " A" and resid 184 and name HN )) 3.900 1.900 1.900 peak 1665 spectrum 1 weight 0.10000E+01 volume 0.38485E-02 ppm1 0.950 ppm2 7.969 CV 1 ASSI { 1666} ( segid " A" and resid 107 and name HB% ) (( segid " A" and resid 198 and name HN )) 3.600 1.600 1.600 peak 1666 spectrum 1 weight 0.10000E+01 volume 0.25002E-02 ppm1 1.479 ppm2 7.971 CV 1 ASSI { 1667} ( segid " A" and resid 197 and name HG2%) (( segid " A" and resid 198 and name HN )) 3.500 1.500 1.500 peak 1667 spectrum 1 weight 0.10000E+01 volume 0.27041E-02 ppm1 0.881 ppm2 7.973 CV 1 ASSI { 1668} ( segid " A" and resid 183 and name HD1%) (( segid " A" and resid 184 and name HN )) 4.200 2.200 1.800 peak 1668 spectrum 1 weight 0.10000E+01 volume 0.19950E-02 ppm1 0.873 ppm2 7.970 CV 1 ASSI { 1669} ( segid " A" and resid 197 and name HD1%) (( segid " A" and resid 198 and name HN )) 3.300 1.400 1.400 peak 1669 spectrum 1 weight 0.10000E+01 volume 0.74822E-03 ppm1 0.795 ppm2 7.982 CV 1 ASSI { 1670} (( segid " A" and resid 246 and name HB )) (( segid " A" and resid 248 and name HN )) 4.300 2.300 1.700 peak 1670 spectrum 1 weight 0.10000E+01 volume 0.75821E-03 ppm1 4.285 ppm2 7.931 CV 1 ASSI { 1671} (( segid " A" and resid 127 and name HB )) (( segid " A" and resid 130 and name HN )) 4.500 2.500 1.500 peak 1671 spectrum 1 weight 0.10000E+01 volume 0.86724E-03 ppm1 4.176 ppm2 7.932 CV 1 ASSI { 1672} (( segid " A" and resid 127 and name HA )) (( segid " A" and resid 130 and name HN )) 3.500 1.500 1.500 peak 1672 spectrum 1 weight 0.10000E+01 volume 0.19617E-02 ppm1 4.002 ppm2 7.935 CV 1 ASSI { 1673} (( segid " A" and resid 128 and name HA )) (( segid " A" and resid 130 and name HN )) 3.700 1.700 1.700 peak 1673 spectrum 1 weight 0.10000E+01 volume 0.12218E-02 ppm1 3.731 ppm2 7.938 CV 1 ASSI { 1674} (( segid " A" and resid 263 and name HA )) (( segid " A" and resid 266 and name HN )) 3.400 1.500 1.500 peak 1674 spectrum 1 weight 0.10000E+01 volume 0.12684E-02 ppm1 3.715 ppm2 7.940 CV 1 ASSI { 1675} (( segid " A" and resid 129 and name HA )) (( segid " A" and resid 130 and name HN )) 3.400 1.400 1.400 peak 1675 spectrum 1 weight 0.10000E+01 volume 0.12984E-02 ppm1 3.666 ppm2 7.945 CV 1 ASSI { 1676} (( segid " A" and resid 131 and name HA )) (( segid " A" and resid 130 and name HN )) 4.800 2.800 1.200 peak 1676 spectrum 1 weight 0.10000E+01 volume 0.99624E-03 ppm1 4.205 ppm2 7.925 CV 1 ASSI { 1677} (( segid " A" and resid 129 and name HD1 )) (( segid " A" and resid 130 and name HN )) 4.000 2.000 2.000 peak 1677 spectrum 1 weight 0.10000E+01 volume 0.21423E-02 ppm1 3.166 ppm2 7.933 CV 1 OR { 1677} (( segid " A" and resid 243 and name HB1 )) (( segid " A" and resid 248 and name HN )) ASSI { 1678} (( segid " A" and resid 243 and name HB2 )) (( segid " A" and resid 248 and name HN )) 3.900 1.900 1.900 peak 1678 spectrum 1 weight 0.10000E+01 volume 0.11261E-02 ppm1 2.416 ppm2 7.931 CV 1 ASSI { 1679} (( segid " A" and resid 130 and name HG2 )) (( segid " A" and resid 130 and name HN )) 3.500 1.600 1.600 peak 1679 spectrum 1 weight 0.10000E+01 volume 0.47274E-02 ppm1 2.550 ppm2 7.941 CV 1 ASSI { 1680} (( segid " A" and resid 130 and name HG1 )) (( segid " A" and resid 130 and name HN )) 2.500 0.800 0.800 peak 1680 spectrum 1 weight 0.10000E+01 volume 0.53624E-02 ppm1 2.423 ppm2 7.938 CV 1 ASSI { 1681} (( segid " A" and resid 267 and name HB )) (( segid " A" and resid 266 and name HN )) 4.300 2.300 1.700 peak 1681 spectrum 1 weight 0.10000E+01 volume 0.13317E-02 ppm1 2.067 ppm2 7.933 CV 1 ASSI { 1682} (( segid " A" and resid 129 and name HB2 )) (( segid " A" and resid 130 and name HN )) 3.700 1.700 1.700 peak 1682 spectrum 1 weight 0.10000E+01 volume 0.28040E-02 ppm1 1.948 ppm2 7.940 CV 1 ASSI { 1683} (( segid " A" and resid 129 and name HB1 )) (( segid " A" and resid 130 and name HN )) 2.700 0.900 0.900 peak 1683 spectrum 1 weight 0.10000E+01 volume 0.34748E-02 ppm1 1.887 ppm2 7.936 CV 1 ASSI { 1684} (( segid " A" and resid 264 and name HB2 )) (( segid " A" and resid 266 and name HN )) 4.600 2.700 1.400 peak 1684 spectrum 1 weight 0.10000E+01 volume 0.11144E-02 ppm1 2.086 ppm2 7.932 CV 1 OR { 1684} (( segid " A" and resid 264 and name HB1 )) (( segid " A" and resid 266 and name HN )) ASSI { 1685} (( segid " A" and resid 129 and name HG2 )) (( segid " A" and resid 130 and name HN )) 3.800 1.800 1.800 peak 1685 spectrum 1 weight 0.10000E+01 volume 0.17653E-02 ppm1 1.541 ppm2 7.944 CV 1 OR { 1685} (( segid " A" and resid 129 and name HG1 )) (( segid " A" and resid 130 and name HN )) OR { 1685} (( segid " A" and resid 129 and name HG1 )) ( segid " A" and resid 132 and name HD% ) ASSI { 1686} ( segid " A" and resid 246 and name HG2%) (( segid " A" and resid 248 and name HN )) 4.100 2.200 1.900 peak 1686 spectrum 1 weight 0.10000E+01 volume 0.14274E-02 ppm1 1.197 ppm2 7.925 CV 1 ASSI { 1687} ( segid " A" and resid 131 and name HB% ) ( segid " A" and resid 132 and name HD% ) 2.700 0.900 0.900 peak 1687 spectrum 1 weight 0.10000E+01 volume 0.55031E-02 ppm1 1.450 ppm2 7.950 CV 1 OR { 1687} ( segid " A" and resid 131 and name HB% ) (( segid " A" and resid 130 and name HN )) ASSI { 1688} ( segid " A" and resid 173 and name HE% ) ( segid " A" and resid 132 and name HD% ) 3.400 1.500 1.500 peak 1688 spectrum 1 weight 0.10000E+01 volume 0.14107E-02 ppm1 1.393 ppm2 7.946 CV 1 ASSI { 1689} ( segid " A" and resid 240 and name HD1%) (( segid " A" and resid 220 and name HN )) 4.300 2.400 1.700 peak 1689 spectrum 1 weight 0.10000E+01 volume 0.70578E-03 ppm1 -0.051 ppm2 7.923 CV 1 ASSI { 1690} ( segid " A" and resid 127 and name HG2%) (( segid " A" and resid 130 and name HN )) 4.400 2.500 1.600 peak 1690 spectrum 1 weight 0.10000E+01 volume 0.94547E-03 ppm1 1.326 ppm2 7.921 CV 1 ASSI { 1691} ( segid " A" and resid 216 and name HG1%) (( segid " A" and resid 220 and name HN )) 3.500 1.600 1.600 peak 1691 spectrum 1 weight 0.10000E+01 volume 0.30586E-02 ppm1 0.673 ppm2 7.898 CV 1 ASSI { 1692} (( segid " A" and resid 267 and name HA )) (( segid " A" and resid 270 and name HN )) 3.700 1.700 1.700 peak 1692 spectrum 1 weight 0.10000E+01 volume 0.78651E-03 ppm1 3.436 ppm2 7.858 CV 1 ASSI { 1693} (( segid " A" and resid 282 and name HB )) (( segid " A" and resid 270 and name HN )) 4.500 2.600 1.500 peak 1693 spectrum 1 weight 0.10000E+01 volume 0.76237E-03 ppm1 1.808 ppm2 7.857 CV 1 OR { 1693} (( segid " A" and resid 282 and name HB )) (( segid " A" and resid 271 and name HD21)) ASSI { 1694} (( segid " A" and resid 270 and name HG2 )) (( segid " A" and resid 270 and name HN )) 2.700 0.900 0.900 peak 1694 spectrum 1 weight 0.10000E+01 volume 0.19758E-02 ppm1 1.863 ppm2 7.847 CV 1 ASSI { 1696} (( segid " A" and resid 270 and name HB2 )) (( segid " A" and resid 270 and name HN )) 2.900 1.000 1.000 peak 1696 spectrum 1 weight 0.10000E+01 volume 0.22996E-02 ppm1 1.985 ppm2 7.838 CV 1 OR { 1696} (( segid " A" and resid 226 and name HB1 )) (( segid " A" and resid 227 and name HN )) ASSI { 1697} ( segid " A" and resid 272 and name HD1%) (( segid " A" and resid 271 and name HD21)) 3.800 1.800 1.800 peak 1697 spectrum 1 weight 0.10000E+01 volume 0.33658E-02 ppm1 0.810 ppm2 7.845 CV 1 ASSI { 1698} ( segid " A" and resid 282 and name HG2%) (( segid " A" and resid 270 and name HN )) 2.800 2.800 3.200 peak 1698 spectrum 1 weight 0.10000E+01 volume 0.21057E-02 ppm1 1.046 ppm2 7.852 CV 1 ASSI { 1699} ( segid " A" and resid 282 and name HG1%) (( segid " A" and resid 271 and name HD21)) 3.500 1.500 1.500 peak 1699 spectrum 1 weight 0.10000E+01 volume 0.29013E-02 ppm1 1.010 ppm2 7.842 CV 1 OR { 1699} ( segid " A" and resid 282 and name HG1%) (( segid " A" and resid 270 and name HN )) ASSI { 1700} ( segid " A" and resid 272 and name HD2%) (( segid " A" and resid 271 and name HD21)) 4.500 2.500 1.500 peak 1700 spectrum 1 weight 0.10000E+01 volume 0.19733E-02 ppm1 0.712 ppm2 7.851 CV 1 ASSI { 1701} ( segid " A" and resid 270 and name HE% ) (( segid " A" and resid 270 and name HN )) 4.100 2.100 1.900 peak 1701 spectrum 1 weight 0.10000E+01 volume 0.26442E-02 ppm1 0.596 ppm2 7.851 CV 1 ASSI { 1702} (( segid " A" and resid 239 and name HB )) (( segid " A" and resid 254 and name HN )) 3.600 1.600 1.600 peak 1702 spectrum 1 weight 0.10000E+01 volume 0.15838E-02 ppm1 3.947 ppm2 7.813 CV 1 ASSI { 1703} (( segid " A" and resid 228 and name HA )) (( segid " A" and resid 227 and name HN )) 4.900 3.000 1.100 peak 1703 spectrum 1 weight 0.10000E+01 volume 0.74906E-03 ppm1 3.931 ppm2 7.818 CV 1 ASSI { 1704} (( segid " A" and resid 225 and name HA )) (( segid " A" and resid 227 and name HN )) 3.700 1.700 1.700 peak 1704 spectrum 1 weight 0.10000E+01 volume 0.13100E-02 ppm1 3.945 ppm2 7.816 CV 1 ASSI { 1705} (( segid " A" and resid 224 and name HA )) (( segid " A" and resid 227 and name HN )) 3.400 1.500 1.500 peak 1705 spectrum 1 weight 0.10000E+01 volume 0.17586E-02 ppm1 4.405 ppm2 7.817 CV 1 ASSI { 1706} (( segid " A" and resid 226 and name HE2 )) (( segid " A" and resid 227 and name HN )) 4.900 3.100 1.100 peak 1706 spectrum 1 weight 0.10000E+01 volume 0.10961E-02 ppm1 2.873 ppm2 7.820 CV 1 OR { 1706} (( segid " A" and resid 226 and name HE1 )) (( segid " A" and resid 227 and name HN )) ASSI { 1707} (( segid " A" and resid 225 and name HB )) (( segid " A" and resid 227 and name HN )) 4.900 3.000 1.100 peak 1707 spectrum 1 weight 0.10000E+01 volume 0.71660E-03 ppm1 1.886 ppm2 7.818 CV 1 ASSI { 1708} (( segid " A" and resid 226 and name HD1 )) (( segid " A" and resid 227 and name HN )) 4.200 2.200 1.800 peak 1708 spectrum 1 weight 0.10000E+01 volume 0.17203E-02 ppm1 1.687 ppm2 7.819 CV 1 OR { 1708} (( segid " A" and resid 226 and name HD2 )) (( segid " A" and resid 227 and name HN )) ASSI { 1709} (( segid " A" and resid 206 and name HG2 )) (( segid " A" and resid 203 and name HN )) 5.200 3.300 0.800 peak 1709 spectrum 1 weight 0.10000E+01 volume 0.10395E-02 ppm1 1.763 ppm2 7.819 CV 1 ASSI { 1710} ( segid " A" and resid 228 and name HG1%) (( segid " A" and resid 270 and name HN )) 4.300 2.300 1.700 peak 1710 spectrum 1 weight 0.10000E+01 volume 0.31768E-02 ppm1 1.057 ppm2 7.825 CV 1 OR { 1710} ( segid " A" and resid 228 and name HG1%) (( segid " A" and resid 227 and name HN )) ASSI { 1711} ( segid " A" and resid 240 and name HD2%) (( segid " A" and resid 254 and name HN )) 3.600 1.600 1.600 peak 1711 spectrum 1 weight 0.10000E+01 volume 0.25268E-02 ppm1 0.108 ppm2 7.815 CV 1 ASSI { 1712} ( segid " A" and resid 197 and name HG2%) (( segid " A" and resid 107 and name HN )) 4.200 2.200 1.800 peak 1712 spectrum 1 weight 0.10000E+01 volume 0.10778E-02 ppm1 0.880 ppm2 7.819 CV 1 ASSI { 1713} (( segid " A" and resid 200 and name HA )) (( segid " A" and resid 203 and name HN )) 3.200 1.300 1.300 peak 1713 spectrum 1 weight 0.10000E+01 volume 0.27307E-02 ppm1 4.136 ppm2 7.804 CV 1 ASSI { 1714} ( segid " A" and resid 239 and name HG2%) (( segid " A" and resid 254 and name HN )) 3.500 1.600 1.600 peak 1714 spectrum 1 weight 0.10000E+01 volume 0.17703E-02 ppm1 1.178 ppm2 7.790 CV 1 ASSI { 1715} (( segid " A" and resid 172 and name HB2 )) (( segid " A" and resid 172 and name HE21)) 3.700 1.700 1.700 peak 1715 spectrum 1 weight 0.10000E+01 volume 0.15763E-02 ppm1 1.747 ppm2 7.769 CV 1 OR { 1715} (( segid " A" and resid 210 and name HG2 )) (( segid " A" and resid 285 and name HN )) ASSI { 1716} (( segid " A" and resid 284 and name HG2 )) (( segid " A" and resid 285 and name HN )) 4.500 2.600 1.500 peak 1716 spectrum 1 weight 0.10000E+01 volume 0.14540E-02 ppm1 1.546 ppm2 7.765 CV 1 OR { 1716} (( segid " A" and resid 284 and name HG1 )) (( segid " A" and resid 285 and name HN )) ASSI { 1717} ( segid " A" and resid 168 and name HD1%) (( segid " A" and resid 172 and name HE21)) 2.800 1.000 1.000 peak 1717 spectrum 1 weight 0.10000E+01 volume 0.61464E-02 ppm1 0.909 ppm2 7.753 CV 1 OR { 1717} ( segid " A" and resid 168 and name HD1%) (( segid " A" and resid 169 and name HN )) ASSI { 1718} ( segid " A" and resid 267 and name HG2%) (( segid " A" and resid 285 and name HN )) 3.400 1.400 1.400 peak 1718 spectrum 1 weight 0.10000E+01 volume 0.40799E-02 ppm1 1.009 ppm2 7.751 CV 1 ASSI { 1719} ( segid " A" and resid 280 and name HD2%) (( segid " A" and resid 281 and name HN )) 3.700 1.700 1.700 peak 1719 spectrum 1 weight 0.10000E+01 volume 0.46000E-02 ppm1 0.869 ppm2 7.757 CV 1 ASSI { 1720} ( segid " A" and resid 127 and name HG2%) (( segid " A" and resid 131 and name HN )) 3.600 1.600 1.600 peak 1720 spectrum 1 weight 0.10000E+01 volume 0.15647E-02 ppm1 1.325 ppm2 7.756 CV 1 ASSI { 1721} ( segid " A" and resid 123 and name HD1%) (( segid " A" and resid 123 and name HN )) 4.000 2.000 2.000 peak 1721 spectrum 1 weight 0.10000E+01 volume 0.35172E-02 ppm1 0.933 ppm2 7.766 CV 1 ASSI { 1722} ( segid " A" and resid 211 and name HG2%) (( segid " A" and resid 285 and name HN )) 3.300 1.400 1.400 peak 1722 spectrum 1 weight 0.10000E+01 volume 0.33191E-02 ppm1 0.970 ppm2 7.765 CV 1 ASSI { 1723} (( segid " A" and resid 128 and name HA )) (( segid " A" and resid 131 and name HN )) 3.400 1.500 1.500 peak 1723 spectrum 1 weight 0.10000E+01 volume 0.11744E-02 ppm1 3.732 ppm2 7.742 CV 1 ASSI { 1724} (( segid " A" and resid 149 and name HA )) (( segid " A" and resid 149 and name HN )) 3.600 1.700 1.700 peak 1724 spectrum 1 weight 0.10000E+01 volume 0.11710E-02 ppm1 4.094 ppm2 7.723 CV 1 ASSI { 1725} (( segid " A" and resid 138 and name HA )) (( segid " A" and resid 140 and name HN )) 3.900 1.900 1.900 peak 1725 spectrum 1 weight 0.10000E+01 volume 0.18602E-02 ppm1 3.760 ppm2 7.733 CV 1 ASSI { 1726} (( segid " A" and resid 135 and name HA )) (( segid " A" and resid 136 and name HN )) 3.300 1.400 1.400 peak 1726 spectrum 1 weight 0.10000E+01 volume 0.27807E-02 ppm1 3.885 ppm2 7.728 CV 1 ASSI { 1727} (( segid " A" and resid 168 and name HB2 )) (( segid " A" and resid 169 and name HN )) 3.900 1.900 1.900 peak 1727 spectrum 1 weight 0.10000E+01 volume 0.25801E-02 ppm1 1.871 ppm2 7.736 CV 1 ASSI { 1728} (( segid " A" and resid 168 and name HB1 )) (( segid " A" and resid 169 and name HN )) 2.800 0.900 0.900 peak 1728 spectrum 1 weight 0.10000E+01 volume 0.26034E-02 ppm1 1.547 ppm2 7.738 CV 1 ASSI { 1729} (( segid " A" and resid 135 and name HB1 )) (( segid " A" and resid 136 and name HN )) 4.400 2.500 1.600 peak 1729 spectrum 1 weight 0.10000E+01 volume 0.10046E-02 ppm1 3.464 ppm2 7.731 CV 1 ASSI { 1730} (( segid " A" and resid 135 and name HB2 )) (( segid " A" and resid 136 and name HN )) 3.300 1.300 1.300 peak 1730 spectrum 1 weight 0.10000E+01 volume 0.10312E-02 ppm1 2.629 ppm2 7.725 CV 1 ASSI { 1731} (( segid " A" and resid 159 and name HG2 )) (( segid " A" and resid 140 and name HN )) 3.900 1.900 1.900 peak 1731 spectrum 1 weight 0.10000E+01 volume 0.14607E-02 ppm1 2.026 ppm2 7.731 CV 1 OR { 1731} (( segid " A" and resid 159 and name HG1 )) (( segid " A" and resid 140 and name HN )) ASSI { 1732} (( segid " A" and resid 139 and name HB2 )) (( segid " A" and resid 140 and name HN )) 3.800 1.800 1.800 peak 1732 spectrum 1 weight 0.10000E+01 volume 0.28514E-02 ppm1 1.529 ppm2 7.735 CV 1 ASSI { 1733} (( segid " A" and resid 139 and name HB1 )) (( segid " A" and resid 140 and name HN )) 3.000 1.100 1.100 peak 1733 spectrum 1 weight 0.10000E+01 volume 0.22330E-02 ppm1 1.416 ppm2 7.731 CV 1 ASSI { 1734} (( segid " A" and resid 148 and name HB )) (( segid " A" and resid 149 and name HN )) 3.600 1.600 1.600 peak 1734 spectrum 1 weight 0.10000E+01 volume 0.12434E-02 ppm1 2.246 ppm2 7.733 CV 1 ASSI { 1735} (( segid " A" and resid 168 and name HG )) (( segid " A" and resid 169 and name HN )) 3.400 1.500 1.500 peak 1735 spectrum 1 weight 0.10000E+01 volume 0.13017E-02 ppm1 1.889 ppm2 7.741 CV 1 OR { 1735} (( segid " A" and resid 168 and name HG )) (( segid " A" and resid 136 and name HN )) ASSI { 1736} ( segid " A" and resid 280 and name HD1%) (( segid " A" and resid 273 and name HN )) 3.700 1.700 1.700 peak 1736 spectrum 1 weight 0.10000E+01 volume 0.32010E-02 ppm1 1.074 ppm2 7.724 CV 1 ASSI { 1737} ( segid " A" and resid 168 and name HD2%) (( segid " A" and resid 169 and name HN )) 3.600 1.600 1.600 peak 1737 spectrum 1 weight 0.10000E+01 volume 0.45268E-02 ppm1 1.024 ppm2 7.743 CV 1 OR { 1737} ( segid " A" and resid 168 and name HD2%) (( segid " A" and resid 172 and name HE21)) OR { 1737} ( segid " A" and resid 168 and name HD2%) (( segid " A" and resid 136 and name HN )) ASSI { 1738} (( segid " A" and resid 139 and name HG1 )) (( segid " A" and resid 140 and name HN )) 4.500 2.500 1.500 peak 1738 spectrum 1 weight 0.10000E+01 volume 0.12468E-02 ppm1 1.291 ppm2 7.730 CV 1 ASSI { 1739} ( segid " A" and resid 214 and name HB% ) (( segid " A" and resid 281 and name HN )) 3.500 1.500 1.500 peak 1739 spectrum 1 weight 0.10000E+01 volume 0.31435E-02 ppm1 1.267 ppm2 7.739 CV 1 ASSI { 1740} ( segid " A" and resid 149 and name HG2%) (( segid " A" and resid 149 and name HN )) 3.500 1.500 1.500 peak 1740 spectrum 1 weight 0.10000E+01 volume 0.17278E-02 ppm1 1.109 ppm2 7.726 CV 1 ASSI { 1741} ( segid " A" and resid 272 and name HD2%) (( segid " A" and resid 273 and name HN )) 4.200 2.200 1.800 peak 1741 spectrum 1 weight 0.10000E+01 volume 0.23762E-02 ppm1 0.711 ppm2 7.723 CV 1 OR { 1741} ( segid " A" and resid 272 and name HD2%) (( segid " A" and resid 172 and name HE21)) ASSI { 1742} ( segid " A" and resid 114 and name HG1%) (( segid " A" and resid 169 and name HN )) 4.500 2.500 1.500 peak 1742 spectrum 1 weight 0.10000E+01 volume 0.14748E-02 ppm1 0.898 ppm2 7.737 CV 1 OR { 1742} ( segid " A" and resid 114 and name HG1%) (( segid " A" and resid 136 and name HN )) OR { 1742} ( segid " A" and resid 114 and name HG1%) (( segid " A" and resid 140 and name HN )) ASSI { 1743} ( segid " A" and resid 138 and name HG2%) (( segid " A" and resid 140 and name HN )) 2.400 0.700 0.700 peak 1743 spectrum 1 weight 0.10000E+01 volume 0.77253E-02 ppm1 0.541 ppm2 7.736 CV 1 ASSI { 1744} ( segid " A" and resid 133 and name HB% ) (( segid " A" and resid 136 and name HN )) 4.300 2.300 1.700 peak 1744 spectrum 1 weight 0.10000E+01 volume 0.14490E-02 ppm1 1.616 ppm2 7.737 CV 1 OR { 1744} ( segid " A" and resid 133 and name HB% ) (( segid " A" and resid 131 and name HN )) ASSI { 1745} ( segid " A" and resid 173 and name HE% ) (( segid " A" and resid 169 and name HN )) 3.100 3.100 2.900 peak 1745 spectrum 1 weight 0.10000E+01 volume 0.10229E-02 ppm1 1.392 ppm2 7.747 CV 1 OR { 1745} ( segid " A" and resid 173 and name HE% ) (( segid " A" and resid 131 and name HN )) OR { 1745} ( segid " A" and resid 173 and name HE% ) (( segid " A" and resid 136 and name HN )) ASSI { 1746} ( segid " A" and resid 138 and name HD1%) (( segid " A" and resid 140 and name HN )) 4.200 2.200 1.800 peak 1746 spectrum 1 weight 0.10000E+01 volume 0.16596E-02 ppm1 0.770 ppm2 7.736 CV 1 OR { 1746} ( segid " A" and resid 138 and name HD1%) (( segid " A" and resid 136 and name HN )) ASSI { 1747} ( segid " A" and resid 141 and name HD1%) (( segid " A" and resid 140 and name HN )) 4.500 2.600 1.500 peak 1747 spectrum 1 weight 0.10000E+01 volume 0.13283E-02 ppm1 0.742 ppm2 7.733 CV 1 OR { 1747} ( segid " A" and resid 138 and name HD1%) (( segid " A" and resid 140 and name HN )) OR { 1747} ( segid " A" and resid 138 and name HD1%) (( segid " A" and resid 136 and name HN )) ASSI { 1748} (( segid " A" and resid 254 and name HA )) (( segid " A" and resid 213 and name HN )) 3.500 1.600 1.600 peak 1748 spectrum 1 weight 0.10000E+01 volume 0.17986E-02 ppm1 5.769 ppm2 7.696 CV 1 ASSI { 1749} ( segid " A" and resid 240 and name HD2%) (( segid " A" and resid 213 and name HN )) 4.800 2.900 1.200 peak 1749 spectrum 1 weight 0.10000E+01 volume 0.68414E-03 ppm1 0.104 ppm2 7.705 CV 1 ASSI { 1750} ( segid " A" and resid 270 and name HE% ) (( segid " A" and resid 273 and name HN )) 3.900 1.900 1.900 peak 1750 spectrum 1 weight 0.10000E+01 volume 0.28348E-02 ppm1 0.598 ppm2 7.710 CV 1 OR { 1750} ( segid " A" and resid 270 and name HE% ) (( segid " A" and resid 274 and name HN )) ASSI { 1751} (( segid " A" and resid 206 and name HA )) (( segid " A" and resid 208 and name HN )) 4.000 2.000 2.000 peak 1751 spectrum 1 weight 0.10000E+01 volume 0.86724E-03 ppm1 4.197 ppm2 7.679 CV 1 ASSI { 1752} ( segid " A" and resid 282 and name HG2%) (( segid " A" and resid 213 and name HN )) 2.900 2.900 3.100 peak 1752 spectrum 1 weight 0.10000E+01 volume 0.17611E-02 ppm1 1.045 ppm2 7.683 CV 1 ASSI { 1753} ( segid " A" and resid 216 and name HG1%) (( segid " A" and resid 213 and name HN )) 4.500 2.600 1.500 peak 1753 spectrum 1 weight 0.10000E+01 volume 0.19950E-02 ppm1 0.676 ppm2 7.683 CV 1 OR { 1753} ( segid " A" and resid 228 and name HG2%) (( segid " A" and resid 273 and name HN )) ASSI { 1755} (( segid " A" and resid 127 and name HB )) (( segid " A" and resid 127 and name HN )) 3.500 1.500 1.500 peak 1755 spectrum 1 weight 0.10000E+01 volume 0.10528E-02 ppm1 4.175 ppm2 7.637 CV 1 ASSI { 1756} (( segid " A" and resid 127 and name HA )) (( segid " A" and resid 127 and name HN )) 3.500 1.500 1.500 peak 1756 spectrum 1 weight 0.10000E+01 volume 0.13516E-02 ppm1 3.998 ppm2 7.634 CV 1 ASSI { 1757} (( segid " A" and resid 197 and name HA )) (( segid " A" and resid 200 and name HN )) 3.300 1.400 1.400 peak 1757 spectrum 1 weight 0.10000E+01 volume 0.23795E-02 ppm1 3.888 ppm2 7.649 CV 1 ASSI { 1758} (( segid " A" and resid 265 and name HA )) (( segid " A" and resid 268 and name HN )) 3.400 1.500 1.500 peak 1758 spectrum 1 weight 0.10000E+01 volume 0.17936E-02 ppm1 4.262 ppm2 7.646 CV 1 ASSI { 1759} (( segid " A" and resid 203 and name HG1 )) (( segid " A" and resid 200 and name HN )) 3.300 1.400 1.400 peak 1759 spectrum 1 weight 0.10000E+01 volume 0.73824E-03 ppm1 2.302 ppm2 7.642 CV 1 OR { 1759} (( segid " A" and resid 203 and name HG2 )) (( segid " A" and resid 200 and name HN )) ASSI { 1760} (( segid " A" and resid 225 and name HB )) (( segid " A" and resid 224 and name HN )) 4.500 2.500 1.500 peak 1760 spectrum 1 weight 0.10000E+01 volume 0.12501E-02 ppm1 1.883 ppm2 7.634 CV 1 ASSI { 1761} (( segid " A" and resid 201 and name HG )) (( segid " A" and resid 200 and name HN )) 4.800 2.900 1.200 peak 1761 spectrum 1 weight 0.10000E+01 volume 0.75987E-03 ppm1 1.858 ppm2 7.647 CV 1 ASSI { 1762} (( segid " A" and resid 225 and name HG12)) (( segid " A" and resid 224 and name HN )) 4.400 2.500 1.600 peak 1762 spectrum 1 weight 0.10000E+01 volume 0.10046E-02 ppm1 1.514 ppm2 7.634 CV 1 ASSI { 1763} ( segid " A" and resid 127 and name HG2%) (( segid " A" and resid 127 and name HN )) 5.000 3.100 1.000 peak 1763 spectrum 1 weight 0.10000E+01 volume 0.82979E-03 ppm1 1.328 ppm2 7.644 CV 1 ASSI { 1764} ( segid " A" and resid 245 and name HG2%) (( segid " A" and resid 246 and name HN )) 3.100 1.200 1.200 peak 1764 spectrum 1 weight 0.10000E+01 volume 0.10811E-02 ppm1 1.241 ppm2 7.646 CV 1 ASSI { 1765} ( segid " A" and resid 267 and name HG1%) (( segid " A" and resid 268 and name HN )) 3.300 1.300 1.300 peak 1765 spectrum 1 weight 0.10000E+01 volume 0.40799E-02 ppm1 0.965 ppm2 7.651 CV 1 ASSI { 1766} ( segid " A" and resid 197 and name HG2%) (( segid " A" and resid 200 and name HN )) 4.200 2.200 1.800 peak 1766 spectrum 1 weight 0.10000E+01 volume 0.13633E-02 ppm1 0.883 ppm2 7.656 CV 1 ASSI { 1767} ( segid " A" and resid 198 and name HG2%) (( segid " A" and resid 200 and name HN )) 4.700 2.800 1.300 peak 1767 spectrum 1 weight 0.10000E+01 volume 0.84227E-03 ppm1 0.930 ppm2 7.644 CV 1 ASSI { 1768} ( segid " A" and resid 170 and name HD2%) (( segid " A" and resid 171 and name HN )) 3.900 1.900 1.900 peak 1768 spectrum 1 weight 0.10000E+01 volume 0.15480E-02 ppm1 0.806 ppm2 7.606 CV 1 OR { 1768} ( segid " A" and resid 170 and name HD1%) (( segid " A" and resid 171 and name HN )) ASSI { 1769} ( segid " A" and resid 168 and name HD1%) (( segid " A" and resid 171 and name HN )) 4.100 2.100 1.900 peak 1769 spectrum 1 weight 0.10000E+01 volume 0.16404E-02 ppm1 0.908 ppm2 7.613 CV 1 ASSI { 1770} ( segid " A" and resid 220 and name HD1%) (( segid " A" and resid 224 and name HN )) 4.800 2.800 1.200 peak 1770 spectrum 1 weight 0.10000E+01 volume 0.12334E-02 ppm1 0.800 ppm2 7.626 CV 1 ASSI { 1771} ( segid " A" and resid 231 and name HB% ) (( segid " A" and resid 233 and name HN )) 4.700 2.700 1.300 peak 1771 spectrum 1 weight 0.10000E+01 volume 0.18244E-02 ppm1 0.805 ppm2 7.611 CV 1 ASSI { 1773} (( segid " A" and resid 170 and name HA )) (( segid " A" and resid 171 and name HN )) 3.400 1.400 1.400 peak 1773 spectrum 1 weight 0.10000E+01 volume 0.16288E-02 ppm1 3.742 ppm2 7.597 CV 1 ASSI { 1774} (( segid " A" and resid 109 and name HA )) (( segid " A" and resid 110 and name HN )) 3.600 1.600 1.600 peak 1774 spectrum 1 weight 0.10000E+01 volume 0.16213E-02 ppm1 4.110 ppm2 7.585 CV 1 ASSI { 1775} (( segid " A" and resid 107 and name HA )) (( segid " A" and resid 110 and name HN )) 3.300 1.300 1.300 peak 1775 spectrum 1 weight 0.10000E+01 volume 0.20591E-02 ppm1 3.940 ppm2 7.589 CV 1 ASSI { 1776} (( segid " A" and resid 170 and name HB2 )) (( segid " A" and resid 171 and name HN )) 3.700 1.800 1.800 peak 1776 spectrum 1 weight 0.10000E+01 volume 0.28914E-02 ppm1 1.796 ppm2 7.598 CV 1 ASSI { 1777} (( segid " A" and resid 170 and name HB1 )) (( segid " A" and resid 171 and name HN )) 2.800 1.000 1.000 peak 1777 spectrum 1 weight 0.10000E+01 volume 0.29172E-02 ppm1 1.572 ppm2 7.599 CV 1 ASSI { 1778} (( segid " A" and resid 170 and name HG )) (( segid " A" and resid 171 and name HN )) 4.000 2.000 2.000 peak 1778 spectrum 1 weight 0.10000E+01 volume 0.16571E-02 ppm1 1.718 ppm2 7.592 CV 1 OR { 1778} (( segid " A" and resid 108 and name HG )) (( segid " A" and resid 110 and name HN )) ASSI { 1779} ( segid " A" and resid 170 and name HD2%) (( segid " A" and resid 171 and name HN )) 4.000 2.000 2.000 peak 1779 spectrum 1 weight 0.10000E+01 volume 0.14523E-02 ppm1 0.795 ppm2 7.597 CV 1 OR { 1779} ( segid " A" and resid 170 and name HD1%) (( segid " A" and resid 171 and name HN )) ASSI { 1780} ( segid " A" and resid 109 and name HB% ) (( segid " A" and resid 110 and name HN )) 2.700 0.900 0.900 peak 1780 spectrum 1 weight 0.10000E+01 volume 0.78293E-02 ppm1 1.446 ppm2 7.587 CV 1 ASSI { 1781} (( segid " A" and resid 263 and name HA )) (( segid " A" and resid 267 and name HN )) 3.900 1.900 1.900 peak 1781 spectrum 1 weight 0.10000E+01 volume 0.85808E-03 ppm1 3.718 ppm2 7.564 CV 1 ASSI { 1782} (( segid " A" and resid 264 and name HA )) (( segid " A" and resid 267 and name HN )) 3.400 1.400 1.400 peak 1782 spectrum 1 weight 0.10000E+01 volume 0.21723E-02 ppm1 3.933 ppm2 7.556 CV 1 ASSI { 1783} ( segid " A" and resid 211 and name HG2%) (( segid " A" and resid 267 and name HN )) 4.400 2.400 1.600 peak 1783 spectrum 1 weight 0.10000E+01 volume 0.15106E-02 ppm1 0.971 ppm2 7.552 CV 1 ASSI { 1784} (( segid " A" and resid 265 and name HA )) (( segid " A" and resid 267 and name HN )) 4.000 2.000 2.000 peak 1784 spectrum 1 weight 0.10000E+01 volume 0.95130E-03 ppm1 4.261 ppm2 7.542 CV 1 ASSI { 1785} ( segid " A" and resid 282 and name HG2%) (( segid " A" and resid 267 and name HN )) 4.000 2.000 2.000 peak 1785 spectrum 1 weight 0.10000E+01 volume 0.29829E-02 ppm1 1.045 ppm2 7.534 CV 1 ASSI { 1786} ( segid " A" and resid 213 and name HG1%) (( segid " A" and resid 267 and name HN )) 5.300 3.500 0.700 peak 1786 spectrum 1 weight 0.10000E+01 volume 0.10811E-02 ppm1 0.384 ppm2 7.542 CV 1 ASSI { 1787} (( segid " A" and resid 282 and name HB )) (( segid " A" and resid 271 and name HN )) 3.800 1.800 1.800 peak 1787 spectrum 1 weight 0.10000E+01 volume 0.17653E-02 ppm1 1.803 ppm2 7.499 CV 1 ASSI { 1788} (( segid " A" and resid 203 and name HA )) (( segid " A" and resid 206 and name HN )) 3.300 1.400 1.400 peak 1788 spectrum 1 weight 0.10000E+01 volume 0.34232E-02 ppm1 4.067 ppm2 7.475 CV 1 ASSI { 1789} (( segid " A" and resid 202 and name HA )) (( segid " A" and resid 206 and name HN )) 4.000 2.000 2.000 peak 1789 spectrum 1 weight 0.10000E+01 volume 0.12251E-02 ppm1 3.940 ppm2 7.462 CV 1 ASSI { 1790} (( segid " A" and resid 165 and name HA )) (( segid " A" and resid 168 and name HN )) 3.800 1.800 1.800 peak 1790 spectrum 1 weight 0.10000E+01 volume 0.16329E-02 ppm1 3.650 ppm2 7.468 CV 1 ASSI { 1791} (( segid " A" and resid 207 and name HA )) (( segid " A" and resid 206 and name HN )) 4.500 2.500 1.500 peak 1791 spectrum 1 weight 0.10000E+01 volume 0.15148E-02 ppm1 4.116 ppm2 7.482 CV 1 ASSI { 1793} (( segid " A" and resid 203 and name HB1 )) (( segid " A" and resid 206 and name HN )) 4.200 2.300 1.800 peak 1793 spectrum 1 weight 0.10000E+01 volume 0.14307E-02 ppm1 2.181 ppm2 7.461 CV 1 OR { 1793} (( segid " A" and resid 203 and name HB2 )) (( segid " A" and resid 206 and name HN )) OR { 1793} (( segid " A" and resid 130 and name HB2 )) (( segid " A" and resid 128 and name HN )) ASSI { 1794} (( segid " A" and resid 168 and name HG )) (( segid " A" and resid 168 and name HN )) 3.500 1.500 1.500 peak 1794 spectrum 1 weight 0.10000E+01 volume 0.38152E-02 ppm1 1.893 ppm2 7.469 CV 1 ASSI { 1795} (( segid " A" and resid 127 and name HB )) (( segid " A" and resid 128 and name HN )) 2.800 1.000 1.000 peak 1795 spectrum 1 weight 0.10000E+01 volume 0.28614E-02 ppm1 4.180 ppm2 7.436 CV 1 ASSI { 1796} (( segid " A" and resid 127 and name HA )) (( segid " A" and resid 128 and name HN )) 3.500 1.500 1.500 peak 1796 spectrum 1 weight 0.10000E+01 volume 0.15081E-02 ppm1 4.003 ppm2 7.441 CV 1 ASSI { 1797} (( segid " A" and resid 235 and name HA )) (( segid " A" and resid 237 and name HN )) 4.200 2.200 1.800 peak 1797 spectrum 1 weight 0.10000E+01 volume 0.24902E-02 ppm1 4.028 ppm2 7.434 CV 1 ASSI { 1798} (( segid " A" and resid 129 and name HA )) (( segid " A" and resid 128 and name HN )) 4.700 2.800 1.300 peak 1798 spectrum 1 weight 0.10000E+01 volume 0.69329E-03 ppm1 3.665 ppm2 7.454 CV 1 ASSI { 1799} (( segid " A" and resid 111 and name HA )) (( segid " A" and resid 113 and name HN )) 3.800 1.800 1.800 peak 1799 spectrum 1 weight 0.10000E+01 volume 0.86391E-03 ppm1 3.904 ppm2 7.431 CV 1 ASSI { 1801} (( segid " A" and resid 256 and name HB1 )) (( segid " A" and resid 237 and name HN )) 3.500 3.500 2.500 peak 1801 spectrum 1 weight 0.10000E+01 volume 0.29929E-02 ppm1 2.170 ppm2 7.441 CV 1 ASSI { 1802} (( segid " A" and resid 112 and name HB2 )) (( segid " A" and resid 113 and name HN )) 3.700 1.700 1.700 peak 1802 spectrum 1 weight 0.10000E+01 volume 0.86724E-03 ppm1 3.063 ppm2 7.435 CV 1 ASSI { 1803} ( segid " A" and resid 127 and name HG2%) (( segid " A" and resid 128 and name HN )) 3.600 1.600 1.600 peak 1803 spectrum 1 weight 0.10000E+01 volume 0.26575E-02 ppm1 1.325 ppm2 7.434 CV 1 ASSI { 1804} ( segid " A" and resid 123 and name HD1%) (( segid " A" and resid 128 and name HN )) 4.600 2.600 1.400 peak 1804 spectrum 1 weight 0.10000E+01 volume 0.13017E-02 ppm1 0.930 ppm2 7.429 CV 1 ASSI { 1805} ( segid " A" and resid 235 and name HG2%) (( segid " A" and resid 237 and name HN )) 2.100 0.600 0.600 peak 1805 spectrum 1 weight 0.10000E+01 volume 0.79616E-02 ppm1 0.578 ppm2 7.446 CV 1 ASSI { 1806} ( segid " A" and resid 255 and name HG2%) (( segid " A" and resid 237 and name HN )) 3.500 1.600 1.600 peak 1806 spectrum 1 weight 0.10000E+01 volume 0.17703E-02 ppm1 0.229 ppm2 7.442 CV 1 ASSI { 1807} ( segid " A" and resid 235 and name HD1%) (( segid " A" and resid 237 and name HN )) 5.600 4.000 0.400 peak 1807 spectrum 1 weight 0.10000E+01 volume 0.11161E-02 ppm1 0.703 ppm2 7.438 CV 1 ASSI { 1808} ( segid " A" and resid 141 and name HD1%) (( segid " A" and resid 128 and name HN )) 3.200 1.300 1.300 peak 1808 spectrum 1 weight 0.10000E+01 volume 0.99375E-03 ppm1 0.739 ppm2 7.429 CV 1 OR { 1808} ( segid " A" and resid 110 and name HD1%) (( segid " A" and resid 109 and name HN )) OR { 1808} ( segid " A" and resid 110 and name HD1%) (( segid " A" and resid 113 and name HN )) OR { 1808} ( segid " A" and resid 198 and name HD1%) (( segid " A" and resid 113 and name HN )) ASSI { 1809} (( segid " A" and resid 112 and name HA )) (( segid " A" and resid 113 and name HN )) 3.500 1.600 1.600 peak 1809 spectrum 1 weight 0.10000E+01 volume 0.12418E-02 ppm1 4.160 ppm2 7.421 CV 1 ASSI { 1810} (( segid " A" and resid 218 and name HA )) (( segid " A" and resid 249 and name HE1 )) 3.900 1.900 1.900 peak 1810 spectrum 1 weight 0.10000E+01 volume 0.86807E-03 ppm1 3.626 ppm2 7.406 CV 1 ASSI { 1811} (( segid " A" and resid 108 and name HB1 )) (( segid " A" and resid 109 and name HN )) 3.900 1.900 1.900 peak 1811 spectrum 1 weight 0.10000E+01 volume 0.19001E-02 ppm1 1.812 ppm2 7.415 CV 1 ASSI { 1812} (( segid " A" and resid 108 and name HB2 )) (( segid " A" and resid 109 and name HN )) 3.100 1.200 1.200 peak 1812 spectrum 1 weight 0.10000E+01 volume 0.16329E-02 ppm1 1.485 ppm2 7.421 CV 1 ASSI { 1813} (( segid " A" and resid 112 and name HB1 )) (( segid " A" and resid 113 and name HN )) 4.800 2.900 1.200 peak 1813 spectrum 1 weight 0.10000E+01 volume 0.60923E-03 ppm1 3.579 ppm2 7.423 CV 1 ASSI { 1814} (( segid " A" and resid 113 and name HG1 )) (( segid " A" and resid 113 and name HN )) 3.000 1.100 1.100 peak 1814 spectrum 1 weight 0.10000E+01 volume 0.20449E-02 ppm1 1.394 ppm2 7.424 CV 1 ASSI { 1815} ( segid " A" and resid 108 and name HD1%) (( segid " A" and resid 109 and name HN )) 5.100 3.200 0.900 peak 1815 spectrum 1 weight 0.10000E+01 volume 0.11277E-02 ppm1 0.835 ppm2 7.417 CV 1 ASSI { 1816} ( segid " A" and resid 272 and name HD1%) ( segid " A" and resid 135 and name HE% ) 3.500 1.600 1.600 peak 1816 spectrum 1 weight 0.10000E+01 volume 0.16546E-02 ppm1 0.810 ppm2 7.398 CV 1 OR { 1816} ( segid " A" and resid 170 and name HD1%) ( segid " A" and resid 135 and name HE% ) OR { 1816} ( segid " A" and resid 170 and name HD1%) (( segid " A" and resid 167 and name HN )) ASSI { 1817} ( segid " A" and resid 183 and name HG2%) (( segid " A" and resid 176 and name HN )) 3.100 3.100 2.900 peak 1817 spectrum 1 weight 0.10000E+01 volume 0.11494E-02 ppm1 0.951 ppm2 7.404 CV 1 OR { 1817} ( segid " A" and resid 211 and name HG2%) (( segid " A" and resid 167 and name HN )) ASSI { 1818} ( segid " A" and resid 183 and name HD1%) (( segid " A" and resid 176 and name HN )) 3.000 3.000 3.000 peak 1818 spectrum 1 weight 0.10000E+01 volume 0.12384E-02 ppm1 0.865 ppm2 7.399 CV 1 ASSI { 1819} (( segid " A" and resid 163 and name HA )) (( segid " A" and resid 167 and name HN )) 4.100 2.100 1.900 peak 1819 spectrum 1 weight 0.10000E+01 volume 0.10412E-02 ppm1 4.140 ppm2 7.390 CV 1 ASSI { 1820} (( segid " A" and resid 176 and name HA )) (( segid " A" and resid 176 and name HN )) 3.000 1.100 1.100 peak 1820 spectrum 1 weight 0.10000E+01 volume 0.26001E-02 ppm1 4.057 ppm2 7.392 CV 1 ASSI { 1821} (( segid " A" and resid 166 and name HA )) (( segid " A" and resid 167 and name HN )) 3.700 1.700 1.700 peak 1821 spectrum 1 weight 0.10000E+01 volume 0.16146E-02 ppm1 3.653 ppm2 7.378 CV 1 ASSI { 1822} (( segid " A" and resid 176 and name HB )) (( segid " A" and resid 176 and name HN )) 3.300 1.400 1.400 peak 1822 spectrum 1 weight 0.10000E+01 volume 0.53158E-02 ppm1 2.074 ppm2 7.394 CV 1 ASSI { 1823} ( segid " A" and resid 272 and name HD1%) ( segid " A" and resid 135 and name HE% ) 3.700 1.700 1.700 peak 1823 spectrum 1 weight 0.10000E+01 volume 0.14257E-02 ppm1 0.795 ppm2 7.379 CV 1 OR { 1823} ( segid " A" and resid 170 and name HD2%) ( segid " A" and resid 135 and name HE% ) OR { 1823} ( segid " A" and resid 170 and name HD1%) ( segid " A" and resid 135 and name HE% ) OR { 1823} ( segid " A" and resid 170 and name HD2%) (( segid " A" and resid 167 and name HN )) OR { 1823} ( segid " A" and resid 170 and name HD1%) (( segid " A" and resid 167 and name HN )) ASSI { 1824} ( segid " A" and resid 176 and name HG1%) (( segid " A" and resid 176 and name HN )) 3.000 1.100 1.100 peak 1824 spectrum 1 weight 0.10000E+01 volume 0.69213E-02 ppm1 1.028 ppm2 7.394 CV 1 ASSI { 1825} ( segid " A" and resid 176 and name HG2%) (( segid " A" and resid 176 and name HN )) 2.900 1.000 1.000 peak 1825 spectrum 1 weight 0.10000E+01 volume 0.49346E-02 ppm1 0.897 ppm2 7.394 CV 1 ASSI { 1826} ( segid " A" and resid 286 and name HG2%) (( segid " A" and resid 167 and name HN )) 3.800 1.800 1.800 peak 1826 spectrum 1 weight 0.10000E+01 volume 0.16238E-02 ppm1 0.559 ppm2 7.377 CV 1 ASSI { 1827} ( segid " A" and resid 275 and name HD2%) (( segid " A" and resid 225 and name HN )) 2.900 2.900 3.100 peak 1827 spectrum 1 weight 0.10000E+01 volume 0.17819E-02 ppm1 0.980 ppm2 7.346 CV 1 ASSI { 1828} ( segid " A" and resid 220 and name HD1%) (( segid " A" and resid 225 and name HN )) 4.300 2.300 1.700 peak 1828 spectrum 1 weight 0.10000E+01 volume 0.14240E-02 ppm1 0.802 ppm2 7.352 CV 1 ASSI { 1829} ( segid " A" and resid 286 and name HG1%) (( segid " A" and resid 167 and name HN )) 4.800 2.900 1.200 peak 1829 spectrum 1 weight 0.10000E+01 volume 0.12235E-02 ppm1 0.792 ppm2 7.366 CV 1 ASSI { 1830} ( segid " A" and resid 240 and name HD2%) (( segid " A" and resid 225 and name HN )) 3.100 1.200 1.200 peak 1830 spectrum 1 weight 0.10000E+01 volume 0.10778E-02 ppm1 0.107 ppm2 7.342 CV 1 ASSI { 1831} ( segid " A" and resid 285 and name HB% ) ( segid " A" and resid 254 and name HE% ) 3.100 1.200 1.200 peak 1831 spectrum 1 weight 0.10000E+01 volume 0.37677E-02 ppm1 1.525 ppm2 7.343 CV 1 ASSI { 1832} ( segid " A" and resid 255 and name HD1%) (( segid " A" and resid 225 and name HN )) 3.300 1.400 1.400 peak 1832 spectrum 1 weight 0.10000E+01 volume 0.74323E-03 ppm1 -0.129 ppm2 7.350 CV 1 ASSI { 1833} (( segid " A" and resid 204 and name HA )) (( segid " A" and resid 207 and name HN )) 3.600 1.700 1.700 peak 1833 spectrum 1 weight 0.10000E+01 volume 0.10137E-02 ppm1 4.058 ppm2 7.320 CV 1 ASSI { 1834} (( segid " A" and resid 265 and name HA )) (( segid " A" and resid 264 and name HN )) 4.900 3.000 1.100 peak 1834 spectrum 1 weight 0.10000E+01 volume 0.82313E-03 ppm1 4.261 ppm2 7.309 CV 1 ASSI { 1835} ( segid " A" and resid 267 and name HG2%) (( segid " A" and resid 264 and name HN )) 3.400 1.400 1.400 peak 1835 spectrum 1 weight 0.10000E+01 volume 0.93216E-03 ppm1 1.008 ppm2 7.316 CV 1 OR { 1835} ( segid " A" and resid 267 and name HG2%) ( segid " A" and resid 254 and name HE% ) ASSI { 1836} ( segid " A" and resid 213 and name HG1%) ( segid " A" and resid 254 and name HE% ) 4.300 2.400 1.700 peak 1836 spectrum 1 weight 0.10000E+01 volume 0.15905E-02 ppm1 0.382 ppm2 7.318 CV 1 OR { 1836} ( segid " A" and resid 216 and name HG2%) ( segid " A" and resid 254 and name HE% ) ASSI { 1837} (( segid " A" and resid 205 and name HA )) (( segid " A" and resid 207 and name HN )) 3.200 1.300 1.300 peak 1837 spectrum 1 weight 0.10000E+01 volume 0.35980E-02 ppm1 3.867 ppm2 7.301 CV 1 ASSI { 1838} ( segid " A" and resid 266 and name HB% ) (( segid " A" and resid 264 and name HN )) 2.900 2.900 3.100 peak 1838 spectrum 1 weight 0.10000E+01 volume 0.21090E-02 ppm1 1.338 ppm2 7.297 CV 1 OR { 1838} ( segid " A" and resid 266 and name HB% ) ( segid " A" and resid 254 and name HD% ) ASSI { 1839} ( segid " A" and resid 211 and name HG2%) (( segid " A" and resid 264 and name HN )) 4.300 2.300 1.700 peak 1839 spectrum 1 weight 0.10000E+01 volume 0.79400E-03 ppm1 0.970 ppm2 7.305 CV 1 ASSI { 1840} (( segid " A" and resid 210 and name HG2 )) ( segid " A" and resid 254 and name HD% ) 3.200 1.300 1.300 peak 1840 spectrum 1 weight 0.10000E+01 volume 0.19217E-02 ppm1 1.746 ppm2 7.267 CV 1 ASSI { 1841} ( segid " A" and resid 108 and name HD2%) (( segid " A" and resid 112 and name HN )) 4.800 2.900 1.200 peak 1841 spectrum 1 weight 0.10000E+01 volume 0.96628E-03 ppm1 0.881 ppm2 7.255 CV 1 OR { 1841} ( segid " A" and resid 108 and name HD2%) (( segid " A" and resid 287 and name HN )) ASSI { 1842} (( segid " A" and resid 109 and name HA )) (( segid " A" and resid 112 and name HN )) 3.400 1.400 1.400 peak 1842 spectrum 1 weight 0.10000E+01 volume 0.19642E-02 ppm1 4.115 ppm2 7.235 CV 1 ASSI { 1843} (( segid " A" and resid 173 and name HA )) (( segid " A" and resid 174 and name HN )) 4.000 2.000 2.000 peak 1843 spectrum 1 weight 0.10000E+01 volume 0.62088E-03 ppm1 5.029 ppm2 7.240 CV 1 ASSI { 1844} (( segid " A" and resid 112 and name HB1 )) (( segid " A" and resid 112 and name HN )) 3.800 1.800 1.800 peak 1844 spectrum 1 weight 0.10000E+01 volume 0.22463E-02 ppm1 3.584 ppm2 7.240 CV 1 ASSI { 1845} (( segid " A" and resid 112 and name HB2 )) (( segid " A" and resid 112 and name HN )) 2.800 1.000 1.000 peak 1845 spectrum 1 weight 0.10000E+01 volume 0.34515E-02 ppm1 3.069 ppm2 7.237 CV 1 ASSI { 1846} ( segid " A" and resid 286 and name HG1%) (( segid " A" and resid 287 and name HN )) 4.400 2.400 1.600 peak 1846 spectrum 1 weight 0.10000E+01 volume 0.21090E-02 ppm1 0.794 ppm2 7.236 CV 1 ASSI { 1847} ( segid " A" and resid 285 and name HB% ) (( segid " A" and resid 287 and name HN )) 2.700 0.900 0.900 peak 1847 spectrum 1 weight 0.10000E+01 volume 0.87307E-02 ppm1 1.525 ppm2 7.235 CV 1 ASSI { 1848} ( segid " A" and resid 286 and name HG2%) (( segid " A" and resid 287 and name HN )) 2.700 0.900 0.900 peak 1848 spectrum 1 weight 0.10000E+01 volume 0.54232E-02 ppm1 0.558 ppm2 7.236 CV 1 ASSI { 1849} ( segid " A" and resid 109 and name HB% ) (( segid " A" and resid 112 and name HN )) 4.300 2.400 1.700 peak 1849 spectrum 1 weight 0.10000E+01 volume 0.13799E-02 ppm1 1.447 ppm2 7.241 CV 1 ASSI { 1850} (( segid " A" and resid 174 and name HB2 )) (( segid " A" and resid 174 and name HN )) 4.100 2.100 1.900 peak 1850 spectrum 1 weight 0.10000E+01 volume 0.12884E-02 ppm1 2.973 ppm2 7.216 CV 1 ASSI { 1851} (( segid " A" and resid 174 and name HB1 )) (( segid " A" and resid 174 and name HN )) 3.400 1.400 1.400 peak 1851 spectrum 1 weight 0.10000E+01 volume 0.14407E-02 ppm1 2.882 ppm2 7.211 CV 1 ASSI { 1852} ( segid " A" and resid 225 and name HD1%) (( segid " A" and resid 228 and name HN )) 4.700 2.700 1.300 peak 1852 spectrum 1 weight 0.10000E+01 volume 0.89221E-03 ppm1 0.631 ppm2 7.191 CV 1 ASSI { 1853} (( segid " A" and resid 225 and name HA )) (( segid " A" and resid 228 and name HN )) 3.100 1.200 1.200 peak 1853 spectrum 1 weight 0.10000E+01 volume 0.22696E-02 ppm1 3.945 ppm2 7.186 CV 1 ASSI { 1854} ( segid " A" and resid 275 and name HD2%) (( segid " A" and resid 228 and name HN )) 2.700 2.700 3.300 peak 1854 spectrum 1 weight 0.10000E+01 volume 0.27041E-02 ppm1 0.979 ppm2 7.190 CV 1 ASSI { 1855} ( segid " A" and resid 225 and name HG2%) (( segid " A" and resid 228 and name HN )) 4.200 2.200 1.800 peak 1855 spectrum 1 weight 0.10000E+01 volume 0.11461E-02 ppm1 0.638 ppm2 7.184 CV 1 ASSI { 1856} (( segid " A" and resid 196 and name HD2 )) (( segid " A" and resid 197 and name HN )) 3.200 1.300 1.300 peak 1856 spectrum 1 weight 0.10000E+01 volume 0.10171E-02 ppm1 3.689 ppm2 7.158 CV 1 ASSI { 1857} (( segid " A" and resid 196 and name HD1 )) (( segid " A" and resid 197 and name HN )) 4.200 2.200 1.800 peak 1857 spectrum 1 weight 0.10000E+01 volume 0.16779E-02 ppm1 3.514 ppm2 7.155 CV 1 ASSI { 1858} (( segid " A" and resid 216 and name HB )) (( segid " A" and resid 252 and name HN )) 3.800 1.800 1.800 peak 1858 spectrum 1 weight 0.10000E+01 volume 0.11327E-02 ppm1 1.296 ppm2 7.147 CV 1 ASSI { 1859} (( segid " A" and resid 196 and name HB2 )) (( segid " A" and resid 197 and name HN )) 3.000 1.100 1.100 peak 1859 spectrum 1 weight 0.10000E+01 volume 0.14374E-02 ppm1 2.391 ppm2 7.150 CV 1 ASSI { 1860} (( segid " A" and resid 196 and name HB1 )) (( segid " A" and resid 197 and name HN )) 4.200 2.200 1.800 peak 1860 spectrum 1 weight 0.10000E+01 volume 0.23362E-02 ppm1 1.769 ppm2 7.153 CV 1 ASSI { 1861} (( segid " A" and resid 196 and name HG1 )) (( segid " A" and resid 197 and name HN )) 4.700 2.800 1.300 peak 1861 spectrum 1 weight 0.10000E+01 volume 0.14140E-02 ppm1 2.085 ppm2 7.140 CV 1 ASSI { 1862} (( segid " A" and resid 196 and name HG2 )) (( segid " A" and resid 197 and name HN )) 4.400 2.400 1.600 peak 1862 spectrum 1 weight 0.10000E+01 volume 0.99708E-03 ppm1 2.004 ppm2 7.152 CV 1 ASSI { 1863} ( segid " A" and resid 216 and name HG2%) (( segid " A" and resid 252 and name HN )) 4.000 2.000 2.000 peak 1863 spectrum 1 weight 0.10000E+01 volume 0.14981E-02 ppm1 0.383 ppm2 7.143 CV 1 ASSI { 1864} ( segid " A" and resid 240 and name HD2%) (( segid " A" and resid 252 and name HN )) 3.600 1.700 1.700 peak 1864 spectrum 1 weight 0.10000E+01 volume 0.16945E-02 ppm1 0.108 ppm2 7.144 CV 1 ASSI { 1865} ( segid " A" and resid 241 and name HB% ) (( segid " A" and resid 252 and name HN )) 3.400 1.400 1.400 peak 1865 spectrum 1 weight 0.10000E+01 volume 0.19975E-02 ppm1 0.779 ppm2 7.145 CV 1 ASSI { 1867} (( segid " A" and resid 249 and name HB2 )) (( segid " A" and resid 249 and name HD2 )) 4.700 2.700 1.300 peak 1867 spectrum 1 weight 0.10000E+01 volume 0.88472E-03 ppm1 2.594 ppm2 7.071 CV 1 ASSI { 1868} ( segid " A" and resid 235 and name HD1%) (( segid " A" and resid 231 and name HN )) 3.100 1.200 1.200 peak 1868 spectrum 1 weight 0.10000E+01 volume 0.11361E-02 ppm1 0.699 ppm2 7.064 CV 1 ASSI { 1869} (( segid " A" and resid 264 and name HB2 )) (( segid " A" and resid 263 and name HN )) 4.800 2.800 1.200 peak 1869 spectrum 1 weight 0.10000E+01 volume 0.91884E-03 ppm1 2.085 ppm2 6.924 CV 1 OR { 1869} (( segid " A" and resid 264 and name HB1 )) (( segid " A" and resid 263 and name HN )) ASSI { 1870} (( segid " A" and resid 281 and name HG1 )) (( segid " A" and resid 172 and name HE22)) 4.300 2.300 1.700 peak 1870 spectrum 1 weight 0.10000E+01 volume 0.14124E-02 ppm1 1.538 ppm2 6.896 CV 1 OR { 1870} (( segid " A" and resid 225 and name HG12)) (( segid " A" and resid 229 and name HZ )) ASSI { 1871} ( segid " A" and resid 168 and name HD1%) (( segid " A" and resid 172 and name HE22)) 3.200 1.300 1.300 peak 1871 spectrum 1 weight 0.10000E+01 volume 0.38768E-02 ppm1 0.910 ppm2 6.894 CV 1 ASSI { 1872} (( segid " A" and resid 161 and name HA )) (( segid " A" and resid 162 and name HN )) 3.500 1.500 1.500 peak 1872 spectrum 1 weight 0.10000E+01 volume 0.17020E-02 ppm1 4.211 ppm2 6.851 CV 1 ASSI { 1873} (( segid " A" and resid 161 and name HB2 )) (( segid " A" and resid 162 and name HN )) 3.200 1.300 1.300 peak 1873 spectrum 1 weight 0.10000E+01 volume 0.18294E-02 ppm1 2.230 ppm2 6.854 CV 1 ASSI { 1874} ( segid " A" and resid 165 and name HB% ) (( segid " A" and resid 162 and name HN )) 3.300 1.400 1.400 peak 1874 spectrum 1 weight 0.10000E+01 volume 0.42055E-02 ppm1 0.656 ppm2 6.856 CV 1 ASSI { 1875} ( segid " A" and resid 198 and name HG2%) (( segid " A" and resid 195 and name HE21)) 3.600 1.600 1.600 peak 1875 spectrum 1 weight 0.10000E+01 volume 0.33092E-02 ppm1 0.932 ppm2 6.571 CV 1 ASSI { 1876} (( segid " A" and resid 272 and name HG )) (( segid " A" and resid 271 and name HD22)) 3.100 1.200 1.200 peak 1876 spectrum 1 weight 0.10000E+01 volume 0.17636E-02 ppm1 1.504 ppm2 6.428 CV 1 ASSI { 1877} (( segid " A" and resid 164 and name HA )) (( segid " A" and resid 165 and name HN )) 3.800 1.800 1.800 peak 1877 spectrum 1 weight 0.10000E+01 volume 0.12168E-02 ppm1 3.312 ppm2 6.330 CV 1 ASSI { 1878} ( segid " A" and resid 162 and name HG2%) (( segid " A" and resid 165 and name HN )) 2.200 0.600 0.600 peak 1878 spectrum 1 weight 0.10000E+01 volume 0.12617E-01 ppm1 0.762 ppm2 6.329 CV 1 ASSI { 1879} ( segid " A" and resid 166 and name HB% ) (( segid " A" and resid 165 and name HN )) 3.900 1.900 1.900 peak 1879 spectrum 1 weight 0.10000E+01 volume 0.28614E-02 ppm1 1.466 ppm2 6.334 CV 1 ASSI { 1880} (( segid " A" and resid 163 and name HA )) (( segid " A" and resid 166 and name HN )) 3.400 1.500 1.500 peak 1880 spectrum 1 weight 0.10000E+01 volume 0.14357E-02 ppm1 4.145 ppm2 5.933 CV 1 ASSI { 1881} (( segid " A" and resid 164 and name HA )) (( segid " A" and resid 166 and name HN )) 3.900 1.900 1.900 peak 1881 spectrum 1 weight 0.10000E+01 volume 0.76237E-03 ppm1 3.316 ppm2 5.950 CV 1 ASSI { 1882} ( segid " A" and resid 114 and name HG1%) (( segid " A" and resid 166 and name HN )) 4.800 2.900 1.200 peak 1882 spectrum 1 weight 0.10000E+01 volume 0.92300E-03 ppm1 0.898 ppm2 5.936 CV 1 ASSI { 1883} ( segid " A" and resid 162 and name HG2%) (( segid " A" and resid 166 and name HN )) 3.900 1.900 1.900 peak 1883 spectrum 1 weight 0.10000E+01 volume 0.22563E-02 ppm1 0.763 ppm2 5.936 CV 1 ASSI { 1884} ( segid " A" and resid 165 and name HB% ) (( segid " A" and resid 166 and name HN )) 2.900 1.000 1.000 peak 1884 spectrum 1 weight 0.10000E+01 volume 0.46874E-02 ppm1 0.655 ppm2 5.931 CV 1 ASSI { 1885} ( segid " A" and resid 213 and name HG1%) (( segid " A" and resid 254 and name HA )) 3.700 1.700 1.700 peak 1885 spectrum 1 weight 0.10000E+01 volume 0.11477E-02 ppm1 0.381 ppm2 5.771 CV 1 ASSI { 1886} ( segid " A" and resid 255 and name HD1%) (( segid " A" and resid 254 and name HA )) 3.300 1.400 1.400 peak 1886 spectrum 1 weight 0.10000E+01 volume 0.72575E-03 ppm1 -0.128 ppm2 5.776 CV 1 ASSI { 1888} (( segid " A" and resid 255 and name HB )) (( segid " A" and resid 254 and name HA )) 4.300 2.300 1.700 peak 1888 spectrum 1 weight 0.10000E+01 volume 0.92883E-03 ppm1 1.227 ppm2 5.746 CV 1 OR { 1888} (( segid " A" and resid 255 and name HB )) (( segid " A" and resid 210 and name HA )) ASSI { 1889} (( segid " A" and resid 256 and name HG1 )) (( segid " A" and resid 210 and name HA )) 4.100 2.200 1.900 peak 1889 spectrum 1 weight 0.10000E+01 volume 0.99375E-03 ppm1 2.266 ppm2 5.729 CV 1 ASSI { 1890} (( segid " A" and resid 256 and name HB2 )) (( segid " A" and resid 210 and name HA )) 5.000 3.200 1.000 peak 1890 spectrum 1 weight 0.10000E+01 volume 0.87057E-03 ppm1 1.780 ppm2 5.740 CV 1 ASSI { 1891} ( segid " A" and resid 285 and name HB% ) (( segid " A" and resid 210 and name HA )) 3.000 1.100 1.100 peak 1891 spectrum 1 weight 0.10000E+01 volume 0.12617E-02 ppm1 1.524 ppm2 5.739 CV 1 ASSI { 1892} ( segid " A" and resid 211 and name HG2%) (( segid " A" and resid 210 and name HA )) 3.400 1.400 1.400 peak 1892 spectrum 1 weight 0.10000E+01 volume 0.14207E-02 ppm1 0.971 ppm2 5.739 CV 1 ASSI { 1893} ( segid " A" and resid 255 and name HG2%) (( segid " A" and resid 210 and name HA )) 4.100 2.100 1.900 peak 1893 spectrum 1 weight 0.10000E+01 volume 0.10612E-02 ppm1 0.227 ppm2 5.756 CV 1 ASSI { 1894} (( segid " A" and resid 256 and name HG2 )) (( segid " A" and resid 210 and name HA )) 3.500 1.500 1.500 peak 1894 spectrum 1 weight 0.10000E+01 volume 0.96628E-03 ppm1 2.162 ppm2 5.722 CV 1 ASSI { 1895} (( segid " A" and resid 214 and name HA )) (( segid " A" and resid 252 and name HA )) 2.500 0.800 0.800 peak 1895 spectrum 1 weight 0.10000E+01 volume 0.52625E-02 ppm1 5.098 ppm2 5.620 CV 1 ASSI { 1896} ( segid " A" and resid 216 and name HG2%) (( segid " A" and resid 252 and name HA )) 2.600 0.900 0.900 peak 1896 spectrum 1 weight 0.10000E+01 volume 0.43262E-02 ppm1 0.382 ppm2 5.619 CV 1 ASSI { 1897} ( segid " A" and resid 240 and name HD2%) (( segid " A" and resid 252 and name HA )) 3.900 1.900 1.900 peak 1897 spectrum 1 weight 0.10000E+01 volume 0.13916E-02 ppm1 0.106 ppm2 5.617 CV 1 ASSI { 1898} ( segid " A" and resid 213 and name HG2%) (( segid " A" and resid 252 and name HA )) 3.900 1.900 1.900 peak 1898 spectrum 1 weight 0.10000E+01 volume 0.15314E-02 ppm1 0.443 ppm2 5.618 CV 1 ASSI { 1899} ( segid " A" and resid 214 and name HB% ) (( segid " A" and resid 252 and name HA )) 3.800 1.800 1.800 peak 1899 spectrum 1 weight 0.10000E+01 volume 0.35980E-02 ppm1 1.267 ppm2 5.609 CV 1 ASSI { 1900} (( segid " A" and resid 155 and name HB1 )) (( segid " A" and resid 155 and name HA )) 3.100 1.200 1.200 peak 1900 spectrum 1 weight 0.10000E+01 volume 0.21956E-02 ppm1 2.949 ppm2 5.504 CV 1 ASSI { 1901} (( segid " A" and resid 155 and name HB2 )) (( segid " A" and resid 155 and name HA )) 3.500 1.500 1.500 peak 1901 spectrum 1 weight 0.10000E+01 volume 0.18269E-02 ppm1 2.763 ppm2 5.507 CV 1 ASSI { 1905} (( segid " A" and resid 158 and name HB )) (( segid " A" and resid 157 and name HA )) 4.500 2.500 1.500 peak 1905 spectrum 1 weight 0.10000E+01 volume 0.15031E-02 ppm1 1.436 ppm2 5.445 CV 1 ASSI { 1906} ( segid " A" and resid 116 and name HG1%) (( segid " A" and resid 157 and name HA )) 4.100 2.100 1.900 peak 1906 spectrum 1 weight 0.10000E+01 volume 0.12634E-02 ppm1 0.293 ppm2 5.453 CV 1 ASSI { 1908} (( segid " A" and resid 113 and name HB1 )) (( segid " A" and resid 113 and name HA )) 2.900 1.000 1.000 peak 1908 spectrum 1 weight 0.10000E+01 volume 0.21789E-02 ppm1 1.813 ppm2 5.376 CV 1 ASSI { 1909} ( segid " A" and resid 168 and name HD2%) (( segid " A" and resid 282 and name HA )) 3.200 1.300 1.300 peak 1909 spectrum 1 weight 0.10000E+01 volume 0.20141E-02 ppm1 1.024 ppm2 5.387 CV 1 ASSI { 1910} ( segid " A" and resid 240 and name HD1%) (( segid " A" and resid 249 and name HA )) 5.000 3.100 1.000 peak 1910 spectrum 1 weight 0.10000E+01 volume 0.70494E-03 ppm1 -0.052 ppm2 5.384 CV 1 ASSI { 1911} ( segid " A" and resid 168 and name HD1%) (( segid " A" and resid 282 and name HA )) 3.500 1.500 1.500 peak 1911 spectrum 1 weight 0.10000E+01 volume 0.18651E-02 ppm1 0.908 ppm2 5.388 CV 1 ASSI { 1912} ( segid " A" and resid 213 and name HG1%) (( segid " A" and resid 282 and name HA )) 3.300 1.300 1.300 peak 1912 spectrum 1 weight 0.10000E+01 volume 0.21323E-02 ppm1 0.385 ppm2 5.389 CV 1 ASSI { 1913} ( segid " A" and resid 213 and name HG2%) (( segid " A" and resid 282 and name HA )) 4.700 2.700 1.300 peak 1913 spectrum 1 weight 0.10000E+01 volume 0.17511E-02 ppm1 0.443 ppm2 5.388 CV 1 ASSI { 1915} (( segid " A" and resid 243 and name HB1 )) (( segid " A" and resid 249 and name HA )) 5.400 3.600 0.600 peak 1915 spectrum 1 weight 0.10000E+01 volume 0.73324E-03 ppm1 3.156 ppm2 5.367 CV 1 OR { 1915} (( segid " A" and resid 160 and name HB1 )) (( segid " A" and resid 113 and name HA )) OR { 1915} (( segid " A" and resid 281 and name HD1 )) (( segid " A" and resid 282 and name HA )) ASSI { 1916} (( segid " A" and resid 242 and name HD2 )) (( segid " A" and resid 249 and name HA )) 3.900 1.900 1.900 peak 1916 spectrum 1 weight 0.10000E+01 volume 0.15505E-02 ppm1 3.037 ppm2 5.372 CV 1 ASSI { 1917} (( segid " A" and resid 242 and name HD1 )) (( segid " A" and resid 249 and name HA )) 3.800 1.800 1.800 peak 1917 spectrum 1 weight 0.10000E+01 volume 0.20000E-02 ppm1 2.963 ppm2 5.368 CV 1 ASSI { 1918} (( segid " A" and resid 159 and name HG1 )) (( segid " A" and resid 113 and name HA )) 4.200 2.200 1.800 peak 1918 spectrum 1 weight 0.10000E+01 volume 0.12634E-02 ppm1 2.025 ppm2 5.366 CV 1 OR { 1918} (( segid " A" and resid 159 and name HG2 )) (( segid " A" and resid 113 and name HA )) ASSI { 1919} (( segid " A" and resid 185 and name HB )) (( segid " A" and resid 185 and name HA )) 2.900 1.000 1.000 peak 1919 spectrum 1 weight 0.10000E+01 volume 0.34273E-02 ppm1 1.895 ppm2 5.351 CV 1 ASSI { 1921} (( segid " A" and resid 242 and name HB1 )) (( segid " A" and resid 249 and name HA )) 3.800 1.800 1.800 peak 1921 spectrum 1 weight 0.10000E+01 volume 0.12384E-02 ppm1 1.627 ppm2 5.374 CV 1 ASSI { 1924} (( segid " A" and resid 113 and name HG1 )) (( segid " A" and resid 113 and name HA )) 3.400 1.400 1.400 peak 1924 spectrum 1 weight 0.10000E+01 volume 0.22929E-02 ppm1 1.394 ppm2 5.367 CV 1 ASSI { 1925} ( segid " A" and resid 170 and name HD1%) (( segid " A" and resid 185 and name HA )) 4.300 2.300 1.700 peak 1925 spectrum 1 weight 0.10000E+01 volume 0.12368E-02 ppm1 0.805 ppm2 5.367 CV 1 ASSI { 1926} ( segid " A" and resid 114 and name HG2%) (( segid " A" and resid 185 and name HA )) 3.300 1.300 1.300 peak 1926 spectrum 1 weight 0.10000E+01 volume 0.27440E-02 ppm1 0.929 ppm2 5.365 CV 1 ASSI { 1927} ( segid " A" and resid 116 and name HG1%) (( segid " A" and resid 185 and name HA )) 3.400 1.400 1.400 peak 1927 spectrum 1 weight 0.10000E+01 volume 0.17370E-02 ppm1 0.291 ppm2 5.355 CV 1 ASSI { 1928} ( segid " A" and resid 114 and name HG1%) (( segid " A" and resid 185 and name HA )) 3.500 1.500 1.500 peak 1928 spectrum 1 weight 0.10000E+01 volume 0.28614E-02 ppm1 0.899 ppm2 5.369 CV 1 ASSI { 1929} (( segid " A" and resid 282 and name HB )) (( segid " A" and resid 281 and name HA )) 4.300 2.300 1.700 peak 1929 spectrum 1 weight 0.10000E+01 volume 0.12010E-02 ppm1 1.809 ppm2 5.246 CV 1 ASSI { 1930} ( segid " A" and resid 168 and name HD1%) (( segid " A" and resid 281 and name HA )) 4.000 2.000 2.000 peak 1930 spectrum 1 weight 0.10000E+01 volume 0.12967E-02 ppm1 0.909 ppm2 5.242 CV 1 ASSI { 1931} ( segid " A" and resid 214 and name HB% ) (( segid " A" and resid 281 and name HA )) 5.000 3.100 1.000 peak 1931 spectrum 1 weight 0.10000E+01 volume 0.10778E-02 ppm1 1.265 ppm2 5.238 CV 1 ASSI { 1932} ( segid " A" and resid 272 and name HD2%) (( segid " A" and resid 281 and name HA )) 3.700 1.700 1.700 peak 1932 spectrum 1 weight 0.10000E+01 volume 0.19001E-02 ppm1 0.712 ppm2 5.241 CV 1 ASSI { 1933} ( segid " A" and resid 165 and name HB% ) (( segid " A" and resid 214 and name HA )) 3.800 1.800 1.800 peak 1933 spectrum 1 weight 0.10000E+01 volume 0.12268E-02 ppm1 0.660 ppm2 5.116 CV 1 OR { 1933} ( segid " A" and resid 165 and name HB% ) (( segid " A" and resid 160 and name HA )) ASSI { 1934} (( segid " A" and resid 138 and name HA )) (( segid " A" and resid 160 and name HA )) 2.400 0.700 0.700 peak 1934 spectrum 1 weight 0.10000E+01 volume 0.43861E-02 ppm1 3.764 ppm2 5.106 CV 1 ASSI { 1935} (( segid " A" and resid 215 and name HA )) (( segid " A" and resid 214 and name HA )) 4.700 2.800 1.300 peak 1935 spectrum 1 weight 0.10000E+01 volume 0.14915E-02 ppm1 3.845 ppm2 5.092 CV 1 ASSI { 1936} (( segid " A" and resid 161 and name HA )) (( segid " A" and resid 160 and name HA )) 4.200 2.200 1.800 peak 1936 spectrum 1 weight 0.10000E+01 volume 0.97044E-03 ppm1 4.209 ppm2 5.110 CV 1 ASSI { 1937} (( segid " A" and resid 139 and name HA )) (( segid " A" and resid 160 and name HA )) 5.100 3.300 0.900 peak 1937 spectrum 1 weight 0.10000E+01 volume 0.80232E-03 ppm1 4.318 ppm2 5.096 CV 1 ASSI { 1939} (( segid " A" and resid 161 and name HB2 )) (( segid " A" and resid 160 and name HA )) 4.700 2.700 1.300 peak 1939 spectrum 1 weight 0.10000E+01 volume 0.11261E-02 ppm1 2.222 ppm2 5.096 CV 1 ASSI { 1940} ( segid " A" and resid 216 and name HG2%) (( segid " A" and resid 214 and name HA )) 2.800 1.000 1.000 peak 1940 spectrum 1 weight 0.10000E+01 volume 0.47806E-02 ppm1 0.381 ppm2 5.092 CV 1 ASSI { 1941} ( segid " A" and resid 158 and name HG1%) (( segid " A" and resid 160 and name HA )) 4.000 2.000 2.000 peak 1941 spectrum 1 weight 0.10000E+01 volume 0.94048E-03 ppm1 0.135 ppm2 5.106 CV 1 ASSI { 1942} ( segid " A" and resid 162 and name HG2%) (( segid " A" and resid 214 and name HA )) 4.100 2.100 1.900 peak 1942 spectrum 1 weight 0.10000E+01 volume 0.94048E-03 ppm1 0.763 ppm2 5.100 CV 1 OR { 1942} ( segid " A" and resid 162 and name HG2%) (( segid " A" and resid 160 and name HA )) ASSI { 1943} ( segid " A" and resid 138 and name HG2%) (( segid " A" and resid 160 and name HA )) 3.900 1.900 1.900 peak 1943 spectrum 1 weight 0.10000E+01 volume 0.18127E-02 ppm1 0.541 ppm2 5.102 CV 1 ASSI { 1944} ( segid " A" and resid 138 and name HD1%) (( segid " A" and resid 160 and name HA )) 5.300 3.600 0.700 peak 1944 spectrum 1 weight 0.10000E+01 volume 0.85975E-03 ppm1 0.774 ppm2 5.097 CV 1 ASSI { 1946} ( segid " A" and resid 267 and name HG2%) (( segid " A" and resid 211 and name HA )) 3.900 1.900 1.900 peak 1946 spectrum 1 weight 0.10000E+01 volume 0.24802E-02 ppm1 1.004 ppm2 5.071 CV 1 ASSI { 1947} ( segid " A" and resid 285 and name HB% ) (( segid " A" and resid 211 and name HA )) 3.000 1.100 1.100 peak 1947 spectrum 1 weight 0.10000E+01 volume 0.25235E-02 ppm1 1.524 ppm2 5.067 CV 1 ASSI { 1948} (( segid " A" and resid 210 and name HA )) (( segid " A" and resid 256 and name HA )) 2.600 0.800 0.800 peak 1948 spectrum 1 weight 0.10000E+01 volume 0.31111E-02 ppm1 5.736 ppm2 5.039 CV 1 ASSI { 1949} (( segid " A" and resid 256 and name HG1 )) (( segid " A" and resid 256 and name HA )) 3.400 1.400 1.400 peak 1949 spectrum 1 weight 0.10000E+01 volume 0.21123E-02 ppm1 2.268 ppm2 5.033 CV 1 ASSI { 1950} (( segid " A" and resid 256 and name HG2 )) (( segid " A" and resid 256 and name HA )) 3.100 1.200 1.200 peak 1950 spectrum 1 weight 0.10000E+01 volume 0.21290E-02 ppm1 2.160 ppm2 5.034 CV 1 ASSI { 1953} (( segid " A" and resid 210 and name HG1 )) (( segid " A" and resid 256 and name HA )) 4.000 2.000 2.000 peak 1953 spectrum 1 weight 0.10000E+01 volume 0.11744E-02 ppm1 1.473 ppm2 5.039 CV 1 ASSI { 1954} ( segid " A" and resid 185 and name HG1%) (( segid " A" and resid 173 and name HA )) 2.100 2.100 3.900 peak 1954 spectrum 1 weight 0.10000E+01 volume 0.10404E-01 ppm1 1.026 ppm2 5.036 CV 1 OR { 1954} ( segid " A" and resid 176 and name HG1%) (( segid " A" and resid 173 and name HA )) ASSI { 1955} ( segid " A" and resid 176 and name HG2%) (( segid " A" and resid 173 and name HA )) 2.500 2.500 3.500 peak 1955 spectrum 1 weight 0.10000E+01 volume 0.51285E-02 ppm1 0.898 ppm2 5.038 CV 1 OR { 1955} ( segid " A" and resid 148 and name HG2%) (( segid " A" and resid 152 and name HA )) ASSI { 1956} ( segid " A" and resid 173 and name HE% ) (( segid " A" and resid 173 and name HA )) 4.100 2.100 1.900 peak 1956 spectrum 1 weight 0.10000E+01 volume 0.36546E-02 ppm1 1.396 ppm2 5.038 CV 1 ASSI { 1957} ( segid " A" and resid 183 and name HD1%) (( segid " A" and resid 173 and name HA )) 3.100 3.100 2.900 peak 1957 spectrum 1 weight 0.10000E+01 volume 0.11710E-02 ppm1 0.872 ppm2 5.041 CV 1 ASSI { 1958} (( segid " A" and resid 113 and name HA )) (( segid " A" and resid 159 and name HA )) 2.500 0.800 0.800 peak 1958 spectrum 1 weight 0.10000E+01 volume 0.43129E-02 ppm1 5.374 ppm2 5.011 CV 1 ASSI { 1959} (( segid " A" and resid 159 and name HG1 )) (( segid " A" and resid 159 and name HA )) 2.900 1.000 1.000 peak 1959 spectrum 1 weight 0.10000E+01 volume 0.36970E-02 ppm1 2.030 ppm2 5.006 CV 1 OR { 1959} (( segid " A" and resid 159 and name HG2 )) (( segid " A" and resid 159 and name HA )) ASSI { 1960} (( segid " A" and resid 159 and name HB2 )) (( segid " A" and resid 159 and name HA )) 2.900 1.000 1.000 peak 1960 spectrum 1 weight 0.10000E+01 volume 0.21922E-02 ppm1 2.050 ppm2 5.007 CV 1 ASSI { 1961} (( segid " A" and resid 159 and name HB1 )) (( segid " A" and resid 159 and name HA )) 3.300 1.300 1.300 peak 1961 spectrum 1 weight 0.10000E+01 volume 0.24369E-02 ppm1 1.695 ppm2 5.008 CV 1 ASSI { 1962} (( segid " A" and resid 113 and name HG1 )) (( segid " A" and resid 159 and name HA )) 4.200 2.200 1.800 peak 1962 spectrum 1 weight 0.10000E+01 volume 0.16329E-02 ppm1 1.389 ppm2 5.007 CV 1 ASSI { 1963} ( segid " A" and resid 158 and name HG1%) (( segid " A" and resid 159 and name HA )) 3.600 1.600 1.600 peak 1963 spectrum 1 weight 0.10000E+01 volume 0.11411E-02 ppm1 0.133 ppm2 5.007 CV 1 ASSI { 1964} ( segid " A" and resid 255 and name HG2%) (( segid " A" and resid 256 and name HA )) 3.400 1.500 1.500 peak 1964 spectrum 1 weight 0.10000E+01 volume 0.15106E-02 ppm1 0.225 ppm2 5.024 CV 1 ASSI { 1965} ( segid " A" and resid 141 and name HG2%) (( segid " A" and resid 142 and name HA )) 4.000 2.000 2.000 peak 1965 spectrum 1 weight 0.10000E+01 volume 0.11843E-02 ppm1 0.596 ppm2 5.012 CV 1 ASSI { 1966} (( segid " A" and resid 235 and name HA )) (( segid " A" and resid 257 and name HA )) 2.600 0.900 0.900 peak 1966 spectrum 1 weight 0.10000E+01 volume 0.37020E-02 ppm1 4.028 ppm2 4.942 CV 1 ASSI { 1967} (( segid " A" and resid 258 and name HA )) (( segid " A" and resid 257 and name HA )) 4.600 2.600 1.400 peak 1967 spectrum 1 weight 0.10000E+01 volume 0.82563E-03 ppm1 4.117 ppm2 4.941 CV 1 ASSI { 1968} (( segid " A" and resid 236 and name HA )) (( segid " A" and resid 257 and name HA )) 4.600 2.700 1.400 peak 1968 spectrum 1 weight 0.10000E+01 volume 0.82563E-03 ppm1 4.319 ppm2 4.948 CV 1 ASSI { 1969} (( segid " A" and resid 184 and name HB2 )) (( segid " A" and resid 184 and name HA )) 2.800 1.000 1.000 peak 1969 spectrum 1 weight 0.10000E+01 volume 0.51685E-02 ppm1 1.741 ppm2 4.950 CV 1 ASSI { 1970} (( segid " A" and resid 184 and name HB1 )) (( segid " A" and resid 184 and name HA )) 2.800 0.900 0.900 peak 1970 spectrum 1 weight 0.10000E+01 volume 0.50420E-02 ppm1 1.598 ppm2 4.950 CV 1 ASSI { 1971} (( segid " A" and resid 185 and name HB )) (( segid " A" and resid 184 and name HA )) 4.600 2.600 1.400 peak 1971 spectrum 1 weight 0.10000E+01 volume 0.16637E-02 ppm1 1.894 ppm2 4.952 CV 1 ASSI { 1972} (( segid " A" and resid 184 and name HD1 )) (( segid " A" and resid 184 and name HA )) 3.100 1.200 1.200 peak 1972 spectrum 1 weight 0.10000E+01 volume 0.37869E-02 ppm1 1.728 ppm2 4.958 CV 1 OR { 1972} (( segid " A" and resid 184 and name HD2 )) (( segid " A" and resid 184 and name HA )) ASSI { 1973} ( segid " A" and resid 235 and name HG2%) (( segid " A" and resid 257 and name HA )) 4.100 2.100 1.900 peak 1973 spectrum 1 weight 0.10000E+01 volume 0.17162E-02 ppm1 0.580 ppm2 4.934 CV 1 ASSI { 1974} (( segid " A" and resid 260 and name HA )) (( segid " A" and resid 209 and name HA )) 4.100 2.100 1.900 peak 1974 spectrum 1 weight 0.10000E+01 volume 0.14340E-02 ppm1 3.932 ppm2 4.903 CV 1 ASSI { 1975} (( segid " A" and resid 270 and name HG1 )) (( segid " A" and resid 270 and name HA )) 4.000 2.000 2.000 peak 1975 spectrum 1 weight 0.10000E+01 volume 0.15622E-02 ppm1 1.636 ppm2 4.885 CV 1 ASSI { 1977} ( segid " A" and resid 255 and name HG2%) (( segid " A" and resid 230 and name HA )) 5.100 3.200 0.900 peak 1977 spectrum 1 weight 0.10000E+01 volume 0.13217E-02 ppm1 0.227 ppm2 4.895 CV 1 ASSI { 1978} ( segid " A" and resid 270 and name HE% ) (( segid " A" and resid 270 and name HA )) 2.700 0.900 0.900 peak 1978 spectrum 1 weight 0.10000E+01 volume 0.48813E-02 ppm1 0.598 ppm2 4.879 CV 1 ASSI { 1979} (( segid " A" and resid 163 and name HB2 )) (( segid " A" and resid 162 and name HA )) 5.400 3.600 0.600 peak 1979 spectrum 1 weight 0.10000E+01 volume 0.10495E-02 ppm1 2.135 ppm2 4.858 CV 1 ASSI { 1980} (( segid " A" and resid 270 and name HB2 )) (( segid " A" and resid 270 and name HA )) 3.500 1.600 1.600 peak 1980 spectrum 1 weight 0.10000E+01 volume 0.16920E-02 ppm1 1.980 ppm2 4.873 CV 1 ASSI { 1981} (( segid " A" and resid 163 and name HB1 )) (( segid " A" and resid 162 and name HA )) 4.700 2.700 1.300 peak 1981 spectrum 1 weight 0.10000E+01 volume 0.12218E-02 ppm1 1.694 ppm2 4.868 CV 1 ASSI { 1982} (( segid " A" and resid 161 and name HB2 )) (( segid " A" and resid 162 and name HA )) 4.300 2.400 1.700 peak 1982 spectrum 1 weight 0.10000E+01 volume 0.76903E-03 ppm1 2.225 ppm2 4.858 CV 1 ASSI { 1983} ( segid " A" and resid 280 and name HD1%) (( segid " A" and resid 270 and name HA )) 3.000 1.200 1.200 peak 1983 spectrum 1 weight 0.10000E+01 volume 0.12368E-02 ppm1 1.073 ppm2 4.871 CV 1 ASSI { 1984} ( segid " A" and resid 213 and name HG1%) (( segid " A" and resid 270 and name HA )) 5.300 3.600 0.700 peak 1984 spectrum 1 weight 0.10000E+01 volume 0.73574E-03 ppm1 0.380 ppm2 4.855 CV 1 OR { 1984} ( segid " A" and resid 216 and name HG2%) (( segid " A" and resid 239 and name HA )) ASSI { 1985} ( segid " A" and resid 240 and name HD2%) (( segid " A" and resid 239 and name HA )) 4.300 2.300 1.700 peak 1985 spectrum 1 weight 0.10000E+01 volume 0.15123E-02 ppm1 0.108 ppm2 4.848 CV 1 ASSI { 1986} ( segid " A" and resid 231 and name HB% ) (( segid " A" and resid 230 and name HA )) 4.700 2.700 1.300 peak 1986 spectrum 1 weight 0.10000E+01 volume 0.10512E-02 ppm1 0.801 ppm2 4.859 CV 1 ASSI { 1987} ( segid " A" and resid 235 and name HD1%) (( segid " A" and resid 230 and name HA )) 2.900 1.000 1.000 peak 1987 spectrum 1 weight 0.10000E+01 volume 0.58909E-02 ppm1 0.700 ppm2 4.865 CV 1 ASSI { 1988} ( segid " A" and resid 183 and name HG2%) (( segid " A" and resid 182 and name HA )) 4.000 2.000 2.000 peak 1988 spectrum 1 weight 0.10000E+01 volume 0.28106E-02 ppm1 0.950 ppm2 4.846 CV 1 ASSI { 1989} (( segid " A" and resid 222 and name HA )) (( segid " A" and resid 221 and name HA )) 4.600 2.600 1.400 peak 1989 spectrum 1 weight 0.10000E+01 volume 0.97627E-03 ppm1 3.736 ppm2 4.770 CV 1 ASSI { 1990} (( segid " A" and resid 272 and name HA )) (( segid " A" and resid 279 and name HA )) 4.400 2.400 1.600 peak 1990 spectrum 1 weight 0.10000E+01 volume 0.87556E-03 ppm1 3.907 ppm2 4.773 CV 1 ASSI { 1991} (( segid " A" and resid 274 and name HA )) (( segid " A" and resid 279 and name HA )) 2.700 0.900 0.900 peak 1991 spectrum 1 weight 0.10000E+01 volume 0.31111E-02 ppm1 4.334 ppm2 4.774 CV 1 ASSI { 1992} (( segid " A" and resid 117 and name HA1 )) (( segid " A" and resid 117 and name HA2 )) 2.400 0.700 0.700 peak 1992 spectrum 1 weight 0.10000E+01 volume 0.33000E-02 ppm1 3.530 ppm2 4.787 CV 1 ASSI { 1993} (( segid " A" and resid 280 and name HG )) (( segid " A" and resid 279 and name HA )) 4.000 2.000 2.000 peak 1993 spectrum 1 weight 0.10000E+01 volume 0.14407E-02 ppm1 2.232 ppm2 4.787 CV 1 ASSI { 1994} (( segid " A" and resid 225 and name HG11)) (( segid " A" and resid 221 and name HA )) 4.300 2.300 1.700 peak 1994 spectrum 1 weight 0.10000E+01 volume 0.13932E-02 ppm1 1.072 ppm2 4.772 CV 1 OR { 1994} (( segid " A" and resid 211 and name HG11)) (( segid " A" and resid 238 and name HA )) OR { 1994} (( segid " A" and resid 211 and name HG11)) (( segid " A" and resid 285 and name HA )) ASSI { 1995} ( segid " A" and resid 240 and name HD1%) (( segid " A" and resid 221 and name HA )) 2.700 0.900 0.900 peak 1995 spectrum 1 weight 0.10000E+01 volume 0.43795E-02 ppm1 -0.053 ppm2 4.767 CV 1 ASSI { 1996} ( segid " A" and resid 156 and name HB% ) (( segid " A" and resid 156 and name HA )) 2.400 0.700 0.700 peak 1996 spectrum 1 weight 0.10000E+01 volume 0.10112E-01 ppm1 0.842 ppm2 4.771 CV 1 ASSI { 1997} ( segid " A" and resid 116 and name HG2%) (( segid " A" and resid 156 and name HA )) 3.700 1.700 1.700 peak 1997 spectrum 1 weight 0.10000E+01 volume 0.27973E-02 ppm1 0.712 ppm2 4.769 CV 1 OR { 1997} ( segid " A" and resid 272 and name HD2%) (( segid " A" and resid 279 and name HA )) ASSI { 1998} (( segid " A" and resid 164 and name HA )) (( segid " A" and resid 285 and name HA )) 4.100 2.100 1.900 peak 1998 spectrum 1 weight 0.10000E+01 volume 0.12168E-02 ppm1 3.312 ppm2 4.755 CV 1 ASSI { 1999} (( segid " A" and resid 132 and name HB2 )) (( segid " A" and resid 132 and name HA )) 3.400 1.400 1.400 peak 1999 spectrum 1 weight 0.10000E+01 volume 0.15339E-02 ppm1 3.543 ppm2 4.742 CV 1 ASSI { 2000} (( segid " A" and resid 255 and name HG11)) (( segid " A" and resid 238 and name HA )) 4.300 2.300 1.700 peak 2000 spectrum 1 weight 0.10000E+01 volume 0.15763E-02 ppm1 1.045 ppm2 4.749 CV 1 ASSI { 2001} (( segid " A" and resid 255 and name HG12)) (( segid " A" and resid 238 and name HA )) 2.600 0.900 0.900 peak 2001 spectrum 1 weight 0.10000E+01 volume 0.19925E-02 ppm1 0.586 ppm2 4.758 CV 1 ASSI { 2002} ( segid " A" and resid 286 and name HG1%) (( segid " A" and resid 285 and name HA )) 4.100 2.100 1.900 peak 2002 spectrum 1 weight 0.10000E+01 volume 0.25102E-02 ppm1 0.792 ppm2 4.737 CV 1 ASSI { 2003} ( segid " A" and resid 240 and name HD2%) (( segid " A" and resid 238 and name HA )) 4.100 2.100 1.900 peak 2003 spectrum 1 weight 0.10000E+01 volume 0.15597E-02 ppm1 0.107 ppm2 4.732 CV 1 OR { 2003} ( segid " A" and resid 240 and name HD2%) (( segid " A" and resid 212 and name HA )) ASSI { 2004} ( segid " A" and resid 158 and name HG2%) (( segid " A" and resid 114 and name HA )) 3.900 1.900 1.900 peak 2004 spectrum 1 weight 0.10000E+01 volume 0.13999E-02 ppm1 0.036 ppm2 4.736 CV 1 OR { 2004} ( segid " A" and resid 158 and name HG2%) (( segid " A" and resid 133 and name HA )) ASSI { 2005} ( segid " A" and resid 286 and name HG2%) (( segid " A" and resid 285 and name HA )) 3.900 1.900 1.900 peak 2005 spectrum 1 weight 0.10000E+01 volume 0.38152E-02 ppm1 0.559 ppm2 4.739 CV 1 ASSI { 2006} ( segid " A" and resid 169 and name HB% ) (( segid " A" and resid 132 and name HA )) 4.400 2.400 1.600 peak 2006 spectrum 1 weight 0.10000E+01 volume 0.80482E-03 ppm1 1.355 ppm2 4.740 CV 1 ASSI { 2007} ( segid " A" and resid 255 and name HG2%) (( segid " A" and resid 238 and name HA )) 3.100 1.200 1.200 peak 2007 spectrum 1 weight 0.10000E+01 volume 0.28040E-02 ppm1 0.227 ppm2 4.748 CV 1 ASSI { 2008} ( segid " A" and resid 173 and name HE% ) (( segid " A" and resid 132 and name HA )) 3.400 1.500 1.500 peak 2008 spectrum 1 weight 0.10000E+01 volume 0.13749E-02 ppm1 1.394 ppm2 4.740 CV 1 ASSI { 2009} ( segid " A" and resid 255 and name HD1%) (( segid " A" and resid 238 and name HA )) 4.400 2.400 1.600 peak 2009 spectrum 1 weight 0.10000E+01 volume 0.16146E-02 ppm1 -0.130 ppm2 4.753 CV 1 ASSI { 2010} (( segid " A" and resid 134 and name HA )) (( segid " A" and resid 133 and name HA )) 4.300 2.300 1.700 peak 2010 spectrum 1 weight 0.10000E+01 volume 0.70078E-03 ppm1 4.040 ppm2 4.707 CV 1 ASSI { 2011} (( segid " A" and resid 254 and name HA )) (( segid " A" and resid 212 and name HA )) 2.900 1.100 1.100 peak 2011 spectrum 1 weight 0.10000E+01 volume 0.22730E-02 ppm1 5.770 ppm2 4.718 CV 1 ASSI { 2012} (( segid " A" and resid 249 and name HA )) (( segid " A" and resid 242 and name HA )) 2.400 0.700 0.700 peak 2012 spectrum 1 weight 0.10000E+01 volume 0.48281E-02 ppm1 5.376 ppm2 4.719 CV 1 ASSI { 2013} (( segid " A" and resid 134 and name HD1 )) (( segid " A" and resid 133 and name HA )) 4.400 2.400 1.600 peak 2013 spectrum 1 weight 0.10000E+01 volume 0.12817E-02 ppm1 3.715 ppm2 4.725 CV 1 OR { 2013} (( segid " A" and resid 134 and name HD1 )) (( segid " A" and resid 132 and name HA )) ASSI { 2014} (( segid " A" and resid 134 and name HD2 )) (( segid " A" and resid 133 and name HA )) 3.500 1.500 1.500 peak 2014 spectrum 1 weight 0.10000E+01 volume 0.14157E-02 ppm1 3.070 ppm2 4.731 CV 1 OR { 2014} (( segid " A" and resid 134 and name HD2 )) (( segid " A" and resid 132 and name HA )) ASSI { 2015} (( segid " A" and resid 243 and name HB2 )) (( segid " A" and resid 242 and name HA )) 4.400 2.400 1.600 peak 2015 spectrum 1 weight 0.10000E+01 volume 0.12051E-02 ppm1 2.414 ppm2 4.716 CV 1 ASSI { 2016} (( segid " A" and resid 132 and name HB1 )) (( segid " A" and resid 132 and name HA )) 2.900 1.100 1.100 peak 2016 spectrum 1 weight 0.10000E+01 volume 0.19384E-02 ppm1 2.851 ppm2 4.730 CV 1 ASSI { 2017} (( segid " A" and resid 213 and name HB )) (( segid " A" and resid 212 and name HA )) 4.800 2.900 1.200 peak 2017 spectrum 1 weight 0.10000E+01 volume 0.13932E-02 ppm1 1.250 ppm2 4.717 CV 1 ASSI { 2018} (( segid " A" and resid 249 and name HB1 )) (( segid " A" and resid 242 and name HA )) 4.600 2.600 1.400 peak 2018 spectrum 1 weight 0.10000E+01 volume 0.99624E-03 ppm1 3.277 ppm2 4.728 CV 1 ASSI { 2019} ( segid " A" and resid 116 and name HG1%) (( segid " A" and resid 114 and name HA )) 4.400 2.400 1.600 peak 2019 spectrum 1 weight 0.10000E+01 volume 0.12950E-02 ppm1 0.297 ppm2 4.706 CV 1 ASSI { 2020} ( segid " A" and resid 213 and name HG2%) (( segid " A" and resid 212 and name HA )) 4.300 2.300 1.700 peak 2020 spectrum 1 weight 0.10000E+01 volume 0.20016E-02 ppm1 0.442 ppm2 4.717 CV 1 ASSI { 2021} ( segid " A" and resid 213 and name HG1%) (( segid " A" and resid 212 and name HA )) 3.400 1.500 1.500 peak 2021 spectrum 1 weight 0.10000E+01 volume 0.25368E-02 ppm1 0.385 ppm2 4.710 CV 1 OR { 2021} ( segid " A" and resid 216 and name HG2%) (( segid " A" and resid 212 and name HA )) ASSI { 2022} ( segid " A" and resid 158 and name HG1%) (( segid " A" and resid 132 and name HA )) 4.600 2.600 1.400 peak 2022 spectrum 1 weight 0.10000E+01 volume 0.15530E-02 ppm1 0.130 ppm2 4.724 CV 1 OR { 2022} ( segid " A" and resid 158 and name HG1%) (( segid " A" and resid 133 and name HA )) ASSI { 2023} ( segid " A" and resid 138 and name HD1%) (( segid " A" and resid 133 and name HA )) 2.700 0.900 0.900 peak 2023 spectrum 1 weight 0.10000E+01 volume 0.79999E-02 ppm1 0.771 ppm2 4.703 CV 1 ASSI { 2024} (( segid " A" and resid 138 and name HG11)) (( segid " A" and resid 133 and name HA )) 2.700 0.900 0.900 peak 2024 spectrum 1 weight 0.10000E+01 volume 0.15880E-02 ppm1 0.327 ppm2 4.689 CV 1 ASSI { 2025} (( segid " A" and resid 183 and name HB )) (( segid " A" and resid 183 and name HA )) 2.300 0.700 0.700 peak 2025 spectrum 1 weight 0.10000E+01 volume 0.93382E-02 ppm1 2.011 ppm2 4.658 CV 1 ASSI { 2026} ( segid " A" and resid 183 and name HG2%) (( segid " A" and resid 183 and name HA )) 2.400 0.700 0.700 peak 2026 spectrum 1 weight 0.10000E+01 volume 0.12201E-01 ppm1 0.950 ppm2 4.658 CV 1 ASSI { 2027} ( segid " A" and resid 183 and name HD1%) (( segid " A" and resid 183 and name HA )) 4.100 2.100 1.900 peak 2027 spectrum 1 weight 0.10000E+01 volume 0.36970E-02 ppm1 0.863 ppm2 4.650 CV 1 ASSI { 2028} (( segid " A" and resid 178 and name HB1 )) (( segid " A" and resid 178 and name HA )) 2.800 1.000 1.000 peak 2028 spectrum 1 weight 0.10000E+01 volume 0.37444E-02 ppm1 1.574 ppm2 4.640 CV 1 ASSI { 2029} (( segid " A" and resid 178 and name HB2 )) (( segid " A" and resid 178 and name HA )) 3.200 1.200 1.200 peak 2029 spectrum 1 weight 0.10000E+01 volume 0.36687E-02 ppm1 1.411 ppm2 4.639 CV 1 ASSI { 2030} (( segid " A" and resid 177 and name HB1 )) (( segid " A" and resid 177 and name HA )) 2.700 0.900 0.900 peak 2030 spectrum 1 weight 0.10000E+01 volume 0.76495E-02 ppm1 1.907 ppm2 4.629 CV 1 ASSI { 2031} (( segid " A" and resid 177 and name HB2 )) (( segid " A" and resid 177 and name HA )) 2.100 0.600 0.600 peak 2031 spectrum 1 weight 0.10000E+01 volume 0.90136E-02 ppm1 1.785 ppm2 4.630 CV 1 ASSI { 2032} (( segid " A" and resid 177 and name HG1 )) (( segid " A" and resid 177 and name HA )) 2.900 1.100 1.100 peak 2032 spectrum 1 weight 0.10000E+01 volume 0.38676E-02 ppm1 2.322 ppm2 4.618 CV 1 ASSI { 2033} (( segid " A" and resid 177 and name HG2 )) (( segid " A" and resid 177 and name HA )) 3.400 1.400 1.400 peak 2033 spectrum 1 weight 0.10000E+01 volume 0.46541E-02 ppm1 2.271 ppm2 4.620 CV 1 ASSI { 2034} ( segid " A" and resid 177 and name HE% ) (( segid " A" and resid 177 and name HA )) 2.500 0.800 0.800 peak 2034 spectrum 1 weight 0.10000E+01 volume 0.65060E-02 ppm1 1.932 ppm2 4.626 CV 1 ASSI { 2035} ( segid " A" and resid 225 and name HD1%) (( segid " A" and resid 220 and name HA )) 3.100 3.100 2.900 peak 2035 spectrum 1 weight 0.10000E+01 volume 0.11744E-02 ppm1 0.631 ppm2 4.622 CV 1 ASSI { 2036} (( segid " A" and resid 158 and name HA )) (( segid " A" and resid 141 and name HA )) 2.800 1.000 1.000 peak 2036 spectrum 1 weight 0.10000E+01 volume 0.36878E-02 ppm1 4.089 ppm2 4.596 CV 1 ASSI { 2037} (( segid " A" and resid 254 and name HA )) (( segid " A" and resid 255 and name HA )) 4.200 2.200 1.800 peak 2037 spectrum 1 weight 0.10000E+01 volume 0.75488E-03 ppm1 5.770 ppm2 4.588 CV 1 ASSI { 2038} (( segid " A" and resid 116 and name HB )) (( segid " A" and resid 116 and name HA )) 3.300 1.300 1.300 peak 2038 spectrum 1 weight 0.10000E+01 volume 0.13600E-02 ppm1 1.569 ppm2 4.604 CV 1 ASSI { 2039} ( segid " A" and resid 168 and name HD2%) (( segid " A" and resid 283 and name HA1 )) 2.900 1.100 1.100 peak 2039 spectrum 1 weight 0.10000E+01 volume 0.36829E-02 ppm1 1.025 ppm2 4.603 CV 1 ASSI { 2040} ( segid " A" and resid 168 and name HD1%) (( segid " A" and resid 283 and name HA1 )) 2.500 0.800 0.800 peak 2040 spectrum 1 weight 0.10000E+01 volume 0.70919E-02 ppm1 0.909 ppm2 4.605 CV 1 ASSI { 2041} ( segid " A" and resid 282 and name HG1%) (( segid " A" and resid 283 and name HA1 )) 3.300 1.400 1.400 peak 2041 spectrum 1 weight 0.10000E+01 volume 0.82171E-02 ppm1 1.007 ppm2 4.588 CV 1 OR { 2041} ( segid " A" and resid 282 and name HG1%) (( segid " A" and resid 213 and name HA )) OR { 2041} ( segid " A" and resid 267 and name HG2%) (( segid " A" and resid 283 and name HA1 )) ASSI { 2042} ( segid " A" and resid 158 and name HG2%) (( segid " A" and resid 141 and name HA )) 3.900 1.900 1.900 peak 2042 spectrum 1 weight 0.10000E+01 volume 0.23529E-02 ppm1 0.032 ppm2 4.600 CV 1 ASSI { 2043} ( segid " A" and resid 141 and name HG2%) (( segid " A" and resid 141 and name HA )) 2.600 0.800 0.800 peak 2043 spectrum 1 weight 0.10000E+01 volume 0.76778E-02 ppm1 0.601 ppm2 4.596 CV 1 ASSI { 2044} ( segid " A" and resid 211 and name HD1%) (( segid " A" and resid 255 and name HA )) 4.500 2.600 1.500 peak 2044 spectrum 1 weight 0.10000E+01 volume 0.13816E-02 ppm1 0.751 ppm2 4.588 CV 1 OR { 2044} ( segid " A" and resid 211 and name HD1%) (( segid " A" and resid 213 and name HA )) ASSI { 2045} ( segid " A" and resid 235 and name HD1%) (( segid " A" and resid 255 and name HA )) 4.800 2.900 1.200 peak 2045 spectrum 1 weight 0.10000E+01 volume 0.11294E-02 ppm1 0.697 ppm2 4.604 CV 1 ASSI { 2046} (( segid " A" and resid 282 and name HA )) (( segid " A" and resid 213 and name HA )) 2.500 0.800 0.800 peak 2046 spectrum 1 weight 0.10000E+01 volume 0.47007E-02 ppm1 5.383 ppm2 4.570 CV 1 ASSI { 2047} ( segid " A" and resid 282 and name HG2%) (( segid " A" and resid 213 and name HA )) 3.400 1.400 1.400 peak 2047 spectrum 1 weight 0.10000E+01 volume 0.42255E-02 ppm1 1.046 ppm2 4.585 CV 1 OR { 2047} ( segid " A" and resid 282 and name HG2%) (( segid " A" and resid 283 and name HA1 )) ASSI { 2048} ( segid " A" and resid 116 and name HG1%) (( segid " A" and resid 116 and name HA )) 2.800 0.900 0.900 peak 2048 spectrum 1 weight 0.10000E+01 volume 0.45201E-02 ppm1 0.294 ppm2 4.578 CV 1 ASSI { 2049} ( segid " A" and resid 241 and name HB% ) (( segid " A" and resid 240 and name HA )) 4.100 2.100 1.900 peak 2049 spectrum 1 weight 0.10000E+01 volume 0.30869E-02 ppm1 0.778 ppm2 4.572 CV 1 ASSI { 2050} (( segid " A" and resid 107 and name HA )) (( segid " A" and resid 194 and name HA )) 3.300 1.400 1.400 peak 2050 spectrum 1 weight 0.10000E+01 volume 0.31344E-02 ppm1 3.938 ppm2 4.521 CV 1 OR { 2050} (( segid " A" and resid 202 and name HA )) (( segid " A" and resid 286 and name HA )) ASSI { 2051} (( segid " A" and resid 197 and name HB )) (( segid " A" and resid 194 and name HA )) 3.300 1.400 1.400 peak 2051 spectrum 1 weight 0.10000E+01 volume 0.16945E-02 ppm1 1.998 ppm2 4.502 CV 1 ASSI { 2052} (( segid " A" and resid 197 and name HG12)) (( segid " A" and resid 194 and name HA )) 4.400 2.400 1.600 peak 2052 spectrum 1 weight 0.10000E+01 volume 0.16571E-02 ppm1 1.473 ppm2 4.500 CV 1 OR { 2052} (( segid " A" and resid 141 and name HG12)) (( segid " A" and resid 140 and name HA )) ASSI { 2053} (( segid " A" and resid 197 and name HG11)) (( segid " A" and resid 194 and name HA )) 3.400 1.500 1.500 peak 2053 spectrum 1 weight 0.10000E+01 volume 0.11710E-02 ppm1 1.325 ppm2 4.500 CV 1 ASSI { 2054} ( segid " A" and resid 107 and name HB% ) (( segid " A" and resid 194 and name HA )) 3.500 1.500 1.500 peak 2054 spectrum 1 weight 0.10000E+01 volume 0.26908E-02 ppm1 1.482 ppm2 4.503 CV 1 ASSI { 2055} ( segid " A" and resid 205 and name HB% ) (( segid " A" and resid 286 and name HA )) 2.800 1.000 1.000 peak 2055 spectrum 1 weight 0.10000E+01 volume 0.56437E-02 ppm1 1.152 ppm2 4.519 CV 1 ASSI { 2056} ( segid " A" and resid 202 and name HB% ) (( segid " A" and resid 286 and name HA )) 3.600 1.600 1.600 peak 2056 spectrum 1 weight 0.10000E+01 volume 0.29688E-02 ppm1 1.570 ppm2 4.509 CV 1 ASSI { 2057} ( segid " A" and resid 111 and name HE% ) (( segid " A" and resid 286 and name HA )) 4.600 2.600 1.400 peak 2057 spectrum 1 weight 0.10000E+01 volume 0.13733E-02 ppm1 1.972 ppm2 4.526 CV 1 ASSI { 2058} ( segid " A" and resid 110 and name HD1%) (( segid " A" and resid 194 and name HA )) 4.100 2.100 1.900 peak 2058 spectrum 1 weight 0.10000E+01 volume 0.25834E-02 ppm1 0.736 ppm2 4.512 CV 1 OR { 2058} ( segid " A" and resid 141 and name HD1%) (( segid " A" and resid 140 and name HA )) ASSI { 2059} ( segid " A" and resid 197 and name HD1%) (( segid " A" and resid 194 and name HA )) 3.200 1.300 1.300 peak 2059 spectrum 1 weight 0.10000E+01 volume 0.25801E-02 ppm1 0.795 ppm2 4.507 CV 1 ASSI { 2060} (( segid " A" and resid 157 and name HA )) (( segid " A" and resid 115 and name HA )) 3.300 1.400 1.400 peak 2060 spectrum 1 weight 0.10000E+01 volume 0.19076E-02 ppm1 5.470 ppm2 4.493 CV 1 ASSI { 2061} (( segid " A" and resid 115 and name HB1 )) (( segid " A" and resid 115 and name HA )) 3.800 1.800 1.800 peak 2061 spectrum 1 weight 0.10000E+01 volume 0.13799E-02 ppm1 2.466 ppm2 4.478 CV 1 ASSI { 2062} (( segid " A" and resid 185 and name HB )) (( segid " A" and resid 174 and name HA )) 3.200 1.300 1.300 peak 2062 spectrum 1 weight 0.10000E+01 volume 0.26808E-02 ppm1 1.895 ppm2 4.480 CV 1 ASSI { 2063} ( segid " A" and resid 170 and name HD1%) (( segid " A" and resid 186 and name HA1 )) 2.500 0.800 0.800 peak 2063 spectrum 1 weight 0.10000E+01 volume 0.79808E-02 ppm1 0.808 ppm2 4.490 CV 1 OR { 2063} ( segid " A" and resid 170 and name HD2%) (( segid " A" and resid 186 and name HA1 )) ASSI { 2064} ( segid " A" and resid 114 and name HG1%) (( segid " A" and resid 186 and name HA1 )) 4.200 2.200 1.800 peak 2064 spectrum 1 weight 0.10000E+01 volume 0.11527E-02 ppm1 0.896 ppm2 4.494 CV 1 OR { 2064} ( segid " A" and resid 114 and name HG1%) (( segid " A" and resid 115 and name HA )) ASSI { 2065} (( segid " A" and resid 281 and name HA )) (( segid " A" and resid 271 and name HA )) 3.500 1.600 1.600 peak 2065 spectrum 1 weight 0.10000E+01 volume 0.25268E-02 ppm1 5.239 ppm2 4.443 CV 1 OR { 2065} (( segid " A" and resid 281 and name HA )) (( segid " A" and resid 280 and name HA )) ASSI { 2066} (( segid " A" and resid 196 and name HD2 )) (( segid " A" and resid 196 and name HA )) 4.300 2.300 1.700 peak 2066 spectrum 1 weight 0.10000E+01 volume 0.10171E-02 ppm1 3.688 ppm2 4.456 CV 1 ASSI { 2067} (( segid " A" and resid 196 and name HD1 )) (( segid " A" and resid 196 and name HA )) 3.800 1.800 1.800 peak 2067 spectrum 1 weight 0.10000E+01 volume 0.14915E-02 ppm1 3.510 ppm2 4.464 CV 1 ASSI { 2068} (( segid " A" and resid 282 and name HB )) (( segid " A" and resid 271 and name HA )) 3.200 1.300 1.300 peak 2068 spectrum 1 weight 0.10000E+01 volume 0.31768E-02 ppm1 1.804 ppm2 4.441 CV 1 ASSI { 2069} (( segid " A" and resid 196 and name HB1 )) (( segid " A" and resid 196 and name HA )) 2.500 0.800 0.800 peak 2069 spectrum 1 weight 0.10000E+01 volume 0.62122E-02 ppm1 1.766 ppm2 4.442 CV 1 ASSI { 2070} (( segid " A" and resid 196 and name HG1 )) (( segid " A" and resid 196 and name HA )) 3.200 1.300 1.300 peak 2070 spectrum 1 weight 0.10000E+01 volume 0.31011E-02 ppm1 2.078 ppm2 4.445 CV 1 ASSI { 2071} (( segid " A" and resid 196 and name HG2 )) (( segid " A" and resid 196 and name HA )) 4.100 2.100 1.900 peak 2071 spectrum 1 weight 0.10000E+01 volume 0.30112E-02 ppm1 2.000 ppm2 4.442 CV 1 ASSI { 2072} (( segid " A" and resid 280 and name HG )) (( segid " A" and resid 280 and name HA )) 3.400 1.400 1.400 peak 2072 spectrum 1 weight 0.10000E+01 volume 0.14939E-02 ppm1 2.226 ppm2 4.454 CV 1 ASSI { 2073} ( segid " A" and resid 280 and name HD1%) (( segid " A" and resid 280 and name HA )) 4.000 2.000 2.000 peak 2073 spectrum 1 weight 0.10000E+01 volume 0.34273E-02 ppm1 1.072 ppm2 4.452 CV 1 OR { 2073} (( segid " A" and resid 211 and name HG11)) (( segid " A" and resid 284 and name HA )) ASSI { 2074} ( segid " A" and resid 168 and name HD2%) (( segid " A" and resid 215 and name HB1 )) 4.300 2.400 1.700 peak 2074 spectrum 1 weight 0.10000E+01 volume 0.16637E-02 ppm1 1.023 ppm2 4.452 CV 1 OR { 2074} ( segid " A" and resid 168 and name HD2%) (( segid " A" and resid 280 and name HA )) OR { 2074} ( segid " A" and resid 168 and name HD2%) (( segid " A" and resid 172 and name HA )) OR { 2074} ( segid " A" and resid 168 and name HD2%) (( segid " A" and resid 271 and name HA )) ASSI { 2075} ( segid " A" and resid 280 and name HD2%) (( segid " A" and resid 280 and name HA )) 2.200 0.600 0.600 peak 2075 spectrum 1 weight 0.10000E+01 volume 0.12917E-01 ppm1 0.868 ppm2 4.454 CV 1 ASSI { 2076} ( segid " A" and resid 282 and name HG1%) (( segid " A" and resid 271 and name HA )) 2.200 0.600 0.600 peak 2076 spectrum 1 weight 0.10000E+01 volume 0.11918E-01 ppm1 1.009 ppm2 4.451 CV 1 ASSI { 2077} ( segid " A" and resid 272 and name HD2%) (( segid " A" and resid 271 and name HA )) 3.900 1.900 1.900 peak 2077 spectrum 1 weight 0.10000E+01 volume 0.35081E-02 ppm1 0.713 ppm2 4.446 CV 1 ASSI { 2078} ( segid " A" and resid 216 and name HG2%) (( segid " A" and resid 280 and name HA )) 3.700 1.700 1.700 peak 2078 spectrum 1 weight 0.10000E+01 volume 0.29737E-02 ppm1 0.383 ppm2 4.449 CV 1 OR { 2078} ( segid " A" and resid 216 and name HG2%) (( segid " A" and resid 215 and name HB1 )) OR { 2078} ( segid " A" and resid 213 and name HG1%) (( segid " A" and resid 271 and name HA )) OR { 2078} ( segid " A" and resid 213 and name HG1%) (( segid " A" and resid 280 and name HA )) ASSI { 2079} ( segid " A" and resid 285 and name HB% ) (( segid " A" and resid 284 and name HA )) 4.200 2.200 1.800 peak 2079 spectrum 1 weight 0.10000E+01 volume 0.35880E-02 ppm1 1.525 ppm2 4.446 CV 1 ASSI { 2080} ( segid " A" and resid 211 and name HD1%) (( segid " A" and resid 284 and name HA )) 4.700 2.800 1.300 peak 2080 spectrum 1 weight 0.10000E+01 volume 0.15197E-02 ppm1 0.754 ppm2 4.440 CV 1 OR { 2080} ( segid " A" and resid 211 and name HD1%) (( segid " A" and resid 271 and name HA )) ASSI { 2081} (( segid " A" and resid 211 and name HA )) (( segid " A" and resid 284 and name HA )) 3.500 1.500 1.500 peak 2081 spectrum 1 weight 0.10000E+01 volume 0.27274E-02 ppm1 5.080 ppm2 4.433 CV 1 ASSI { 2083} (( segid " A" and resid 247 and name HA1 )) (( segid " A" and resid 246 and name HA )) 3.900 1.900 1.900 peak 2083 spectrum 1 weight 0.10000E+01 volume 0.14457E-02 ppm1 3.778 ppm2 4.411 CV 1 OR { 2083} (( segid " A" and resid 247 and name HA1 )) (( segid " A" and resid 248 and name HA )) ASSI { 2084} (( segid " A" and resid 250 and name HB1 )) (( segid " A" and resid 250 and name HA )) 3.000 1.100 1.100 peak 2084 spectrum 1 weight 0.10000E+01 volume 0.23196E-02 ppm1 1.360 ppm2 4.427 CV 1 ASSI { 2085} (( segid " A" and resid 248 and name HB1 )) (( segid " A" and resid 248 and name HA )) 2.700 0.900 0.900 peak 2085 spectrum 1 weight 0.10000E+01 volume 0.44327E-02 ppm1 1.630 ppm2 4.428 CV 1 OR { 2085} (( segid " A" and resid 270 and name HG1 )) (( segid " A" and resid 229 and name HA )) ASSI { 2086} (( segid " A" and resid 250 and name HD2 )) (( segid " A" and resid 250 and name HA )) 4.500 2.500 1.500 peak 2086 spectrum 1 weight 0.10000E+01 volume 0.22763E-02 ppm1 1.807 ppm2 4.426 CV 1 ASSI { 2087} ( segid " A" and resid 275 and name HD2%) (( segid " A" and resid 280 and name HA )) 4.000 2.000 2.000 peak 2087 spectrum 1 weight 0.10000E+01 volume 0.15247E-02 ppm1 0.981 ppm2 4.428 CV 1 OR { 2087} ( segid " A" and resid 275 and name HD2%) (( segid " A" and resid 224 and name HA )) ASSI { 2088} (( segid " A" and resid 250 and name HG2 )) (( segid " A" and resid 250 and name HA )) 2.700 0.900 0.900 peak 2088 spectrum 1 weight 0.10000E+01 volume 0.40940E-02 ppm1 1.483 ppm2 4.423 CV 1 ASSI { 2090} ( segid " A" and resid 211 and name HG2%) (( segid " A" and resid 284 and name HA )) 2.600 0.900 0.900 peak 2090 spectrum 1 weight 0.10000E+01 volume 0.61939E-02 ppm1 0.970 ppm2 4.437 CV 1 ASSI { 2091} ( segid " A" and resid 241 and name HB% ) (( segid " A" and resid 250 and name HA )) 4.700 2.800 1.300 peak 2091 spectrum 1 weight 0.10000E+01 volume 0.17253E-02 ppm1 0.778 ppm2 4.432 CV 1 ASSI { 2092} ( segid " A" and resid 235 and name HD1%) (( segid " A" and resid 229 and name HA )) 3.900 1.900 1.900 peak 2092 spectrum 1 weight 0.10000E+01 volume 0.20466E-02 ppm1 0.698 ppm2 4.412 CV 1 ASSI { 2093} ( segid " A" and resid 255 and name HD1%) (( segid " A" and resid 229 and name HA )) 3.200 3.200 2.800 peak 2093 spectrum 1 weight 0.10000E+01 volume 0.99458E-03 ppm1 -0.127 ppm2 4.418 CV 1 ASSI { 2094} (( segid " A" and resid 226 and name HA )) (( segid " A" and resid 229 and name HA )) 4.700 2.700 1.300 peak 2094 spectrum 1 weight 0.10000E+01 volume 0.12401E-02 ppm1 3.703 ppm2 4.400 CV 1 OR { 2094} (( segid " A" and resid 226 and name HA )) (( segid " A" and resid 223 and name HA )) OR { 2094} (( segid " A" and resid 125 and name HA )) (( segid " A" and resid 143 and name HA )) ASSI { 2095} (( segid " A" and resid 226 and name HE2 )) (( segid " A" and resid 223 and name HA )) 4.200 2.200 1.800 peak 2095 spectrum 1 weight 0.10000E+01 volume 0.28547E-02 ppm1 2.871 ppm2 4.397 CV 1 OR { 2095} (( segid " A" and resid 226 and name HE1 )) (( segid " A" and resid 223 and name HA )) ASSI { 2096} (( segid " A" and resid 225 and name HB )) (( segid " A" and resid 224 and name HA )) 4.700 2.800 1.300 peak 2096 spectrum 1 weight 0.10000E+01 volume 0.87889E-03 ppm1 1.882 ppm2 4.404 CV 1 OR { 2096} (( segid " A" and resid 225 and name HB )) (( segid " A" and resid 223 and name HA )) ASSI { 2097} (( segid " A" and resid 226 and name HD1 )) (( segid " A" and resid 223 and name HA )) 3.200 1.300 1.300 peak 2097 spectrum 1 weight 0.10000E+01 volume 0.38818E-02 ppm1 1.681 ppm2 4.395 CV 1 OR { 2097} (( segid " A" and resid 226 and name HD2 )) (( segid " A" and resid 223 and name HA )) ASSI { 2098} ( segid " A" and resid 127 and name HG2%) (( segid " A" and resid 123 and name HA )) 3.800 1.800 1.800 peak 2098 spectrum 1 weight 0.10000E+01 volume 0.19808E-02 ppm1 1.326 ppm2 4.389 CV 1 ASSI { 2099} ( segid " A" and resid 123 and name HD1%) (( segid " A" and resid 123 and name HA )) 3.400 1.400 1.400 peak 2099 spectrum 1 weight 0.10000E+01 volume 0.10587E-01 ppm1 0.934 ppm2 4.398 CV 1 ASSI { 2100} ( segid " A" and resid 220 and name HD1%) (( segid " A" and resid 224 and name HA )) 3.900 1.900 1.900 peak 2100 spectrum 1 weight 0.10000E+01 volume 0.27807E-02 ppm1 0.801 ppm2 4.407 CV 1 ASSI { 2101} ( segid " A" and resid 228 and name HG2%) (( segid " A" and resid 224 and name HA )) 3.500 1.600 1.600 peak 2101 spectrum 1 weight 0.10000E+01 volume 0.30212E-02 ppm1 0.678 ppm2 4.406 CV 1 OR { 2101} ( segid " A" and resid 228 and name HG2%) (( segid " A" and resid 229 and name HA )) ASSI { 2102} ( segid " A" and resid 266 and name HB% ) (( segid " A" and resid 229 and name HA )) 3.500 1.500 1.500 peak 2102 spectrum 1 weight 0.10000E+01 volume 0.20258E-02 ppm1 1.337 ppm2 4.399 CV 1 ASSI { 2103} ( segid " A" and resid 225 and name HG2%) (( segid " A" and resid 229 and name HA )) 4.200 2.200 1.800 peak 2103 spectrum 1 weight 0.10000E+01 volume 0.14815E-02 ppm1 0.637 ppm2 4.409 CV 1 OR { 2103} ( segid " A" and resid 225 and name HG2%) (( segid " A" and resid 224 and name HA )) ASSI { 2104} ( segid " A" and resid 202 and name HB% ) (( segid " A" and resid 199 and name HA )) 2.500 0.800 0.800 peak 2104 spectrum 1 weight 0.10000E+01 volume 0.10287E-01 ppm1 1.570 ppm2 4.401 CV 1 ASSI { 2105} ( segid " A" and resid 231 and name HB% ) (( segid " A" and resid 232 and name HA )) 3.500 1.500 1.500 peak 2105 spectrum 1 weight 0.10000E+01 volume 0.30536E-02 ppm1 0.801 ppm2 4.398 CV 1 OR { 2105} ( segid " A" and resid 231 and name HB% ) (( segid " A" and resid 229 and name HA )) ASSI { 2106} ( segid " A" and resid 198 and name HG2%) (( segid " A" and resid 199 and name HA )) 3.300 1.400 1.400 peak 2106 spectrum 1 weight 0.10000E+01 volume 0.24269E-02 ppm1 0.932 ppm2 4.399 CV 1 ASSI { 2107} ( segid " A" and resid 270 and name HE% ) (( segid " A" and resid 229 and name HA )) 3.000 1.100 1.100 peak 2107 spectrum 1 weight 0.10000E+01 volume 0.29313E-02 ppm1 0.597 ppm2 4.399 CV 1 ASSI { 2108} (( segid " A" and resid 279 and name HB2 )) (( segid " A" and resid 278 and name HA )) 5.100 3.300 0.900 peak 2108 spectrum 1 weight 0.10000E+01 volume 0.92883E-03 ppm1 2.735 ppm2 4.369 CV 1 ASSI { 2109} (( segid " A" and resid 122 and name HB2 )) (( segid " A" and resid 123 and name HA )) 4.900 3.000 1.100 peak 2109 spectrum 1 weight 0.10000E+01 volume 0.92134E-03 ppm1 2.151 ppm2 4.372 CV 1 OR { 2109} (( segid " A" and resid 204 and name HB2 )) (( segid " A" and resid 288 and name HA )) ASSI { 2110} ( segid " A" and resid 205 and name HB% ) (( segid " A" and resid 288 and name HA )) 3.400 1.500 1.500 peak 2110 spectrum 1 weight 0.10000E+01 volume 0.28447E-02 ppm1 1.151 ppm2 4.364 CV 1 ASSI { 2111} (( segid " A" and resid 140 and name HB1 )) (( segid " A" and resid 139 and name HA )) 4.500 2.600 1.500 peak 2111 spectrum 1 weight 0.10000E+01 volume 0.91551E-03 ppm1 3.753 ppm2 4.321 CV 1 ASSI { 2112} (( segid " A" and resid 140 and name HB2 )) (( segid " A" and resid 139 and name HA )) 4.400 2.500 1.600 peak 2112 spectrum 1 weight 0.10000E+01 volume 0.64835E-03 ppm1 3.687 ppm2 4.325 CV 1 ASSI { 2113} (( segid " A" and resid 275 and name HB2 )) (( segid " A" and resid 274 and name HA )) 4.400 2.400 1.600 peak 2113 spectrum 1 weight 0.10000E+01 volume 0.10994E-02 ppm1 2.013 ppm2 4.326 CV 1 ASSI { 2114} (( segid " A" and resid 275 and name HB1 )) (( segid " A" and resid 274 and name HA )) 4.900 3.000 1.100 peak 2114 spectrum 1 weight 0.10000E+01 volume 0.78068E-03 ppm1 1.465 ppm2 4.329 CV 1 ASSI { 2115} (( segid " A" and resid 258 and name HG1 )) (( segid " A" and resid 236 and name HA )) 3.400 1.400 1.400 peak 2115 spectrum 1 weight 0.10000E+01 volume 0.26034E-02 ppm1 2.237 ppm2 4.329 CV 1 ASSI { 2116} (( segid " A" and resid 139 and name HB2 )) (( segid " A" and resid 139 and name HA )) 2.700 0.900 0.900 peak 2116 spectrum 1 weight 0.10000E+01 volume 0.42122E-02 ppm1 1.532 ppm2 4.326 CV 1 ASSI { 2117} (( segid " A" and resid 139 and name HB1 )) (( segid " A" and resid 139 and name HA )) 3.000 1.100 1.100 peak 2117 spectrum 1 weight 0.10000E+01 volume 0.54764E-02 ppm1 1.423 ppm2 4.324 CV 1 ASSI { 2118} (( segid " A" and resid 258 and name HB2 )) (( segid " A" and resid 236 and name HA )) 3.900 1.900 1.900 peak 2118 spectrum 1 weight 0.10000E+01 volume 0.47340E-02 ppm1 1.963 ppm2 4.336 CV 1 OR { 2118} (( segid " A" and resid 235 and name HG12)) (( segid " A" and resid 236 and name HA )) ASSI { 2119} (( segid " A" and resid 210 and name HG1 )) (( segid " A" and resid 288 and name HA )) 4.700 2.700 1.300 peak 2119 spectrum 1 weight 0.10000E+01 volume 0.10495E-02 ppm1 1.473 ppm2 4.342 CV 1 ASSI { 2120} (( segid " A" and resid 139 and name HG1 )) (( segid " A" and resid 139 and name HA )) 2.700 0.900 0.900 peak 2120 spectrum 1 weight 0.10000E+01 volume 0.45601E-02 ppm1 1.295 ppm2 4.324 CV 1 ASSI { 2122} ( segid " A" and resid 138 and name HG2%) (( segid " A" and resid 139 and name HA )) 3.700 1.700 1.700 peak 2122 spectrum 1 weight 0.10000E+01 volume 0.19525E-02 ppm1 0.538 ppm2 4.329 CV 1 ASSI { 2123} (( segid " A" and resid 235 and name HB )) (( segid " A" and resid 234 and name HA )) 4.400 2.400 1.600 peak 2123 spectrum 1 weight 0.10000E+01 volume 0.12950E-02 ppm1 1.646 ppm2 4.296 CV 1 OR { 2123} (( segid " A" and resid 235 and name HB )) (( segid " A" and resid 236 and name HA )) ASSI { 2124} (( segid " A" and resid 258 and name HG2 )) (( segid " A" and resid 236 and name HA )) 3.900 1.900 1.900 peak 2124 spectrum 1 weight 0.10000E+01 volume 0.11078E-02 ppm1 2.133 ppm2 4.308 CV 1 ASSI { 2125} (( segid " A" and resid 234 and name HB1 )) (( segid " A" and resid 234 and name HA )) 2.400 0.700 0.700 peak 2125 spectrum 1 weight 0.10000E+01 volume 0.97211E-02 ppm1 1.783 ppm2 4.300 CV 1 OR { 2125} (( segid " A" and resid 234 and name HB2 )) (( segid " A" and resid 234 and name HA )) ASSI { 2126} (( segid " A" and resid 216 and name HB )) (( segid " A" and resid 251 and name HA1 )) 4.000 2.000 2.000 peak 2126 spectrum 1 weight 0.10000E+01 volume 0.24835E-02 ppm1 1.290 ppm2 4.295 CV 1 ASSI { 2127} (( segid " A" and resid 234 and name HD1 )) (( segid " A" and resid 234 and name HA )) 2.600 0.800 0.800 peak 2127 spectrum 1 weight 0.10000E+01 volume 0.47873E-02 ppm1 1.723 ppm2 4.314 CV 1 ASSI { 2128} ( segid " A" and resid 216 and name HG2%) (( segid " A" and resid 251 and name HA1 )) 4.200 2.200 1.800 peak 2128 spectrum 1 weight 0.10000E+01 volume 0.20757E-02 ppm1 0.382 ppm2 4.294 CV 1 ASSI { 2129} ( segid " A" and resid 235 and name HG2%) (( segid " A" and resid 236 and name HA )) 3.700 1.700 1.700 peak 2129 spectrum 1 weight 0.10000E+01 volume 0.24636E-02 ppm1 0.578 ppm2 4.306 CV 1 OR { 2129} ( segid " A" and resid 235 and name HG2%) (( segid " A" and resid 234 and name HA )) ASSI { 2130} (( segid " A" and resid 230 and name HG1 )) (( segid " A" and resid 227 and name HA )) 3.800 1.800 1.800 peak 2130 spectrum 1 weight 0.10000E+01 volume 0.27407E-02 ppm1 2.542 ppm2 4.266 CV 1 OR { 2130} (( segid " A" and resid 230 and name HG2 )) (( segid " A" and resid 227 and name HA )) ASSI { 2131} ( segid " A" and resid 216 and name HG1%) (( segid " A" and resid 251 and name HA1 )) 4.800 2.900 1.200 peak 2131 spectrum 1 weight 0.10000E+01 volume 0.20566E-02 ppm1 0.668 ppm2 4.282 CV 1 ASSI { 2132} ( segid " A" and resid 235 and name HD1%) (( segid " A" and resid 234 and name HA )) 4.900 3.000 1.100 peak 2132 spectrum 1 weight 0.10000E+01 volume 0.15530E-02 ppm1 0.699 ppm2 4.282 CV 1 OR { 2132} ( segid " A" and resid 235 and name HD1%) (( segid " A" and resid 236 and name HA )) ASSI { 2133} (( segid " A" and resid 278 and name HB2 )) (( segid " A" and resid 215 and name HB2 )) 3.000 3.000 3.000 peak 2133 spectrum 1 weight 0.10000E+01 volume 0.12176E-01 ppm1 2.139 ppm2 4.257 CV 1 ASSI { 2135} (( segid " A" and resid 139 and name HB2 )) (( segid " A" and resid 161 and name HA )) 3.600 1.600 1.600 peak 2135 spectrum 1 weight 0.10000E+01 volume 0.97127E-03 ppm1 1.530 ppm2 4.212 CV 1 ASSI { 2136} (( segid " A" and resid 250 and name HB1 )) (( segid " A" and resid 251 and name HA1 )) 3.800 1.800 1.800 peak 2136 spectrum 1 weight 0.10000E+01 volume 0.16662E-02 ppm1 1.350 ppm2 4.300 CV 1 ASSI { 2137} (( segid " A" and resid 139 and name HG1 )) (( segid " A" and resid 161 and name HA )) 4.600 2.600 1.400 peak 2137 spectrum 1 weight 0.10000E+01 volume 0.11577E-02 ppm1 1.297 ppm2 4.220 CV 1 ASSI { 2138} ( segid " A" and resid 201 and name HD2%) (( segid " A" and resid 287 and name HB )) 3.100 1.200 1.200 peak 2138 spectrum 1 weight 0.10000E+01 volume 0.69213E-02 ppm1 0.817 ppm2 4.209 CV 1 ASSI { 2139} ( segid " A" and resid 267 and name HG2%) (( segid " A" and resid 268 and name HA )) 3.400 1.500 1.500 peak 2139 spectrum 1 weight 0.10000E+01 volume 0.17636E-02 ppm1 1.005 ppm2 4.223 CV 1 OR { 2139} ( segid " A" and resid 282 and name HG1%) (( segid " A" and resid 268 and name HA )) ASSI { 2140} ( segid " A" and resid 133 and name HB% ) (( segid " A" and resid 131 and name HA )) 5.200 3.300 0.800 peak 2140 spectrum 1 weight 0.10000E+01 volume 0.83561E-03 ppm1 1.613 ppm2 4.218 CV 1 ASSI { 2141} (( segid " A" and resid 134 and name HD1 )) (( segid " A" and resid 131 and name HA )) 4.100 2.100 1.900 peak 2141 spectrum 1 weight 0.10000E+01 volume 0.97377E-03 ppm1 3.710 ppm2 4.186 CV 1 ASSI { 2142} (( segid " A" and resid 251 and name HA1 )) (( segid " A" and resid 251 and name HA2 )) 2.300 0.700 0.700 peak 2142 spectrum 1 weight 0.10000E+01 volume 0.48680E-02 ppm1 4.298 ppm2 4.197 CV 1 ASSI { 2143} (( segid " A" and resid 193 and name HG1 )) (( segid " A" and resid 193 and name HA )) 2.700 0.900 0.900 peak 2143 spectrum 1 weight 0.10000E+01 volume 0.12709E-01 ppm1 2.431 ppm2 4.184 CV 1 OR { 2143} (( segid " A" and resid 193 and name HG2 )) (( segid " A" and resid 193 and name HA )) ASSI { 2144} (( segid " A" and resid 216 and name HB )) (( segid " A" and resid 251 and name HA2 )) 2.900 1.000 1.000 peak 2144 spectrum 1 weight 0.10000E+01 volume 0.28581E-02 ppm1 1.294 ppm2 4.188 CV 1 ASSI { 2145} (( segid " A" and resid 193 and name HB2 )) (( segid " A" and resid 193 and name HA )) 2.500 0.800 0.800 peak 2145 spectrum 1 weight 0.10000E+01 volume 0.82080E-02 ppm1 2.081 ppm2 4.186 CV 1 ASSI { 2146} ( segid " A" and resid 201 and name HD1%) (( segid " A" and resid 287 and name HB )) 3.900 1.900 1.900 peak 2146 spectrum 1 weight 0.10000E+01 volume 0.15456E-02 ppm1 0.793 ppm2 4.197 CV 1 ASSI { 2147} ( segid " A" and resid 108 and name HD2%) (( segid " A" and resid 287 and name HB )) 3.500 1.500 1.500 peak 2147 spectrum 1 weight 0.10000E+01 volume 0.28847E-02 ppm1 0.876 ppm2 4.192 CV 1 ASSI { 2148} ( segid " A" and resid 240 and name HD1%) (( segid " A" and resid 221 and name HB2 )) 4.500 2.500 1.500 peak 2148 spectrum 1 weight 0.10000E+01 volume 0.16021E-02 ppm1 -0.054 ppm2 4.201 CV 1 ASSI { 2149} ( segid " A" and resid 127 and name HG2%) (( segid " A" and resid 127 and name HB )) 2.300 0.700 0.700 peak 2149 spectrum 1 weight 0.10000E+01 volume 0.14465E-01 ppm1 1.327 ppm2 4.176 CV 1 ASSI { 2150} ( segid " A" and resid 267 and name HG1%) (( segid " A" and resid 268 and name HA )) 3.200 1.300 1.300 peak 2150 spectrum 1 weight 0.10000E+01 volume 0.28106E-02 ppm1 0.962 ppm2 4.204 CV 1 ASSI { 2151} ( segid " A" and resid 216 and name HG1%) (( segid " A" and resid 251 and name HA2 )) 4.000 2.000 2.000 peak 2151 spectrum 1 weight 0.10000E+01 volume 0.20924E-02 ppm1 0.667 ppm2 4.195 CV 1 ASSI { 2152} ( segid " A" and resid 216 and name HG2%) (( segid " A" and resid 251 and name HA2 )) 3.900 1.900 1.900 peak 2152 spectrum 1 weight 0.10000E+01 volume 0.21789E-02 ppm1 0.378 ppm2 4.179 CV 1 ASSI { 2153} ( segid " A" and resid 173 and name HE% ) (( segid " A" and resid 131 and name HA )) 3.800 1.800 1.800 peak 2153 spectrum 1 weight 0.10000E+01 volume 0.23961E-02 ppm1 1.393 ppm2 4.201 CV 1 ASSI { 2154} (( segid " A" and resid 163 and name HB2 )) (( segid " A" and resid 163 and name HA )) 2.600 0.800 0.800 peak 2154 spectrum 1 weight 0.10000E+01 volume 0.75738E-02 ppm1 2.131 ppm2 4.154 CV 1 ASSI { 2155} (( segid " A" and resid 163 and name HB1 )) (( segid " A" and resid 163 and name HA )) 2.300 0.700 0.700 peak 2155 spectrum 1 weight 0.10000E+01 volume 0.54232E-02 ppm1 1.699 ppm2 4.146 CV 1 ASSI { 2156} ( segid " A" and resid 123 and name HD1%) (( segid " A" and resid 127 and name HB )) 3.700 1.700 1.700 peak 2156 spectrum 1 weight 0.10000E+01 volume 0.30353E-02 ppm1 0.932 ppm2 4.165 CV 1 ASSI { 2159} (( segid " A" and resid 165 and name HA )) (( segid " A" and resid 136 and name HA2 )) 4.800 2.900 1.200 peak 2159 spectrum 1 weight 0.10000E+01 volume 0.12468E-02 ppm1 3.656 ppm2 4.118 CV 1 OR { 2159} (( segid " A" and resid 166 and name HA )) (( segid " A" and resid 163 and name HA )) ASSI { 2160} ( segid " A" and resid 111 and name HE% ) (( segid " A" and resid 163 and name HA )) 4.200 2.200 1.800 peak 2160 spectrum 1 weight 0.10000E+01 volume 0.26675E-02 ppm1 1.969 ppm2 4.142 CV 1 OR { 2160} ( segid " A" and resid 111 and name HE% ) (( segid " A" and resid 112 and name HA )) ASSI { 2161} (( segid " A" and resid 148 and name HA )) (( segid " A" and resid 149 and name HA )) 3.900 1.900 1.900 peak 2161 spectrum 1 weight 0.10000E+01 volume 0.15955E-02 ppm1 3.897 ppm2 4.115 CV 1 OR { 2161} (( segid " A" and resid 148 and name HA )) (( segid " A" and resid 149 and name HB )) ASSI { 2162} (( segid " A" and resid 258 and name HG2 )) (( segid " A" and resid 258 and name HA )) 2.500 0.800 0.800 peak 2162 spectrum 1 weight 0.10000E+01 volume 0.61839E-02 ppm1 2.138 ppm2 4.110 CV 1 ASSI { 2163} (( segid " A" and resid 110 and name HG11)) (( segid " A" and resid 109 and name HA )) 3.600 1.600 1.600 peak 2163 spectrum 1 weight 0.10000E+01 volume 0.49346E-02 ppm1 1.719 ppm2 4.095 CV 1 ASSI { 2164} ( segid " A" and resid 214 and name HB% ) (( segid " A" and resid 136 and name HA2 )) 2.900 1.100 1.100 peak 2164 spectrum 1 weight 0.10000E+01 volume 0.26308E-02 ppm1 1.267 ppm2 4.098 CV 1 ASSI { 2165} ( segid " A" and resid 165 and name HB% ) (( segid " A" and resid 136 and name HA2 )) 3.500 1.600 1.600 peak 2165 spectrum 1 weight 0.10000E+01 volume 0.45201E-02 ppm1 0.656 ppm2 4.109 CV 1 ASSI { 2166} (( segid " A" and resid 205 and name HA )) (( segid " A" and resid 204 and name HA )) 4.100 2.100 1.900 peak 2166 spectrum 1 weight 0.10000E+01 volume 0.12484E-02 ppm1 3.866 ppm2 4.060 CV 1 OR { 2166} (( segid " A" and resid 205 and name HA )) (( segid " A" and resid 203 and name HA )) ASSI { 2167} (( segid " A" and resid 277 and name HA1 )) (( segid " A" and resid 277 and name HA2 )) 2.000 0.500 0.500 peak 2167 spectrum 1 weight 0.10000E+01 volume 0.14673E-01 ppm1 3.595 ppm2 4.061 CV 1 ASSI { 2168} (( segid " A" and resid 206 and name HD1 )) (( segid " A" and resid 203 and name HA )) 2.300 0.600 0.600 peak 2168 spectrum 1 weight 0.10000E+01 volume 0.71585E-02 ppm1 3.278 ppm2 4.067 CV 1 OR { 2168} (( segid " A" and resid 206 and name HD2 )) (( segid " A" and resid 203 and name HA )) ASSI { 2169} (( segid " A" and resid 243 and name HB2 )) (( segid " A" and resid 244 and name HD2 )) 4.700 2.800 1.300 peak 2169 spectrum 1 weight 0.10000E+01 volume 0.11777E-02 ppm1 2.411 ppm2 4.061 CV 1 ASSI { 2171} (( segid " A" and resid 206 and name HG2 )) (( segid " A" and resid 203 and name HA )) 3.400 1.500 1.500 peak 2171 spectrum 1 weight 0.10000E+01 volume 0.76878E-02 ppm1 1.762 ppm2 4.070 CV 1 OR { 2171} (( segid " A" and resid 134 and name HG2 )) (( segid " A" and resid 134 and name HA )) ASSI { 2172} ( segid " A" and resid 240 and name HD2%) (( segid " A" and resid 253 and name HA2 )) 3.500 1.500 1.500 peak 2172 spectrum 1 weight 0.10000E+01 volume 0.98958E-02 ppm1 0.109 ppm2 4.067 CV 1 ASSI { 2173} ( segid " A" and resid 138 and name HG2%) (( segid " A" and resid 158 and name HA )) 3.800 1.800 1.800 peak 2173 spectrum 1 weight 0.10000E+01 volume 0.22763E-02 ppm1 0.540 ppm2 4.081 CV 1 OR { 2173} ( segid " A" and resid 128 and name HG2%) (( segid " A" and resid 158 and name HA )) ASSI { 2174} (( segid " A" and resid 165 and name HA )) (( segid " A" and resid 168 and name HA )) 5.100 3.200 0.900 peak 2174 spectrum 1 weight 0.10000E+01 volume 0.11094E-02 ppm1 3.648 ppm2 4.052 CV 1 ASSI { 2175} (( segid " A" and resid 134 and name HD1 )) (( segid " A" and resid 134 and name HA )) 3.700 1.700 1.700 peak 2175 spectrum 1 weight 0.10000E+01 volume 0.12468E-02 ppm1 3.713 ppm2 4.043 CV 1 ASSI { 2176} (( segid " A" and resid 134 and name HD2 )) (( segid " A" and resid 134 and name HA )) 4.100 2.100 1.900 peak 2176 spectrum 1 weight 0.10000E+01 volume 0.15264E-02 ppm1 3.075 ppm2 4.043 CV 1 ASSI { 2177} (( segid " A" and resid 174 and name HB2 )) (( segid " A" and resid 171 and name HA )) 4.100 2.100 1.900 peak 2177 spectrum 1 weight 0.10000E+01 volume 0.99291E-03 ppm1 2.969 ppm2 4.040 CV 1 OR { 2177} (( segid " A" and resid 271 and name HB2 )) (( segid " A" and resid 283 and name HA2 )) ASSI { 2178} (( segid " A" and resid 174 and name HB1 )) (( segid " A" and resid 171 and name HA )) 4.000 2.000 2.000 peak 2178 spectrum 1 weight 0.10000E+01 volume 0.70411E-03 ppm1 2.877 ppm2 4.034 CV 1 OR { 2178} (( segid " A" and resid 271 and name HB1 )) (( segid " A" and resid 283 and name HA2 )) ASSI { 2179} (( segid " A" and resid 172 and name HG2 )) (( segid " A" and resid 283 and name HA2 )) 3.600 1.600 1.600 peak 2179 spectrum 1 weight 0.10000E+01 volume 0.10562E-02 ppm1 2.776 ppm2 4.029 CV 1 OR { 2179} (( segid " A" and resid 172 and name HG2 )) (( segid " A" and resid 171 and name HA )) ASSI { 2180} (( segid " A" and resid 130 and name HG2 )) (( segid " A" and resid 130 and name HA )) 2.700 0.900 0.900 peak 2180 spectrum 1 weight 0.10000E+01 volume 0.62222E-02 ppm1 2.551 ppm2 4.029 CV 1 ASSI { 2181} (( segid " A" and resid 130 and name HG1 )) (( segid " A" and resid 130 and name HA )) 2.800 1.000 1.000 peak 2181 spectrum 1 weight 0.10000E+01 volume 0.93632E-02 ppm1 2.423 ppm2 4.043 CV 1 ASSI { 2182} (( segid " A" and resid 177 and name HB1 )) (( segid " A" and resid 176 and name HA )) 4.100 2.100 1.900 peak 2182 spectrum 1 weight 0.10000E+01 volume 0.13633E-02 ppm1 1.921 ppm2 4.047 CV 1 ASSI { 2183} (( segid " A" and resid 177 and name HB2 )) (( segid " A" and resid 176 and name HA )) 3.700 1.700 1.700 peak 2183 spectrum 1 weight 0.10000E+01 volume 0.20091E-02 ppm1 1.786 ppm2 4.054 CV 1 OR { 2183} (( segid " A" and resid 234 and name HB1 )) (( segid " A" and resid 235 and name HA )) OR { 2183} (( segid " A" and resid 234 and name HB2 )) (( segid " A" and resid 235 and name HA )) ASSI { 2184} (( segid " A" and resid 176 and name HB )) (( segid " A" and resid 176 and name HA )) 2.500 0.800 0.800 peak 2184 spectrum 1 weight 0.10000E+01 volume 0.73757E-02 ppm1 2.074 ppm2 4.050 CV 1 ASSI { 2186} (( segid " A" and resid 163 and name HG1 )) (( segid " A" and resid 163 and name HD1 )) 2.300 0.600 0.600 peak 2186 spectrum 1 weight 0.10000E+01 volume 0.66474E-02 ppm1 2.002 ppm2 4.049 CV 1 OR { 2186} (( segid " A" and resid 206 and name HG1 )) (( segid " A" and resid 203 and name HA )) ASSI { 2187} ( segid " A" and resid 176 and name HG1%) (( segid " A" and resid 176 and name HA )) 2.500 0.800 0.800 peak 2187 spectrum 1 weight 0.10000E+01 volume 0.10354E-01 ppm1 1.028 ppm2 4.051 CV 1 ASSI { 2188} ( segid " A" and resid 176 and name HG2%) (( segid " A" and resid 176 and name HA )) 3.000 1.100 1.100 peak 2188 spectrum 1 weight 0.10000E+01 volume 0.11352E-01 ppm1 0.895 ppm2 4.056 CV 1 ASSI { 2189} ( segid " A" and resid 213 and name HG2%) (( segid " A" and resid 253 and name HA1 )) 3.600 1.600 1.600 peak 2189 spectrum 1 weight 0.10000E+01 volume 0.12301E-02 ppm1 0.440 ppm2 4.046 CV 1 OR { 2189} ( segid " A" and resid 213 and name HG2%) (( segid " A" and resid 253 and name HA2 )) ASSI { 2190} ( segid " A" and resid 241 and name HB% ) (( segid " A" and resid 253 and name HA2 )) 3.300 1.400 1.400 peak 2190 spectrum 1 weight 0.10000E+01 volume 0.49679E-02 ppm1 0.764 ppm2 4.051 CV 1 OR { 2190} ( segid " A" and resid 241 and name HB% ) (( segid " A" and resid 253 and name HA1 )) OR { 2190} ( segid " A" and resid 162 and name HG2%) (( segid " A" and resid 163 and name HD1 )) ASSI { 2191} ( segid " A" and resid 169 and name HB% ) (( segid " A" and resid 168 and name HA )) 4.800 2.800 1.200 peak 2191 spectrum 1 weight 0.10000E+01 volume 0.89803E-03 ppm1 1.355 ppm2 4.041 CV 1 OR { 2191} ( segid " A" and resid 169 and name HB% ) (( segid " A" and resid 171 and name HA )) ASSI { 2192} ( segid " A" and resid 255 and name HG2%) (( segid " A" and resid 235 and name HA )) 3.800 1.800 1.800 peak 2192 spectrum 1 weight 0.10000E+01 volume 0.17062E-02 ppm1 0.228 ppm2 4.031 CV 1 ASSI { 2194} (( segid " A" and resid 127 and name HB )) (( segid " A" and resid 127 and name HA )) 2.800 1.000 1.000 peak 2194 spectrum 1 weight 0.10000E+01 volume 0.65151E-02 ppm1 4.179 ppm2 4.001 CV 1 ASSI { 2196} (( segid " A" and resid 243 and name HB2 )) (( segid " A" and resid 244 and name HD1 )) 5.700 4.000 0.300 peak 2196 spectrum 1 weight 0.10000E+01 volume 0.12151E-02 ppm1 2.415 ppm2 4.022 CV 1 ASSI { 2197} (( segid " A" and resid 226 and name HE1 )) (( segid " A" and resid 235 and name HA )) 4.500 2.500 1.500 peak 2197 spectrum 1 weight 0.10000E+01 volume 0.14840E-02 ppm1 2.870 ppm2 4.012 CV 1 OR { 2197} (( segid " A" and resid 226 and name HE2 )) (( segid " A" and resid 235 and name HA )) ASSI { 2198} (( segid " A" and resid 257 and name HB2 )) (( segid " A" and resid 262 and name HA )) 4.700 2.800 1.300 peak 2198 spectrum 1 weight 0.10000E+01 volume 0.82146E-03 ppm1 3.580 ppm2 4.027 CV 1 OR { 2198} (( segid " A" and resid 257 and name HB2 )) (( segid " A" and resid 235 and name HA )) ASSI { 2201} (( segid " A" and resid 111 and name HB2 )) (( segid " A" and resid 108 and name HA )) 2.700 0.900 0.900 peak 2201 spectrum 1 weight 0.10000E+01 volume 0.30778E-02 ppm1 2.281 ppm2 4.008 CV 1 OR { 2201} (( segid " A" and resid 111 and name HB1 )) (( segid " A" and resid 108 and name HA )) ASSI { 2202} (( segid " A" and resid 162 and name HB )) (( segid " A" and resid 163 and name HD1 )) 3.500 1.600 1.600 peak 2202 spectrum 1 weight 0.10000E+01 volume 0.66383E-02 ppm1 2.191 ppm2 4.023 CV 1 ASSI { 2203} (( segid " A" and resid 111 and name HG1 )) (( segid " A" and resid 108 and name HA )) 3.300 1.400 1.400 peak 2203 spectrum 1 weight 0.10000E+01 volume 0.14423E-02 ppm1 2.604 ppm2 4.004 CV 1 OR { 2203} (( segid " A" and resid 111 and name HG2 )) (( segid " A" and resid 108 and name HA )) ASSI { 2205} ( segid " A" and resid 127 and name HG2%) (( segid " A" and resid 127 and name HA )) 2.500 0.800 0.800 peak 2205 spectrum 1 weight 0.10000E+01 volume 0.12251E-01 ppm1 1.327 ppm2 4.000 CV 1 ASSI { 2208} ( segid " A" and resid 110 and name HG2%) (( segid " A" and resid 108 and name HA )) 3.300 3.300 2.700 peak 2208 spectrum 1 weight 0.10000E+01 volume 0.89054E-02 ppm1 0.843 ppm2 4.017 CV 1 ASSI { 2209} ( segid " A" and resid 111 and name HE% ) (( segid " A" and resid 108 and name HA )) 3.600 1.600 1.600 peak 2209 spectrum 1 weight 0.10000E+01 volume 0.41722E-02 ppm1 1.971 ppm2 4.002 CV 1 OR { 2209} ( segid " A" and resid 111 and name HE% ) (( segid " A" and resid 163 and name HD1 )) ASSI { 2210} ( segid " A" and resid 235 and name HD1%) (( segid " A" and resid 235 and name HA )) 3.900 1.900 1.900 peak 2210 spectrum 1 weight 0.10000E+01 volume 0.31768E-02 ppm1 0.700 ppm2 4.019 CV 1 ASSI { 2211} ( segid " A" and resid 128 and name HD1%) (( segid " A" and resid 127 and name HA )) 5.000 3.100 1.000 peak 2211 spectrum 1 weight 0.10000E+01 volume 0.66333E-03 ppm1 0.489 ppm2 4.000 CV 1 ASSI { 2212} ( segid " A" and resid 240 and name HD1%) (( segid " A" and resid 221 and name HB1 )) 4.600 2.600 1.400 peak 2212 spectrum 1 weight 0.10000E+01 volume 0.13300E-02 ppm1 -0.054 ppm2 3.995 CV 1 ASSI { 2213} (( segid " A" and resid 287 and name HB )) (( segid " A" and resid 288 and name HD2 )) 2.700 0.900 0.900 peak 2213 spectrum 1 weight 0.10000E+01 volume 0.43462E-02 ppm1 4.209 ppm2 3.948 CV 1 ASSI { 2215} (( segid " A" and resid 110 and name HG12)) (( segid " A" and resid 107 and name HA )) 5.000 3.100 1.000 peak 2215 spectrum 1 weight 0.10000E+01 volume 0.10279E-02 ppm1 1.040 ppm2 3.943 CV 1 ASSI { 2217} ( segid " A" and resid 287 and name HG2%) (( segid " A" and resid 288 and name HD2 )) 3.100 1.200 1.200 peak 2217 spectrum 1 weight 0.10000E+01 volume 0.51685E-02 ppm1 1.088 ppm2 3.953 CV 1 ASSI { 2218} ( segid " A" and resid 286 and name HG2%) (( segid " A" and resid 288 and name HD2 )) 4.300 2.300 1.700 peak 2218 spectrum 1 weight 0.10000E+01 volume 0.19001E-02 ppm1 0.559 ppm2 3.953 CV 1 OR { 2218} ( segid " A" and resid 286 and name HG2%) (( segid " A" and resid 202 and name HA )) ASSI { 2219} ( segid " A" and resid 255 and name HD1%) (( segid " A" and resid 225 and name HA )) 3.100 1.200 1.200 peak 2219 spectrum 1 weight 0.10000E+01 volume 0.10137E-02 ppm1 -0.131 ppm2 3.948 CV 1 ASSI { 2220} (( segid " A" and resid 288 and name HD1 )) (( segid " A" and resid 288 and name HD2 )) 2.300 0.700 0.700 peak 2220 spectrum 1 weight 0.10000E+01 volume 0.39808E-02 ppm1 3.516 ppm2 3.933 CV 1 OR { 2220} (( segid " A" and resid 137 and name HD1 )) (( segid " A" and resid 136 and name HA1 )) ASSI { 2221} (( segid " A" and resid 229 and name HB2 )) (( segid " A" and resid 225 and name HA )) 4.500 2.500 1.500 peak 2221 spectrum 1 weight 0.10000E+01 volume 0.76820E-03 ppm1 2.824 ppm2 3.917 CV 1 OR { 2221} (( segid " A" and resid 229 and name HB2 )) (( segid " A" and resid 228 and name HA )) OR { 2221} (( segid " A" and resid 229 and name HB2 )) (( segid " A" and resid 233 and name HA1 )) OR { 2221} (( segid " A" and resid 132 and name HB1 )) (( segid " A" and resid 135 and name HA )) ASSI { 2222} ( segid " A" and resid 275 and name HD2%) (( segid " A" and resid 225 and name HA )) 3.100 1.200 1.200 peak 2222 spectrum 1 weight 0.10000E+01 volume 0.31344E-02 ppm1 0.978 ppm2 3.930 CV 1 ASSI { 2223} ( segid " A" and resid 220 and name HD2%) (( segid " A" and resid 225 and name HA )) 4.200 2.300 1.800 peak 2223 spectrum 1 weight 0.10000E+01 volume 0.18177E-02 ppm1 0.932 ppm2 3.919 CV 1 OR { 2223} ( segid " A" and resid 220 and name HD2%) (( segid " A" and resid 217 and name HA )) ASSI { 2224} ( segid " A" and resid 267 and name HG2%) (( segid " A" and resid 264 and name HA )) 2.600 0.900 0.900 peak 2224 spectrum 1 weight 0.10000E+01 volume 0.63919E-02 ppm1 1.005 ppm2 3.936 CV 1 ASSI { 2225} ( segid " A" and resid 286 and name HG1%) (( segid " A" and resid 202 and name HA )) 4.000 2.000 2.000 peak 2225 spectrum 1 weight 0.10000E+01 volume 0.12617E-02 ppm1 0.795 ppm2 3.939 CV 1 ASSI { 2226} ( segid " A" and resid 216 and name HG2%) (( segid " A" and resid 225 and name HA )) 4.500 2.600 1.500 peak 2226 spectrum 1 weight 0.10000E+01 volume 0.19950E-02 ppm1 0.381 ppm2 3.934 CV 1 OR { 2226} ( segid " A" and resid 213 and name HG1%) (( segid " A" and resid 225 and name HA )) ASSI { 2227} ( segid " A" and resid 266 and name HB% ) (( segid " A" and resid 264 and name HA )) 4.200 2.200 1.800 peak 2227 spectrum 1 weight 0.10000E+01 volume 0.17137E-02 ppm1 1.341 ppm2 3.930 CV 1 OR { 2227} ( segid " A" and resid 266 and name HB% ) (( segid " A" and resid 268 and name HB2 )) OR { 2227} ( segid " A" and resid 266 and name HB% ) (( segid " A" and resid 268 and name HB1 )) OR { 2227} ( segid " A" and resid 266 and name HB% ) (( segid " A" and resid 225 and name HA )) ASSI { 2228} ( segid " A" and resid 270 and name HE% ) (( segid " A" and resid 225 and name HA )) 3.500 1.500 1.500 peak 2228 spectrum 1 weight 0.10000E+01 volume 0.16879E-02 ppm1 0.596 ppm2 3.931 CV 1 OR { 2228} ( segid " A" and resid 270 and name HE% ) (( segid " A" and resid 228 and name HA )) ASSI { 2229} (( segid " A" and resid 168 and name HB1 )) (( segid " A" and resid 135 and name HA )) 4.500 2.600 1.500 peak 2229 spectrum 1 weight 0.10000E+01 volume 0.11644E-02 ppm1 1.553 ppm2 3.898 CV 1 ASSI { 2230} (( segid " A" and resid 279 and name HB2 )) (( segid " A" and resid 272 and name HA )) 4.400 2.400 1.600 peak 2230 spectrum 1 weight 0.10000E+01 volume 0.19475E-02 ppm1 2.737 ppm2 3.898 CV 1 ASSI { 2231} (( segid " A" and resid 279 and name HB1 )) (( segid " A" and resid 272 and name HA )) 2.500 0.800 0.800 peak 2231 spectrum 1 weight 0.10000E+01 volume 0.29879E-02 ppm1 2.567 ppm2 3.906 CV 1 ASSI { 2232} (( segid " A" and resid 111 and name HB1 )) (( segid " A" and resid 111 and name HA )) 2.800 1.000 1.000 peak 2232 spectrum 1 weight 0.10000E+01 volume 0.38859E-02 ppm1 2.285 ppm2 3.900 CV 1 OR { 2232} (( segid " A" and resid 111 and name HB2 )) (( segid " A" and resid 111 and name HA )) ASSI { 2233} (( segid " A" and resid 200 and name HG1 )) (( segid " A" and resid 197 and name HA )) 4.200 2.300 1.800 peak 2233 spectrum 1 weight 0.10000E+01 volume 0.22363E-02 ppm1 2.554 ppm2 3.892 CV 1 ASSI { 2234} (( segid " A" and resid 218 and name HG1 )) (( segid " A" and resid 217 and name HA )) 5.900 4.300 0.100 peak 2234 spectrum 1 weight 0.10000E+01 volume 0.11244E-02 ppm1 2.189 ppm2 3.901 CV 1 ASSI { 2235} (( segid " A" and resid 111 and name HG2 )) (( segid " A" and resid 111 and name HA )) 3.200 1.300 1.300 peak 2235 spectrum 1 weight 0.10000E+01 volume 0.25668E-02 ppm1 2.606 ppm2 3.897 CV 1 OR { 2235} (( segid " A" and resid 111 and name HG1 )) (( segid " A" and resid 111 and name HA )) ASSI { 2237} (( segid " A" and resid 281 and name HB2 )) (( segid " A" and resid 135 and name HA )) 3.600 1.600 1.600 peak 2237 spectrum 1 weight 0.10000E+01 volume 0.15106E-02 ppm1 1.761 ppm2 3.890 CV 1 OR { 2237} (( segid " A" and resid 281 and name HB1 )) (( segid " A" and resid 135 and name HA )) OR { 2237} (( segid " A" and resid 196 and name HB1 )) (( segid " A" and resid 197 and name HA )) ASSI { 2238} (( segid " A" and resid 200 and name HB1 )) (( segid " A" and resid 197 and name HA )) 2.500 0.800 0.800 peak 2238 spectrum 1 weight 0.10000E+01 volume 0.57910E-02 ppm1 2.263 ppm2 3.887 CV 1 ASSI { 2239} (( segid " A" and resid 198 and name HG11)) (( segid " A" and resid 197 and name HA )) 4.400 2.400 1.600 peak 2239 spectrum 1 weight 0.10000E+01 volume 0.17936E-02 ppm1 1.226 ppm2 3.884 CV 1 OR { 2239} (( segid " A" and resid 198 and name HG11)) (( segid " A" and resid 111 and name HA )) ASSI { 2240} ( segid " A" and resid 148 and name HG1%) (( segid " A" and resid 148 and name HA )) 2.400 0.700 0.700 peak 2240 spectrum 1 weight 0.10000E+01 volume 0.20408E-01 ppm1 0.966 ppm2 3.900 CV 1 ASSI { 2241} ( segid " A" and resid 148 and name HG2%) (( segid " A" and resid 148 and name HA )) 2.600 0.900 0.900 peak 2241 spectrum 1 weight 0.10000E+01 volume 0.14998E-01 ppm1 0.883 ppm2 3.897 CV 1 ASSI { 2242} ( segid " A" and resid 198 and name HD1%) (( segid " A" and resid 111 and name HA )) 2.900 1.000 1.000 peak 2242 spectrum 1 weight 0.10000E+01 volume 0.10229E-01 ppm1 0.732 ppm2 3.910 CV 1 OR { 2242} ( segid " A" and resid 110 and name HD1%) (( segid " A" and resid 111 and name HA )) ASSI { 2243} (( segid " A" and resid 198 and name HA )) (( segid " A" and resid 197 and name HA )) 4.200 2.200 1.800 peak 2243 spectrum 1 weight 0.10000E+01 volume 0.90469E-03 ppm1 3.553 ppm2 3.870 CV 1 ASSI { 2244} ( segid " A" and resid 216 and name HG2%) (( segid " A" and resid 215 and name HA )) 3.100 1.200 1.200 peak 2244 spectrum 1 weight 0.10000E+01 volume 0.18860E-02 ppm1 0.381 ppm2 3.854 CV 1 OR { 2244} ( segid " A" and resid 213 and name HG1%) (( segid " A" and resid 263 and name HB1 )) ASSI { 2245} ( segid " A" and resid 198 and name HG2%) (( segid " A" and resid 111 and name HA )) 3.700 1.700 1.700 peak 2245 spectrum 1 weight 0.10000E+01 volume 0.38293E-02 ppm1 0.932 ppm2 3.880 CV 1 OR { 2245} ( segid " A" and resid 198 and name HG2%) (( segid " A" and resid 197 and name HA )) ASSI { 2246} (( segid " A" and resid 216 and name HB )) (( segid " A" and resid 215 and name HA )) 4.700 2.700 1.300 peak 2246 spectrum 1 weight 0.10000E+01 volume 0.94797E-03 ppm1 1.293 ppm2 3.832 CV 1 ASSI { 2247} ( segid " A" and resid 211 and name HG2%) (( segid " A" and resid 263 and name HB1 )) 3.200 1.300 1.300 peak 2247 spectrum 1 weight 0.10000E+01 volume 0.90802E-02 ppm1 0.967 ppm2 3.840 CV 1 ASSI { 2249} (( segid " A" and resid 266 and name HA )) (( segid " A" and resid 269 and name HB1 )) 4.400 2.400 1.600 peak 2249 spectrum 1 weight 0.10000E+01 volume 0.12934E-02 ppm1 2.335 ppm2 3.745 CV 1 ASSI { 2250} (( segid " A" and resid 170 and name HB2 )) (( segid " A" and resid 170 and name HA )) 2.300 0.700 0.700 peak 2250 spectrum 1 weight 0.10000E+01 volume 0.69596E-02 ppm1 1.794 ppm2 3.738 CV 1 ASSI { 2251} (( segid " A" and resid 170 and name HB1 )) (( segid " A" and resid 170 and name HA )) 2.800 1.000 1.000 peak 2251 spectrum 1 weight 0.10000E+01 volume 0.74606E-02 ppm1 1.573 ppm2 3.740 CV 1 ASSI { 2252} (( segid " A" and resid 138 and name HB )) (( segid " A" and resid 138 and name HA )) 3.100 1.200 1.200 peak 2252 spectrum 1 weight 0.10000E+01 volume 0.22497E-02 ppm1 1.648 ppm2 3.755 CV 1 ASSI { 2253} (( segid " A" and resid 185 and name HB )) (( segid " A" and resid 170 and name HA )) 2.900 1.000 1.000 peak 2253 spectrum 1 weight 0.10000E+01 volume 0.33616E-02 ppm1 1.897 ppm2 3.751 CV 1 ASSI { 2254} (( segid " A" and resid 139 and name HB2 )) (( segid " A" and resid 138 and name HA )) 4.500 2.600 1.500 peak 2254 spectrum 1 weight 0.10000E+01 volume 0.13350E-02 ppm1 1.531 ppm2 3.757 CV 1 OR { 2254} (( segid " A" and resid 139 and name HB2 )) (( segid " A" and resid 140 and name HB1 )) ASSI { 2255} (( segid " A" and resid 139 and name HB1 )) (( segid " A" and resid 138 and name HA )) 4.000 2.000 2.000 peak 2255 spectrum 1 weight 0.10000E+01 volume 0.14815E-02 ppm1 1.417 ppm2 3.749 CV 1 OR { 2255} (( segid " A" and resid 139 and name HB1 )) (( segid " A" and resid 140 and name HB1 )) ASSI { 2256} (( segid " A" and resid 270 and name HG1 )) (( segid " A" and resid 269 and name HB1 )) 4.200 2.200 1.800 peak 2256 spectrum 1 weight 0.10000E+01 volume 0.90469E-03 ppm1 1.634 ppm2 3.755 CV 1 OR { 2256} (( segid " A" and resid 248 and name HB1 )) (( segid " A" and resid 247 and name HA1 )) ASSI { 2257} (( segid " A" and resid 138 and name HG12)) (( segid " A" and resid 138 and name HA )) 2.700 0.900 0.900 peak 2257 spectrum 1 weight 0.10000E+01 volume 0.21356E-02 ppm1 1.913 ppm2 3.740 CV 1 ASSI { 2259} (( segid " A" and resid 170 and name HG )) (( segid " A" and resid 170 and name HA )) 2.700 0.900 0.900 peak 2259 spectrum 1 weight 0.10000E+01 volume 0.45468E-02 ppm1 1.716 ppm2 3.738 CV 1 ASSI { 2260} ( segid " A" and resid 170 and name HD1%) (( segid " A" and resid 170 and name HA )) 2.700 2.700 3.300 peak 2260 spectrum 1 weight 0.10000E+01 volume 0.17628E-01 ppm1 0.809 ppm2 3.742 CV 1 ASSI { 2261} ( segid " A" and resid 240 and name HD1%) (( segid " A" and resid 222 and name HA )) 2.700 0.900 0.900 peak 2261 spectrum 1 weight 0.10000E+01 volume 0.57303E-02 ppm1 -0.053 ppm2 3.736 CV 1 ASSI { 2262} ( segid " A" and resid 114 and name HG2%) (( segid " A" and resid 170 and name HA )) 3.300 1.400 1.400 peak 2262 spectrum 1 weight 0.10000E+01 volume 0.60324E-02 ppm1 0.931 ppm2 3.740 CV 1 OR { 2262} ( segid " A" and resid 123 and name HD1%) (( segid " A" and resid 128 and name HA )) ASSI { 2263} ( segid " A" and resid 158 and name HG1%) (( segid " A" and resid 138 and name HA )) 3.500 1.500 1.500 peak 2263 spectrum 1 weight 0.10000E+01 volume 0.23063E-02 ppm1 0.127 ppm2 3.743 CV 1 ASSI { 2264} (( segid " A" and resid 127 and name HB )) (( segid " A" and resid 128 and name HA )) 4.200 2.200 1.800 peak 2264 spectrum 1 weight 0.10000E+01 volume 0.93798E-03 ppm1 4.172 ppm2 3.723 CV 1 OR { 2264} (( segid " A" and resid 127 and name HB )) (( segid " A" and resid 125 and name HA )) ASSI { 2265} (( segid " A" and resid 221 and name HB1 )) (( segid " A" and resid 222 and name HA )) 4.200 2.200 1.800 peak 2265 spectrum 1 weight 0.10000E+01 volume 0.11494E-02 ppm1 3.999 ppm2 3.727 CV 1 OR { 2265} (( segid " A" and resid 127 and name HA )) (( segid " A" and resid 128 and name HA )) ASSI { 2266} (( segid " A" and resid 225 and name HA )) (( segid " A" and resid 226 and name HA )) 4.000 2.000 2.000 peak 2266 spectrum 1 weight 0.10000E+01 volume 0.11344E-02 ppm1 3.939 ppm2 3.727 CV 1 OR { 2266} (( segid " A" and resid 225 and name HA )) (( segid " A" and resid 222 and name HA )) ASSI { 2267} (( segid " A" and resid 134 and name HD2 )) (( segid " A" and resid 134 and name HD1 )) 1.900 0.500 0.500 peak 2267 spectrum 1 weight 0.10000E+01 volume 0.81980E-02 ppm1 3.075 ppm2 3.714 CV 1 ASSI { 2269} (( segid " A" and resid 167 and name HG1 )) (( segid " A" and resid 167 and name HA )) 3.500 1.500 1.500 peak 2269 spectrum 1 weight 0.10000E+01 volume 0.38859E-02 ppm1 2.170 ppm2 3.719 CV 1 ASSI { 2270} (( segid " A" and resid 256 and name HB2 )) (( segid " A" and resid 263 and name HB2 )) 4.700 2.800 1.300 peak 2270 spectrum 1 weight 0.10000E+01 volume 0.14723E-02 ppm1 1.777 ppm2 3.722 CV 1 OR { 2270} (( segid " A" and resid 256 and name HB2 )) (( segid " A" and resid 263 and name HA )) OR { 2270} (( segid " A" and resid 234 and name HB2 )) (( segid " A" and resid 263 and name HA )) OR { 2270} (( segid " A" and resid 234 and name HB1 )) (( segid " A" and resid 263 and name HA )) OR { 2270} (( segid " A" and resid 234 and name HB2 )) (( segid " A" and resid 263 and name HB2 )) ASSI { 2271} (( segid " A" and resid 134 and name HB1 )) (( segid " A" and resid 134 and name HD1 )) 4.600 2.600 1.400 peak 2271 spectrum 1 weight 0.10000E+01 volume 0.12984E-02 ppm1 0.263 ppm2 3.719 CV 1 ASSI { 2272} (( segid " A" and resid 125 and name HB2 )) (( segid " A" and resid 125 and name HA )) 2.600 0.800 0.800 peak 2272 spectrum 1 weight 0.10000E+01 volume 0.51152E-02 ppm1 2.158 ppm2 3.717 CV 1 ASSI { 2273} (( segid " A" and resid 134 and name HG2 )) (( segid " A" and resid 134 and name HD1 )) 3.200 1.300 1.300 peak 2273 spectrum 1 weight 0.10000E+01 volume 0.26175E-02 ppm1 1.784 ppm2 3.709 CV 1 ASSI { 2274} (( segid " A" and resid 128 and name HG12)) (( segid " A" and resid 128 and name HA )) 3.200 1.300 1.300 peak 2274 spectrum 1 weight 0.10000E+01 volume 0.32859E-02 ppm1 1.202 ppm2 3.725 CV 1 OR { 2274} (( segid " A" and resid 128 and name HG11)) (( segid " A" and resid 128 and name HA )) ASSI { 2275} ( segid " A" and resid 170 and name HD2%) (( segid " A" and resid 170 and name HA )) 2.800 1.000 1.000 peak 2275 spectrum 1 weight 0.10000E+01 volume 0.14615E-01 ppm1 0.796 ppm2 3.730 CV 1 ASSI { 2276} ( segid " A" and resid 127 and name HG2%) (( segid " A" and resid 128 and name HA )) 3.300 1.300 1.300 peak 2276 spectrum 1 weight 0.10000E+01 volume 0.26442E-02 ppm1 1.327 ppm2 3.723 CV 1 ASSI { 2277} ( segid " A" and resid 286 and name HG1%) (( segid " A" and resid 167 and name HA )) 3.100 1.200 1.200 peak 2277 spectrum 1 weight 0.10000E+01 volume 0.11178E-02 ppm1 0.793 ppm2 3.719 CV 1 ASSI { 2278} ( segid " A" and resid 216 and name HG2%) (( segid " A" and resid 222 and name HA )) 4.700 2.800 1.300 peak 2278 spectrum 1 weight 0.10000E+01 volume 0.10029E-02 ppm1 0.382 ppm2 3.719 CV 1 OR { 2278} ( segid " A" and resid 213 and name HG1%) (( segid " A" and resid 263 and name HB2 )) OR { 2278} ( segid " A" and resid 213 and name HG1%) (( segid " A" and resid 226 and name HA )) OR { 2278} ( segid " A" and resid 213 and name HG1%) (( segid " A" and resid 263 and name HA )) ASSI { 2279} ( segid " A" and resid 240 and name HD2%) (( segid " A" and resid 222 and name HA )) 3.400 1.400 1.400 peak 2279 spectrum 1 weight 0.10000E+01 volume 0.27241E-02 ppm1 0.110 ppm2 3.735 CV 1 ASSI { 2280} ( segid " A" and resid 266 and name HB% ) (( segid " A" and resid 263 and name HB2 )) 3.000 3.000 3.000 peak 2280 spectrum 1 weight 0.10000E+01 volume 0.58110E-02 ppm1 1.339 ppm2 3.725 CV 1 ASSI { 2281} ( segid " A" and resid 211 and name HG2%) (( segid " A" and resid 263 and name HB2 )) 2.200 0.600 0.600 peak 2281 spectrum 1 weight 0.10000E+01 volume 0.88555E-02 ppm1 0.970 ppm2 3.735 CV 1 OR { 2281} ( segid " A" and resid 211 and name HG2%) (( segid " A" and resid 263 and name HA )) ASSI { 2282} ( segid " A" and resid 255 and name HG2%) (( segid " A" and resid 226 and name HA )) 3.700 1.700 1.700 peak 2282 spectrum 1 weight 0.10000E+01 volume 0.15431E-02 ppm1 0.224 ppm2 3.710 CV 1 ASSI { 2283} ( segid " A" and resid 133 and name HB% ) (( segid " A" and resid 134 and name HD1 )) 2.300 0.700 0.700 peak 2283 spectrum 1 weight 0.10000E+01 volume 0.70919E-02 ppm1 1.618 ppm2 3.708 CV 1 ASSI { 2285} ( segid " A" and resid 173 and name HE% ) (( segid " A" and resid 170 and name HA )) 4.200 2.200 1.800 peak 2285 spectrum 1 weight 0.10000E+01 volume 0.99375E-03 ppm1 1.392 ppm2 3.726 CV 1 OR { 2285} ( segid " A" and resid 173 and name HE% ) (( segid " A" and resid 128 and name HA )) ASSI { 2286} (( segid " A" and resid 196 and name HD1 )) (( segid " A" and resid 196 and name HD2 )) 1.900 0.500 0.500 peak 2286 spectrum 1 weight 0.10000E+01 volume 0.91634E-02 ppm1 3.512 ppm2 3.688 CV 1 ASSI { 2287} (( segid " A" and resid 230 and name HG2 )) (( segid " A" and resid 226 and name HA )) 5.500 3.700 0.500 peak 2287 spectrum 1 weight 0.10000E+01 volume 0.85642E-03 ppm1 2.548 ppm2 3.684 CV 1 OR { 2287} (( segid " A" and resid 230 and name HG1 )) (( segid " A" and resid 226 and name HA )) ASSI { 2288} (( segid " A" and resid 195 and name HG1 )) (( segid " A" and resid 196 and name HD2 )) 4.200 2.200 1.800 peak 2288 spectrum 1 weight 0.10000E+01 volume 0.29263E-02 ppm1 2.373 ppm2 3.704 CV 1 OR { 2288} (( segid " A" and resid 195 and name HG2 )) (( segid " A" and resid 196 and name HD2 )) OR { 2288} (( segid " A" and resid 264 and name HG1 )) (( segid " A" and resid 263 and name HA )) ASSI { 2290} (( segid " A" and resid 196 and name HB1 )) (( segid " A" and resid 196 and name HD2 )) 4.100 2.100 1.900 peak 2290 spectrum 1 weight 0.10000E+01 volume 0.24336E-02 ppm1 1.765 ppm2 3.689 CV 1 ASSI { 2291} (( segid " A" and resid 235 and name HG12)) (( segid " A" and resid 226 and name HA )) 3.300 1.400 1.400 peak 2291 spectrum 1 weight 0.10000E+01 volume 0.62596E-02 ppm1 1.959 ppm2 3.701 CV 1 OR { 2291} (( segid " A" and resid 129 and name HB2 )) (( segid " A" and resid 125 and name HA )) OR { 2291} (( segid " A" and resid 129 and name HB2 )) (( segid " A" and resid 128 and name HA )) ASSI { 2292} (( segid " A" and resid 196 and name HG1 )) (( segid " A" and resid 196 and name HD2 )) 3.200 1.300 1.300 peak 2292 spectrum 1 weight 0.10000E+01 volume 0.53424E-02 ppm1 2.076 ppm2 3.694 CV 1 ASSI { 2293} (( segid " A" and resid 196 and name HG2 )) (( segid " A" and resid 196 and name HD2 )) 2.500 0.800 0.800 peak 2293 spectrum 1 weight 0.10000E+01 volume 0.48481E-02 ppm1 2.002 ppm2 3.690 CV 1 ASSI { 2294} ( segid " A" and resid 158 and name HG2%) (( segid " A" and resid 128 and name HA )) 3.300 1.400 1.400 peak 2294 spectrum 1 weight 0.10000E+01 volume 0.11627E-02 ppm1 0.031 ppm2 3.703 CV 1 OR { 2294} ( segid " A" and resid 158 and name HG2%) (( segid " A" and resid 140 and name HB2 )) OR { 2294} ( segid " A" and resid 158 and name HG2%) (( segid " A" and resid 125 and name HA )) ASSI { 2295} ( segid " A" and resid 235 and name HD1%) (( segid " A" and resid 226 and name HA )) 2.300 0.600 0.600 peak 2295 spectrum 1 weight 0.10000E+01 volume 0.52018E-02 ppm1 0.700 ppm2 3.698 CV 1 ASSI { 2296} ( segid " A" and resid 255 and name HD1%) (( segid " A" and resid 226 and name HA )) 3.200 1.300 1.300 peak 2296 spectrum 1 weight 0.10000E+01 volume 0.14632E-02 ppm1 -0.130 ppm2 3.703 CV 1 ASSI { 2299} (( segid " A" and resid 135 and name HB1 )) (( segid " A" and resid 165 and name HA )) 3.000 1.100 1.100 peak 2299 spectrum 1 weight 0.10000E+01 volume 0.13050E-02 ppm1 3.453 ppm2 3.653 CV 1 ASSI { 2300} (( segid " A" and resid 121 and name HB2 )) (( segid " A" and resid 121 and name HA )) 2.900 1.100 1.100 peak 2300 spectrum 1 weight 0.10000E+01 volume 0.37062E-02 ppm1 2.823 ppm2 3.653 CV 1 ASSI { 2301} (( segid " A" and resid 113 and name HB2 )) (( segid " A" and resid 110 and name HA )) 3.300 1.400 1.400 peak 2301 spectrum 1 weight 0.10000E+01 volume 0.13067E-02 ppm1 1.733 ppm2 3.668 CV 1 ASSI { 2304} (( segid " A" and resid 138 and name HG12)) (( segid " A" and resid 129 and name HA )) 3.900 1.900 1.900 peak 2304 spectrum 1 weight 0.10000E+01 volume 0.37494E-02 ppm1 1.901 ppm2 3.661 CV 1 ASSI { 2305} (( segid " A" and resid 129 and name HG1 )) (( segid " A" and resid 129 and name HA )) 2.700 0.900 0.900 peak 2305 spectrum 1 weight 0.10000E+01 volume 0.48680E-02 ppm1 1.541 ppm2 3.667 CV 1 OR { 2305} (( segid " A" and resid 129 and name HG2 )) (( segid " A" and resid 129 and name HA )) ASSI { 2306} ( segid " A" and resid 168 and name HD2%) (( segid " A" and resid 165 and name HA )) 3.000 1.100 1.100 peak 2306 spectrum 1 weight 0.10000E+01 volume 0.23462E-02 ppm1 1.024 ppm2 3.651 CV 1 ASSI { 2307} ( segid " A" and resid 114 and name HG2%) (( segid " A" and resid 166 and name HA )) 3.100 1.200 1.200 peak 2307 spectrum 1 weight 0.10000E+01 volume 0.59284E-02 ppm1 0.928 ppm2 3.669 CV 1 ASSI { 2308} ( segid " A" and resid 214 and name HB% ) (( segid " A" and resid 165 and name HA )) 3.000 3.000 3.000 peak 2308 spectrum 1 weight 0.10000E+01 volume 0.13982E-02 ppm1 1.269 ppm2 3.664 CV 1 ASSI { 2309} ( segid " A" and resid 114 and name HG1%) (( segid " A" and resid 166 and name HA )) 2.900 1.100 1.100 peak 2309 spectrum 1 weight 0.10000E+01 volume 0.59383E-02 ppm1 0.898 ppm2 3.658 CV 1 ASSI { 2310} ( segid " A" and resid 169 and name HB% ) (( segid " A" and resid 166 and name HA )) 2.600 0.800 0.800 peak 2310 spectrum 1 weight 0.10000E+01 volume 0.68838E-02 ppm1 1.350 ppm2 3.657 CV 1 ASSI { 2311} (( segid " A" and resid 164 and name HA )) (( segid " A" and resid 165 and name HA )) 4.100 2.100 1.900 peak 2311 spectrum 1 weight 0.10000E+01 volume 0.98626E-03 ppm1 3.319 ppm2 3.635 CV 1 OR { 2311} (( segid " A" and resid 164 and name HA )) (( segid " A" and resid 166 and name HA )) ASSI { 2312} (( segid " A" and resid 217 and name HA )) (( segid " A" and resid 218 and name HA )) 3.700 1.700 1.700 peak 2312 spectrum 1 weight 0.10000E+01 volume 0.27574E-02 ppm1 3.896 ppm2 3.640 CV 1 OR { 2312} (( segid " A" and resid 135 and name HA )) (( segid " A" and resid 165 and name HA )) ASSI { 2313} ( segid " A" and resid 220 and name HD2%) (( segid " A" and resid 276 and name HA1 )) 3.300 1.400 1.400 peak 2313 spectrum 1 weight 0.10000E+01 volume 0.28680E-02 ppm1 0.930 ppm2 3.646 CV 1 OR { 2313} ( segid " A" and resid 220 and name HD2%) (( segid " A" and resid 276 and name HA2 )) ASSI { 2314} ( segid " A" and resid 220 and name HD1%) (( segid " A" and resid 276 and name HA1 )) 3.400 1.400 1.400 peak 2314 spectrum 1 weight 0.10000E+01 volume 0.27540E-02 ppm1 0.800 ppm2 3.647 CV 1 OR { 2314} ( segid " A" and resid 220 and name HD1%) (( segid " A" and resid 276 and name HA2 )) ASSI { 2315} (( segid " A" and resid 162 and name HA )) (( segid " A" and resid 163 and name HD2 )) 2.800 1.000 1.000 peak 2315 spectrum 1 weight 0.10000E+01 volume 0.28647E-02 ppm1 4.865 ppm2 3.593 CV 1 ASSI { 2317} (( segid " A" and resid 277 and name HA2 )) (( segid " A" and resid 277 and name HA1 )) 2.000 0.500 0.500 peak 2317 spectrum 1 weight 0.10000E+01 volume 0.14523E-01 ppm1 4.065 ppm2 3.605 CV 1 ASSI { 2318} (( segid " A" and resid 163 and name HB2 )) (( segid " A" and resid 163 and name HD2 )) 3.500 1.500 1.500 peak 2318 spectrum 1 weight 0.10000E+01 volume 0.59284E-02 ppm1 2.137 ppm2 3.589 CV 1 ASSI { 2319} (( segid " A" and resid 163 and name HB1 )) (( segid " A" and resid 163 and name HD2 )) 4.000 2.000 2.000 peak 2319 spectrum 1 weight 0.10000E+01 volume 0.18885E-02 ppm1 1.696 ppm2 3.589 CV 1 ASSI { 2320} ( segid " A" and resid 162 and name HG2%) (( segid " A" and resid 163 and name HD2 )) 3.700 1.700 1.700 peak 2320 spectrum 1 weight 0.10000E+01 volume 0.39101E-02 ppm1 0.762 ppm2 3.611 CV 1 ASSI { 2321} (( segid " A" and resid 163 and name HA )) (( segid " A" and resid 163 and name HD2 )) 4.200 2.200 1.800 peak 2321 spectrum 1 weight 0.10000E+01 volume 0.88472E-03 ppm1 4.143 ppm2 3.575 CV 1 ASSI { 2322} (( segid " A" and resid 263 and name HB1 )) (( segid " A" and resid 257 and name HB2 )) 2.500 0.800 0.800 peak 2322 spectrum 1 weight 0.10000E+01 volume 0.16471E-02 ppm1 3.845 ppm2 3.568 CV 1 ASSI { 2323} (( segid " A" and resid 263 and name HB2 )) (( segid " A" and resid 257 and name HB2 )) 4.000 2.000 2.000 peak 2323 spectrum 1 weight 0.10000E+01 volume 0.21356E-02 ppm1 3.753 ppm2 3.573 CV 1 ASSI { 2324} (( segid " A" and resid 257 and name HA )) (( segid " A" and resid 257 and name HB2 )) 3.500 1.500 1.500 peak 2324 spectrum 1 weight 0.10000E+01 volume 0.95962E-03 ppm1 4.945 ppm2 3.580 CV 1 ASSI { 2325} (( segid " A" and resid 260 and name HA )) (( segid " A" and resid 209 and name HB2 )) 3.700 1.700 1.700 peak 2325 spectrum 1 weight 0.10000E+01 volume 0.27740E-02 ppm1 3.939 ppm2 3.568 CV 1 ASSI { 2326} (( segid " A" and resid 257 and name HB1 )) (( segid " A" and resid 257 and name HB2 )) 2.000 0.500 0.500 peak 2326 spectrum 1 weight 0.10000E+01 volume 0.34182E-02 ppm1 2.759 ppm2 3.571 CV 1 ASSI { 2327} (( segid " A" and resid 159 and name HG1 )) (( segid " A" and resid 112 and name HB1 )) 3.500 1.500 1.500 peak 2327 spectrum 1 weight 0.10000E+01 volume 0.17636E-02 ppm1 2.026 ppm2 3.584 CV 1 OR { 2327} (( segid " A" and resid 159 and name HG2 )) (( segid " A" and resid 112 and name HB1 )) ASSI { 2328} (( segid " A" and resid 111 and name HB2 )) (( segid " A" and resid 112 and name HB1 )) 4.800 2.900 1.200 peak 2328 spectrum 1 weight 0.10000E+01 volume 0.11411E-02 ppm1 2.280 ppm2 3.563 CV 1 OR { 2328} (( segid " A" and resid 111 and name HB1 )) (( segid " A" and resid 112 and name HB1 )) ASSI { 2329} ( segid " A" and resid 108 and name HD2%) (( segid " A" and resid 163 and name HD2 )) 4.100 2.100 1.900 peak 2329 spectrum 1 weight 0.10000E+01 volume 0.31202E-02 ppm1 0.876 ppm2 3.582 CV 1 ASSI { 2330} ( segid " A" and resid 162 and name HG1%) (( segid " A" and resid 163 and name HD2 )) 3.300 1.400 1.400 peak 2330 spectrum 1 weight 0.10000E+01 volume 0.52758E-02 ppm1 1.063 ppm2 3.587 CV 1 ASSI { 2331} ( segid " A" and resid 211 and name HG2%) (( segid " A" and resid 257 and name HB2 )) 5.400 3.700 0.600 peak 2331 spectrum 1 weight 0.10000E+01 volume 0.10129E-02 ppm1 0.968 ppm2 3.566 CV 1 ASSI { 2332} ( segid " A" and resid 286 and name HG2%) (( segid " A" and resid 163 and name HD2 )) 4.000 2.000 2.000 peak 2332 spectrum 1 weight 0.10000E+01 volume 0.11311E-02 ppm1 0.558 ppm2 3.575 CV 1 ASSI { 2333} (( segid " A" and resid 287 and name HB )) (( segid " A" and resid 288 and name HD1 )) 3.700 1.700 1.700 peak 2333 spectrum 1 weight 0.10000E+01 volume 0.44735E-02 ppm1 4.212 ppm2 3.539 CV 1 ASSI { 2334} (( segid " A" and resid 204 and name HA )) (( segid " A" and resid 288 and name HD1 )) 4.900 3.000 1.100 peak 2334 spectrum 1 weight 0.10000E+01 volume 0.79150E-03 ppm1 4.035 ppm2 3.532 CV 1 OR { 2334} (( segid " A" and resid 130 and name HA )) (( segid " A" and resid 132 and name HB2 )) ASSI { 2335} (( segid " A" and resid 201 and name HA )) (( segid " A" and resid 288 and name HD1 )) 3.700 1.700 1.700 peak 2335 spectrum 1 weight 0.10000E+01 volume 0.17420E-02 ppm1 3.971 ppm2 3.542 CV 1 ASSI { 2336} (( segid " A" and resid 201 and name HB1 )) (( segid " A" and resid 198 and name HA )) 4.500 2.500 1.500 peak 2336 spectrum 1 weight 0.10000E+01 volume 0.13616E-02 ppm1 1.438 ppm2 3.549 CV 1 ASSI { 2338} (( segid " A" and resid 184 and name HB1 )) (( segid " A" and resid 117 and name HA1 )) 3.900 1.900 1.900 peak 2338 spectrum 1 weight 0.10000E+01 volume 0.70661E-03 ppm1 1.596 ppm2 3.537 CV 1 ASSI { 2339} (( segid " A" and resid 217 and name HB1 )) (( segid " A" and resid 216 and name HA )) 5.400 3.600 0.600 peak 2339 spectrum 1 weight 0.10000E+01 volume 0.81397E-03 ppm1 2.837 ppm2 3.558 CV 1 ASSI { 2340} ( segid " A" and resid 220 and name HD2%) (( segid " A" and resid 216 and name HA )) 3.600 1.600 1.600 peak 2340 spectrum 1 weight 0.10000E+01 volume 0.25701E-02 ppm1 0.931 ppm2 3.542 CV 1 ASSI { 2341} ( segid " A" and resid 201 and name HD1%) (( segid " A" and resid 198 and name HA )) 2.700 0.900 0.900 peak 2341 spectrum 1 weight 0.10000E+01 volume 0.59383E-02 ppm1 0.797 ppm2 3.551 CV 1 OR { 2341} ( segid " A" and resid 201 and name HD1%) (( segid " A" and resid 288 and name HD1 )) ASSI { 2342} ( segid " A" and resid 201 and name HD2%) (( segid " A" and resid 288 and name HD1 )) 3.100 1.200 1.200 peak 2342 spectrum 1 weight 0.10000E+01 volume 0.72151E-02 ppm1 0.810 ppm2 3.538 CV 1 ASSI { 2343} ( segid " A" and resid 287 and name HG2%) (( segid " A" and resid 288 and name HD1 )) 3.600 1.600 1.600 peak 2343 spectrum 1 weight 0.10000E+01 volume 0.50619E-02 ppm1 1.085 ppm2 3.546 CV 1 ASSI { 2344} ( segid " A" and resid 158 and name HG1%) (( segid " A" and resid 132 and name HB2 )) 3.400 1.500 1.500 peak 2344 spectrum 1 weight 0.10000E+01 volume 0.29080E-02 ppm1 0.133 ppm2 3.543 CV 1 ASSI { 2345} ( segid " A" and resid 158 and name HG2%) (( segid " A" and resid 132 and name HB2 )) 3.800 1.800 1.800 peak 2345 spectrum 1 weight 0.10000E+01 volume 0.10978E-02 ppm1 0.031 ppm2 3.541 CV 1 ASSI { 2346} ( segid " A" and resid 205 and name HB% ) (( segid " A" and resid 288 and name HD1 )) 3.300 1.300 1.300 peak 2346 spectrum 1 weight 0.10000E+01 volume 0.21490E-02 ppm1 1.150 ppm2 3.538 CV 1 ASSI { 2347} ( segid " A" and resid 197 and name HG2%) (( segid " A" and resid 198 and name HA )) 3.300 1.400 1.400 peak 2347 spectrum 1 weight 0.10000E+01 volume 0.22022E-02 ppm1 0.881 ppm2 3.544 CV 1 ASSI { 2348} ( segid " A" and resid 138 and name HG2%) (( segid " A" and resid 132 and name HB2 )) 3.600 1.600 1.600 peak 2348 spectrum 1 weight 0.10000E+01 volume 0.19217E-02 ppm1 0.543 ppm2 3.542 CV 1 OR { 2348} ( segid " A" and resid 128 and name HG2%) (( segid " A" and resid 132 and name HB2 )) ASSI { 2349} ( segid " A" and resid 111 and name HE% ) (( segid " A" and resid 198 and name HA )) 3.200 1.300 1.300 peak 2349 spectrum 1 weight 0.10000E+01 volume 0.38343E-02 ppm1 1.971 ppm2 3.557 CV 1 ASSI { 2350} ( segid " A" and resid 138 and name HD1%) (( segid " A" and resid 132 and name HB2 )) 2.400 0.700 0.700 peak 2350 spectrum 1 weight 0.10000E+01 volume 0.35697E-02 ppm1 0.769 ppm2 3.543 CV 1 ASSI { 2352} (( segid " A" and resid 195 and name HG1 )) (( segid " A" and resid 196 and name HD1 )) 4.100 2.200 1.900 peak 2352 spectrum 1 weight 0.10000E+01 volume 0.14673E-02 ppm1 2.367 ppm2 3.513 CV 1 OR { 2352} (( segid " A" and resid 195 and name HG2 )) (( segid " A" and resid 196 and name HD1 )) ASSI { 2353} (( segid " A" and resid 196 and name HB2 )) (( segid " A" and resid 196 and name HD1 )) 4.000 2.000 2.000 peak 2353 spectrum 1 weight 0.10000E+01 volume 0.26242E-02 ppm1 2.381 ppm2 3.504 CV 1 ASSI { 2355} (( segid " A" and resid 196 and name HG1 )) (( segid " A" and resid 196 and name HD1 )) 2.500 0.800 0.800 peak 2355 spectrum 1 weight 0.10000E+01 volume 0.52492E-02 ppm1 2.076 ppm2 3.510 CV 1 ASSI { 2356} (( segid " A" and resid 196 and name HG2 )) (( segid " A" and resid 196 and name HD1 )) 3.000 1.100 1.100 peak 2356 spectrum 1 weight 0.10000E+01 volume 0.43196E-02 ppm1 2.001 ppm2 3.513 CV 1 ASSI { 2357} ( segid " A" and resid 280 and name HD2%) (( segid " A" and resid 216 and name HA )) 2.700 0.900 0.900 peak 2357 spectrum 1 weight 0.10000E+01 volume 0.45801E-02 ppm1 0.870 ppm2 3.530 CV 1 ASSI { 2358} ( segid " A" and resid 225 and name HG2%) (( segid " A" and resid 229 and name HB1 )) 4.300 2.300 1.700 peak 2358 spectrum 1 weight 0.10000E+01 volume 0.13250E-02 ppm1 0.637 ppm2 3.529 CV 1 OR { 2358} ( segid " A" and resid 225 and name HG2%) (( segid " A" and resid 216 and name HA )) ASSI { 2359} ( segid " A" and resid 255 and name HG2%) (( segid " A" and resid 229 and name HB1 )) 3.400 1.400 1.400 peak 2359 spectrum 1 weight 0.10000E+01 volume 0.19733E-02 ppm1 0.227 ppm2 3.526 CV 1 ASSI { 2360} ( segid " A" and resid 270 and name HE% ) (( segid " A" and resid 269 and name HB2 )) 3.500 1.500 1.500 peak 2360 spectrum 1 weight 0.10000E+01 volume 0.13383E-02 ppm1 0.594 ppm2 3.504 CV 1 OR { 2360} ( segid " A" and resid 270 and name HE% ) (( segid " A" and resid 229 and name HB1 )) ASSI { 2361} ( segid " A" and resid 235 and name HD1%) (( segid " A" and resid 229 and name HB1 )) 2.400 0.700 0.700 peak 2361 spectrum 1 weight 0.10000E+01 volume 0.45068E-02 ppm1 0.701 ppm2 3.524 CV 1 ASSI { 2362} ( segid " A" and resid 255 and name HD1%) (( segid " A" and resid 229 and name HB1 )) 2.900 1.100 1.100 peak 2362 spectrum 1 weight 0.10000E+01 volume 0.37303E-02 ppm1 -0.130 ppm2 3.530 CV 1 ASSI { 2364} (( segid " A" and resid 136 and name HA1 )) (( segid " A" and resid 137 and name HD1 )) 3.700 1.700 1.700 peak 2364 spectrum 1 weight 0.10000E+01 volume 0.31960E-02 ppm1 3.947 ppm2 3.485 CV 1 ASSI { 2365} (( segid " A" and resid 270 and name HG2 )) (( segid " A" and resid 269 and name HB2 )) 3.700 1.700 1.700 peak 2365 spectrum 1 weight 0.10000E+01 volume 0.86724E-03 ppm1 1.854 ppm2 3.479 CV 1 ASSI { 2366} (( segid " A" and resid 259 and name HD2 )) (( segid " A" and resid 262 and name HB1 )) 4.200 2.200 1.800 peak 2366 spectrum 1 weight 0.10000E+01 volume 0.12567E-02 ppm1 1.768 ppm2 3.486 CV 1 OR { 2366} (( segid " A" and resid 259 and name HD1 )) (( segid " A" and resid 262 and name HB1 )) ASSI { 2367} ( segid " A" and resid 162 and name HG2%) (( segid " A" and resid 137 and name HD1 )) 3.900 1.900 1.900 peak 2367 spectrum 1 weight 0.10000E+01 volume 0.24835E-02 ppm1 0.761 ppm2 3.500 CV 1 ASSI { 2368} ( segid " A" and resid 165 and name HB% ) (( segid " A" and resid 135 and name HB1 )) 3.100 1.200 1.200 peak 2368 spectrum 1 weight 0.10000E+01 volume 0.24170E-02 ppm1 0.656 ppm2 3.482 CV 1 ASSI { 2369} ( segid " A" and resid 231 and name HB% ) (( segid " A" and resid 232 and name HB1 )) 5.000 3.100 1.000 peak 2369 spectrum 1 weight 0.10000E+01 volume 0.11277E-02 ppm1 0.797 ppm2 3.479 CV 1 ASSI { 2370} (( segid " A" and resid 168 and name HB1 )) (( segid " A" and resid 135 and name HB1 )) 3.700 1.700 1.700 peak 2370 spectrum 1 weight 0.10000E+01 volume 0.93133E-03 ppm1 1.546 ppm2 3.469 CV 1 ASSI { 2371} ( segid " A" and resid 168 and name HD2%) (( segid " A" and resid 135 and name HB1 )) 3.300 1.300 1.300 peak 2371 spectrum 1 weight 0.10000E+01 volume 0.16895E-02 ppm1 1.026 ppm2 3.451 CV 1 ASSI { 2372} ( segid " A" and resid 168 and name HD1%) (( segid " A" and resid 135 and name HB1 )) 4.300 2.300 1.700 peak 2372 spectrum 1 weight 0.10000E+01 volume 0.15106E-02 ppm1 0.910 ppm2 3.462 CV 1 ASSI { 2373} ( segid " A" and resid 266 and name HB% ) (( segid " A" and resid 269 and name HB2 )) 3.400 1.500 1.500 peak 2373 spectrum 1 weight 0.10000E+01 volume 0.49612E-02 ppm1 1.339 ppm2 3.466 CV 1 OR { 2373} ( segid " A" and resid 266 and name HB% ) (( segid " A" and resid 232 and name HB1 )) ASSI { 2374} ( segid " A" and resid 211 and name HD1%) (( segid " A" and resid 229 and name HB1 )) 4.200 2.200 1.800 peak 2374 spectrum 1 weight 0.10000E+01 volume 0.14423E-02 ppm1 0.754 ppm2 3.503 CV 1 OR { 2374} ( segid " A" and resid 211 and name HD1%) (( segid " A" and resid 262 and name HB1 )) ASSI { 2375} (( segid " A" and resid 282 and name HB )) (( segid " A" and resid 267 and name HA )) 3.700 1.700 1.700 peak 2375 spectrum 1 weight 0.10000E+01 volume 0.22297E-02 ppm1 1.804 ppm2 3.433 CV 1 ASSI { 2376} ( segid " A" and resid 282 and name HG2%) (( segid " A" and resid 267 and name HA )) 2.000 0.500 0.500 peak 2376 spectrum 1 weight 0.10000E+01 volume 0.12576E-01 ppm1 1.047 ppm2 3.434 CV 1 ASSI { 2377} ( segid " A" and resid 211 and name HG2%) (( segid " A" and resid 267 and name HA )) 4.800 2.800 1.200 peak 2377 spectrum 1 weight 0.10000E+01 volume 0.11261E-02 ppm1 0.972 ppm2 3.437 CV 1 ASSI { 2378} (( segid " A" and resid 129 and name HA )) (( segid " A" and resid 129 and name HD2 )) 4.800 2.900 1.200 peak 2378 spectrum 1 weight 0.10000E+01 volume 0.86391E-03 ppm1 3.668 ppm2 3.344 CV 1 ASSI { 2380} (( segid " A" and resid 129 and name HB1 )) (( segid " A" and resid 129 and name HD2 )) 3.800 1.800 1.800 peak 2380 spectrum 1 weight 0.10000E+01 volume 0.11510E-02 ppm1 1.893 ppm2 3.345 CV 1 ASSI { 2381} (( segid " A" and resid 129 and name HG2 )) (( segid " A" and resid 129 and name HD2 )) 2.600 0.800 0.800 peak 2381 spectrum 1 weight 0.10000E+01 volume 0.61556E-02 ppm1 1.539 ppm2 3.341 CV 1 OR { 2381} (( segid " A" and resid 129 and name HG1 )) (( segid " A" and resid 129 and name HD2 )) ASSI { 2382} ( segid " A" and resid 138 and name HD1%) (( segid " A" and resid 129 and name HD2 )) 4.400 2.500 1.600 peak 2382 spectrum 1 weight 0.10000E+01 volume 0.10104E-02 ppm1 0.763 ppm2 3.350 CV 1 OR { 2382} ( segid " A" and resid 141 and name HD1%) (( segid " A" and resid 129 and name HD2 )) ASSI { 2383} (( segid " A" and resid 167 and name HA )) (( segid " A" and resid 164 and name HA )) 4.600 2.700 1.400 peak 2383 spectrum 1 weight 0.10000E+01 volume 0.10220E-02 ppm1 3.726 ppm2 3.315 CV 1 ASSI { 2384} (( segid " A" and resid 167 and name HG1 )) (( segid " A" and resid 164 and name HA )) 4.200 2.300 1.800 peak 2384 spectrum 1 weight 0.10000E+01 volume 0.82812E-03 ppm1 2.177 ppm2 3.319 CV 1 ASSI { 2385} (( segid " A" and resid 164 and name HB1 )) (( segid " A" and resid 164 and name HA )) 3.200 1.300 1.300 peak 2385 spectrum 1 weight 0.10000E+01 volume 0.17961E-02 ppm1 0.723 ppm2 3.311 CV 1 OR { 2385} (( segid " A" and resid 164 and name HB2 )) (( segid " A" and resid 164 and name HA )) ASSI { 2386} ( segid " A" and resid 286 and name HG1%) (( segid " A" and resid 164 and name HA )) 3.500 1.500 1.500 peak 2386 spectrum 1 weight 0.10000E+01 volume 0.31627E-02 ppm1 0.793 ppm2 3.312 CV 1 ASSI { 2387} ( segid " A" and resid 286 and name HG2%) (( segid " A" and resid 164 and name HA )) 2.600 0.800 0.800 peak 2387 spectrum 1 weight 0.10000E+01 volume 0.61273E-02 ppm1 0.558 ppm2 3.312 CV 1 ASSI { 2388} (( segid " A" and resid 203 and name HA )) (( segid " A" and resid 206 and name HD1 )) 2.400 0.700 0.700 peak 2388 spectrum 1 weight 0.10000E+01 volume 0.56837E-02 ppm1 4.069 ppm2 3.274 CV 1 OR { 2388} (( segid " A" and resid 203 and name HA )) (( segid " A" and resid 206 and name HD2 )) ASSI { 2390} (( segid " A" and resid 240 and name HB1 )) (( segid " A" and resid 249 and name HB1 )) 4.000 2.000 2.000 peak 2390 spectrum 1 weight 0.10000E+01 volume 0.98043E-03 ppm1 0.793 ppm2 3.289 CV 1 ASSI { 2392} (( segid " A" and resid 203 and name HG2 )) (( segid " A" and resid 206 and name HD1 )) 3.900 1.900 1.900 peak 2392 spectrum 1 weight 0.10000E+01 volume 0.12767E-02 ppm1 2.294 ppm2 3.277 CV 1 OR { 2392} (( segid " A" and resid 203 and name HG2 )) (( segid " A" and resid 206 and name HD2 )) OR { 2392} (( segid " A" and resid 203 and name HG1 )) (( segid " A" and resid 206 and name HD1 )) ASSI { 2393} (( segid " A" and resid 206 and name HB2 )) (( segid " A" and resid 206 and name HD1 )) 2.400 0.700 0.700 peak 2393 spectrum 1 weight 0.10000E+01 volume 0.13258E-01 ppm1 1.996 ppm2 3.276 CV 1 OR { 2393} (( segid " A" and resid 206 and name HB1 )) (( segid " A" and resid 206 and name HD1 )) OR { 2393} (( segid " A" and resid 206 and name HB2 )) (( segid " A" and resid 206 and name HD2 )) OR { 2393} (( segid " A" and resid 206 and name HB1 )) (( segid " A" and resid 206 and name HD2 )) ASSI { 2394} (( segid " A" and resid 206 and name HG1 )) (( segid " A" and resid 206 and name HD2 )) 2.200 0.600 0.600 peak 2394 spectrum 1 weight 0.10000E+01 volume 0.12293E-01 ppm1 2.007 ppm2 3.279 CV 1 OR { 2394} (( segid " A" and resid 206 and name HG1 )) (( segid " A" and resid 206 and name HD1 )) ASSI { 2395} (( segid " A" and resid 206 and name HG2 )) (( segid " A" and resid 206 and name HD2 )) 2.300 0.700 0.700 peak 2395 spectrum 1 weight 0.10000E+01 volume 0.13317E-01 ppm1 1.756 ppm2 3.274 CV 1 OR { 2395} (( segid " A" and resid 206 and name HG2 )) (( segid " A" and resid 206 and name HD1 )) ASSI { 2396} ( segid " A" and resid 240 and name HD1%) (( segid " A" and resid 249 and name HB1 )) 3.400 1.500 1.500 peak 2396 spectrum 1 weight 0.10000E+01 volume 0.19808E-02 ppm1 -0.052 ppm2 3.283 CV 1 ASSI { 2397} ( segid " A" and resid 240 and name HD2%) (( segid " A" and resid 249 and name HB1 )) 4.700 2.800 1.300 peak 2397 spectrum 1 weight 0.10000E+01 volume 0.99458E-03 ppm1 0.107 ppm2 3.279 CV 1 ASSI { 2398} ( segid " A" and resid 205 and name HB% ) (( segid " A" and resid 206 and name HD1 )) 4.400 2.400 1.600 peak 2398 spectrum 1 weight 0.10000E+01 volume 0.14507E-02 ppm1 1.151 ppm2 3.279 CV 1 OR { 2398} ( segid " A" and resid 205 and name HB% ) (( segid " A" and resid 206 and name HD2 )) ASSI { 2399} ( segid " A" and resid 202 and name HB% ) (( segid " A" and resid 206 and name HD1 )) 4.300 2.300 1.700 peak 2399 spectrum 1 weight 0.10000E+01 volume 0.88056E-03 ppm1 1.570 ppm2 3.279 CV 1 OR { 2399} ( segid " A" and resid 202 and name HB% ) (( segid " A" and resid 206 and name HD2 )) ASSI { 2400} (( segid " A" and resid 136 and name HA2 )) (( segid " A" and resid 137 and name HD2 )) 3.500 1.500 1.500 peak 2400 spectrum 1 weight 0.10000E+01 volume 0.11694E-02 ppm1 4.107 ppm2 3.214 CV 1 ASSI { 2401} (( segid " A" and resid 136 and name HA1 )) (( segid " A" and resid 137 and name HD2 )) 3.200 1.300 1.300 peak 2401 spectrum 1 weight 0.10000E+01 volume 0.20757E-02 ppm1 3.944 ppm2 3.214 CV 1 ASSI { 2402} (( segid " A" and resid 137 and name HB2 )) (( segid " A" and resid 137 and name HD2 )) 3.600 1.600 1.600 peak 2402 spectrum 1 weight 0.10000E+01 volume 0.20924E-02 ppm1 2.063 ppm2 3.213 CV 1 ASSI { 2403} ( segid " A" and resid 162 and name HG1%) (( segid " A" and resid 137 and name HD2 )) 3.500 1.500 1.500 peak 2403 spectrum 1 weight 0.10000E+01 volume 0.18152E-02 ppm1 1.055 ppm2 3.211 CV 1 ASSI { 2404} ( segid " A" and resid 162 and name HG2%) (( segid " A" and resid 137 and name HD2 )) 2.700 0.900 0.900 peak 2404 spectrum 1 weight 0.10000E+01 volume 0.38535E-02 ppm1 0.763 ppm2 3.212 CV 1 ASSI { 2406} (( segid " A" and resid 129 and name HB1 )) (( segid " A" and resid 129 and name HD1 )) 2.400 0.700 0.700 peak 2406 spectrum 1 weight 0.10000E+01 volume 0.82263E-02 ppm1 1.880 ppm2 3.184 CV 1 ASSI { 2407} (( segid " A" and resid 210 and name HG2 )) (( segid " A" and resid 210 and name HD1 )) 2.600 0.800 0.800 peak 2407 spectrum 1 weight 0.10000E+01 volume 0.58043E-02 ppm1 1.716 ppm2 3.186 CV 1 OR { 2407} (( segid " A" and resid 210 and name HG2 )) (( segid " A" and resid 210 and name HD2 )) ASSI { 2408} (( segid " A" and resid 210 and name HG1 )) (( segid " A" and resid 210 and name HD2 )) 2.600 0.900 0.900 peak 2408 spectrum 1 weight 0.10000E+01 volume 0.53424E-02 ppm1 1.480 ppm2 3.183 CV 1 OR { 2408} (( segid " A" and resid 210 and name HG1 )) (( segid " A" and resid 210 and name HD1 )) ASSI { 2409} ( segid " A" and resid 214 and name HB% ) (( segid " A" and resid 281 and name HD1 )) 4.100 2.100 1.900 peak 2409 spectrum 1 weight 0.10000E+01 volume 0.15106E-02 ppm1 1.268 ppm2 3.188 CV 1 OR { 2409} ( segid " A" and resid 214 and name HB% ) (( segid " A" and resid 137 and name HD2 )) ASSI { 2411} (( segid " A" and resid 129 and name HA )) (( segid " A" and resid 129 and name HD1 )) 4.900 2.900 1.100 peak 2411 spectrum 1 weight 0.10000E+01 volume 0.79400E-03 ppm1 3.664 ppm2 3.170 CV 1 ASSI { 2412} (( segid " A" and resid 272 and name HA )) (( segid " A" and resid 281 and name HD1 )) 4.100 2.100 1.900 peak 2412 spectrum 1 weight 0.10000E+01 volume 0.80232E-03 ppm1 3.910 ppm2 3.158 CV 1 OR { 2412} (( segid " A" and resid 272 and name HA )) (( segid " A" and resid 273 and name HB1 )) ASSI { 2413} (( segid " A" and resid 270 and name HA )) (( segid " A" and resid 273 and name HB1 )) 3.600 1.700 1.700 peak 2413 spectrum 1 weight 0.10000E+01 volume 0.14798E-02 ppm1 4.883 ppm2 3.156 CV 1 ASSI { 2414} (( segid " A" and resid 129 and name HD2 )) (( segid " A" and resid 129 and name HD1 )) 1.800 0.400 0.400 peak 2414 spectrum 1 weight 0.10000E+01 volume 0.17087E-01 ppm1 3.344 ppm2 3.160 CV 1 ASSI { 2415} (( segid " A" and resid 270 and name HG1 )) (( segid " A" and resid 273 and name HB1 )) 4.700 2.700 1.300 peak 2415 spectrum 1 weight 0.10000E+01 volume 0.12235E-02 ppm1 1.628 ppm2 3.152 CV 1 OR { 2415} (( segid " A" and resid 242 and name HB1 )) (( segid " A" and resid 243 and name HB1 )) ASSI { 2416} (( segid " A" and resid 129 and name HG2 )) (( segid " A" and resid 129 and name HD1 )) 2.600 0.900 0.900 peak 2416 spectrum 1 weight 0.10000E+01 volume 0.60232E-02 ppm1 1.537 ppm2 3.163 CV 1 OR { 2416} (( segid " A" and resid 129 and name HG1 )) (( segid " A" and resid 129 and name HD1 )) ASSI { 2417} ( segid " A" and resid 280 and name HD1%) (( segid " A" and resid 273 and name HB1 )) 2.900 1.000 1.000 peak 2417 spectrum 1 weight 0.10000E+01 volume 0.23429E-02 ppm1 1.073 ppm2 3.152 CV 1 ASSI { 2418} ( segid " A" and resid 282 and name HG1%) (( segid " A" and resid 281 and name HD1 )) 3.600 1.600 1.600 peak 2418 spectrum 1 weight 0.10000E+01 volume 0.11178E-02 ppm1 1.003 ppm2 3.159 CV 1 OR { 2418} ( segid " A" and resid 267 and name HG2%) (( segid " A" and resid 210 and name HD1 )) OR { 2418} ( segid " A" and resid 267 and name HG2%) (( segid " A" and resid 210 and name HD2 )) OR { 2418} ( segid " A" and resid 267 and name HG2%) (( segid " A" and resid 273 and name HB1 )) OR { 2418} ( segid " A" and resid 282 and name HG1%) (( segid " A" and resid 273 and name HB1 )) ASSI { 2419} ( segid " A" and resid 272 and name HD2%) (( segid " A" and resid 281 and name HD1 )) 2.500 0.800 0.800 peak 2419 spectrum 1 weight 0.10000E+01 volume 0.52825E-02 ppm1 0.711 ppm2 3.168 CV 1 ASSI { 2420} ( segid " A" and resid 270 and name HE% ) (( segid " A" and resid 273 and name HB1 )) 2.800 1.000 1.000 peak 2420 spectrum 1 weight 0.10000E+01 volume 0.36878E-02 ppm1 0.599 ppm2 3.157 CV 1 ASSI { 2421} (( segid " A" and resid 138 and name HA )) (( segid " A" and resid 160 and name HB1 )) 4.600 2.700 1.400 peak 2421 spectrum 1 weight 0.10000E+01 volume 0.77236E-03 ppm1 3.765 ppm2 3.141 CV 1 ASSI { 2422} ( segid " A" and resid 165 and name HB% ) (( segid " A" and resid 160 and name HB1 )) 2.800 1.000 1.000 peak 2422 spectrum 1 weight 0.10000E+01 volume 0.35980E-02 ppm1 0.656 ppm2 3.140 CV 1 ASSI { 2423} ( segid " A" and resid 166 and name HB% ) (( segid " A" and resid 160 and name HB1 )) 2.700 2.700 3.300 peak 2423 spectrum 1 weight 0.10000E+01 volume 0.29047E-02 ppm1 1.467 ppm2 3.147 CV 1 ASSI { 2424} ( segid " A" and resid 138 and name HG2%) (( segid " A" and resid 129 and name HD1 )) 4.800 2.900 1.200 peak 2424 spectrum 1 weight 0.10000E+01 volume 0.82146E-03 ppm1 0.543 ppm2 3.143 CV 1 ASSI { 2425} (( segid " A" and resid 163 and name HA )) (( segid " A" and resid 112 and name HB2 )) 5.200 3.400 0.800 peak 2425 spectrum 1 weight 0.10000E+01 volume 0.90303E-03 ppm1 4.148 ppm2 3.100 CV 1 ASSI { 2426} (( segid " A" and resid 278 and name HB2 )) (( segid " A" and resid 217 and name HB2 )) 3.100 1.200 1.200 peak 2426 spectrum 1 weight 0.10000E+01 volume 0.13267E-02 ppm1 2.129 ppm2 3.107 CV 1 ASSI { 2427} (( segid " A" and resid 161 and name HB1 )) (( segid " A" and resid 160 and name HB1 )) 4.500 2.600 1.500 peak 2427 spectrum 1 weight 0.10000E+01 volume 0.15930E-02 ppm1 1.991 ppm2 3.105 CV 1 OR { 2427} (( segid " A" and resid 278 and name HB1 )) (( segid " A" and resid 217 and name HB2 )) ASSI { 2428} (( segid " A" and resid 159 and name HB1 )) (( segid " A" and resid 113 and name HD2 )) 4.700 2.700 1.300 peak 2428 spectrum 1 weight 0.10000E+01 volume 0.11510E-02 ppm1 1.693 ppm2 3.099 CV 1 OR { 2428} (( segid " A" and resid 163 and name HB1 )) (( segid " A" and resid 112 and name HB2 )) OR { 2428} (( segid " A" and resid 159 and name HB1 )) (( segid " A" and resid 112 and name HB2 )) ASSI { 2429} (( segid " A" and resid 220 and name HG )) (( segid " A" and resid 217 and name HB2 )) 4.600 2.600 1.400 peak 2429 spectrum 1 weight 0.10000E+01 volume 0.17445E-02 ppm1 1.666 ppm2 3.097 CV 1 ASSI { 2431} (( segid " A" and resid 110 and name HA )) (( segid " A" and resid 113 and name HD2 )) 3.300 1.400 1.400 peak 2431 spectrum 1 weight 0.10000E+01 volume 0.18934E-02 ppm1 3.678 ppm2 3.077 CV 1 OR { 2431} (( segid " A" and resid 110 and name HA )) (( segid " A" and resid 112 and name HB2 )) ASSI { 2432} (( segid " A" and resid 216 and name HA )) (( segid " A" and resid 217 and name HB2 )) 5.000 3.100 1.000 peak 2432 spectrum 1 weight 0.10000E+01 volume 0.11843E-02 ppm1 3.532 ppm2 3.082 CV 1 ASSI { 2434} (( segid " A" and resid 109 and name HA )) (( segid " A" and resid 112 and name HB2 )) 2.900 1.100 1.100 peak 2434 spectrum 1 weight 0.10000E+01 volume 0.34273E-02 ppm1 4.111 ppm2 3.084 CV 1 ASSI { 2436} (( segid " A" and resid 159 and name HG1 )) (( segid " A" and resid 112 and name HB2 )) 3.400 1.500 1.500 peak 2436 spectrum 1 weight 0.10000E+01 volume 0.20299E-02 ppm1 2.029 ppm2 3.077 CV 1 OR { 2436} (( segid " A" and resid 159 and name HG2 )) (( segid " A" and resid 112 and name HB2 )) ASSI { 2437} (( segid " A" and resid 113 and name HB2 )) (( segid " A" and resid 113 and name HD2 )) 3.100 1.200 1.200 peak 2437 spectrum 1 weight 0.10000E+01 volume 0.24203E-02 ppm1 1.740 ppm2 3.076 CV 1 ASSI { 2438} (( segid " A" and resid 134 and name HB2 )) (( segid " A" and resid 134 and name HD2 )) 3.400 1.400 1.400 peak 2438 spectrum 1 weight 0.10000E+01 volume 0.16995E-02 ppm1 2.025 ppm2 3.084 CV 1 ASSI { 2439} (( segid " A" and resid 134 and name HB1 )) (( segid " A" and resid 134 and name HD2 )) 4.400 2.500 1.600 peak 2439 spectrum 1 weight 0.10000E+01 volume 0.14981E-02 ppm1 0.262 ppm2 3.084 CV 1 ASSI { 2440} (( segid " A" and resid 113 and name HG1 )) (( segid " A" and resid 113 and name HD2 )) 2.600 0.900 0.900 peak 2440 spectrum 1 weight 0.10000E+01 volume 0.40848E-02 ppm1 1.390 ppm2 3.074 CV 1 ASSI { 2441} ( segid " A" and resid 220 and name HD2%) (( segid " A" and resid 217 and name HB2 )) 3.300 1.300 1.300 peak 2441 spectrum 1 weight 0.10000E+01 volume 0.42122E-02 ppm1 0.930 ppm2 3.087 CV 1 ASSI { 2442} ( segid " A" and resid 109 and name HB% ) (( segid " A" and resid 112 and name HB2 )) 3.500 1.600 1.600 peak 2442 spectrum 1 weight 0.10000E+01 volume 0.20399E-02 ppm1 1.445 ppm2 3.083 CV 1 OR { 2442} ( segid " A" and resid 109 and name HB% ) (( segid " A" and resid 113 and name HD2 )) ASSI { 2444} (( segid " A" and resid 259 and name HB1 )) (( segid " A" and resid 259 and name HE2 )) 4.200 2.200 1.800 peak 2444 spectrum 1 weight 0.10000E+01 volume 0.92966E-03 ppm1 2.029 ppm2 3.046 CV 1 OR { 2444} (( segid " A" and resid 259 and name HB1 )) (( segid " A" and resid 259 and name HE1 )) ASSI { 2445} ( segid " A" and resid 240 and name HD2%) (( segid " A" and resid 252 and name HB2 )) 5.000 3.100 1.000 peak 2445 spectrum 1 weight 0.10000E+01 volume 0.72658E-03 ppm1 0.108 ppm2 3.039 CV 1 ASSI { 2446} (( segid " A" and resid 214 and name HA )) (( segid " A" and resid 252 and name HB2 )) 3.300 1.400 1.400 peak 2446 spectrum 1 weight 0.10000E+01 volume 0.20624E-02 ppm1 5.094 ppm2 3.016 CV 1 ASSI { 2447} (( segid " A" and resid 242 and name HB2 )) (( segid " A" and resid 242 and name HD2 )) 3.300 1.400 1.400 peak 2447 spectrum 1 weight 0.10000E+01 volume 0.26575E-02 ppm1 1.371 ppm2 3.030 CV 1 ASSI { 2448} (( segid " A" and resid 181 and name HG1 )) (( segid " A" and resid 181 and name HD2 )) 2.500 0.800 0.800 peak 2448 spectrum 1 weight 0.10000E+01 volume 0.97377E-02 ppm1 1.539 ppm2 3.005 CV 1 OR { 2448} (( segid " A" and resid 181 and name HG2 )) (( segid " A" and resid 181 and name HD2 )) OR { 2448} (( segid " A" and resid 181 and name HG1 )) (( segid " A" and resid 181 and name HD1 )) OR { 2448} (( segid " A" and resid 181 and name HG2 )) (( segid " A" and resid 181 and name HD1 )) ASSI { 2449} ( segid " A" and resid 214 and name HB% ) (( segid " A" and resid 252 and name HB2 )) 3.500 1.600 1.600 peak 2449 spectrum 1 weight 0.10000E+01 volume 0.33000E-02 ppm1 1.268 ppm2 3.021 CV 1 ASSI { 2450} ( segid " A" and resid 216 and name HG1%) (( segid " A" and resid 224 and name HB1 )) 4.100 2.100 1.900 peak 2450 spectrum 1 weight 0.10000E+01 volume 0.13966E-02 ppm1 0.667 ppm2 3.012 CV 1 OR { 2450} ( segid " A" and resid 216 and name HG1%) (( segid " A" and resid 252 and name HB2 )) OR { 2450} ( segid " A" and resid 228 and name HG2%) (( segid " A" and resid 224 and name HB1 )) ASSI { 2451} ( segid " A" and resid 213 and name HG2%) (( segid " A" and resid 252 and name HB2 )) 4.500 2.500 1.500 peak 2451 spectrum 1 weight 0.10000E+01 volume 0.10329E-02 ppm1 0.443 ppm2 3.025 CV 1 ASSI { 2452} ( segid " A" and resid 216 and name HG2%) (( segid " A" and resid 252 and name HB2 )) 4.400 2.400 1.600 peak 2452 spectrum 1 weight 0.10000E+01 volume 0.17370E-02 ppm1 0.383 ppm2 3.021 CV 1 ASSI { 2453} (( segid " A" and resid 221 and name HB1 )) (( segid " A" and resid 224 and name HB1 )) 4.700 2.800 1.300 peak 2453 spectrum 1 weight 0.10000E+01 volume 0.99708E-03 ppm1 3.995 ppm2 2.984 CV 1 ASSI { 2454} (( segid " A" and resid 267 and name HA )) (( segid " A" and resid 271 and name HB2 )) 4.400 2.400 1.600 peak 2454 spectrum 1 weight 0.10000E+01 volume 0.76570E-03 ppm1 3.440 ppm2 2.986 CV 1 ASSI { 2455} (( segid " A" and resid 264 and name HA )) (( segid " A" and resid 284 and name HE1 )) 4.200 2.200 1.800 peak 2455 spectrum 1 weight 0.10000E+01 volume 0.12584E-02 ppm1 3.937 ppm2 2.995 CV 1 OR { 2455} (( segid " A" and resid 264 and name HA )) (( segid " A" and resid 284 and name HE2 )) ASSI { 2456} (( segid " A" and resid 139 and name HA )) (( segid " A" and resid 139 and name HE2 )) 4.600 2.700 1.400 peak 2456 spectrum 1 weight 0.10000E+01 volume 0.13783E-02 ppm1 4.315 ppm2 2.975 CV 1 OR { 2456} (( segid " A" and resid 139 and name HA )) (( segid " A" and resid 139 and name HE1 )) OR { 2456} (( segid " A" and resid 236 and name HA )) (( segid " A" and resid 236 and name HE2 )) OR { 2456} (( segid " A" and resid 236 and name HA )) (( segid " A" and resid 236 and name HE1 )) ASSI { 2457} (( segid " A" and resid 270 and name HA )) (( segid " A" and resid 273 and name HB2 )) 3.100 1.200 1.200 peak 2457 spectrum 1 weight 0.10000E+01 volume 0.11477E-02 ppm1 4.884 ppm2 2.998 CV 1 ASSI { 2458} (( segid " A" and resid 258 and name HG2 )) (( segid " A" and resid 236 and name HE1 )) 3.400 1.400 1.400 peak 2458 spectrum 1 weight 0.10000E+01 volume 0.23562E-02 ppm1 2.145 ppm2 2.983 CV 1 OR { 2458} (( segid " A" and resid 256 and name HG2 )) (( segid " A" and resid 236 and name HE2 )) OR { 2458} (( segid " A" and resid 256 and name HG2 )) (( segid " A" and resid 236 and name HE1 )) ASSI { 2459} (( segid " A" and resid 264 and name HG2 )) (( segid " A" and resid 284 and name HE1 )) 3.300 1.400 1.400 peak 2459 spectrum 1 weight 0.10000E+01 volume 0.18602E-02 ppm1 2.368 ppm2 2.990 CV 1 OR { 2459} (( segid " A" and resid 264 and name HG2 )) (( segid " A" and resid 284 and name HE2 )) OR { 2459} (( segid " A" and resid 264 and name HG1 )) (( segid " A" and resid 284 and name HE1 )) ASSI { 2460} (( segid " A" and resid 256 and name HB2 )) (( segid " A" and resid 236 and name HE2 )) 3.200 3.200 2.800 peak 2460 spectrum 1 weight 0.10000E+01 volume 0.48947E-02 ppm1 1.782 ppm2 2.995 CV 1 OR { 2460} (( segid " A" and resid 256 and name HB2 )) (( segid " A" and resid 236 and name HE1 )) OR { 2460} (( segid " A" and resid 256 and name HB2 )) (( segid " A" and resid 208 and name HB1 )) ASSI { 2461} ( segid " A" and resid 170 and name HD2%) (( segid " A" and resid 174 and name HB2 )) 3.800 1.800 1.800 peak 2461 spectrum 1 weight 0.10000E+01 volume 0.18577E-02 ppm1 0.802 ppm2 2.974 CV 1 OR { 2461} ( segid " A" and resid 272 and name HD1%) (( segid " A" and resid 271 and name HB2 )) OR { 2461} ( segid " A" and resid 170 and name HD1%) (( segid " A" and resid 174 and name HB2 )) ASSI { 2462} ( segid " A" and resid 282 and name HG1%) (( segid " A" and resid 271 and name HB2 )) 2.600 0.900 0.900 peak 2462 spectrum 1 weight 0.10000E+01 volume 0.43861E-02 ppm1 1.007 ppm2 2.978 CV 1 ASSI { 2463} ( segid " A" and resid 220 and name HD1%) (( segid " A" and resid 224 and name HB1 )) 2.800 1.000 1.000 peak 2463 spectrum 1 weight 0.10000E+01 volume 0.64868E-02 ppm1 0.800 ppm2 2.982 CV 1 ASSI { 2464} ( segid " A" and resid 267 and name HG1%) (( segid " A" and resid 271 and name HB2 )) 3.600 1.700 1.700 peak 2464 spectrum 1 weight 0.10000E+01 volume 0.22963E-02 ppm1 0.965 ppm2 2.981 CV 1 OR { 2464} ( segid " A" and resid 267 and name HG1%) (( segid " A" and resid 284 and name HE1 )) ASSI { 2465} ( segid " A" and resid 272 and name HD2%) (( segid " A" and resid 271 and name HB2 )) 4.600 2.600 1.400 peak 2465 spectrum 1 weight 0.10000E+01 volume 0.16304E-02 ppm1 0.712 ppm2 2.990 CV 1 OR { 2465} ( segid " A" and resid 272 and name HD2%) (( segid " A" and resid 273 and name HB2 )) ASSI { 2467} ( segid " A" and resid 205 and name HB% ) (( segid " A" and resid 284 and name HE2 )) 3.600 1.600 1.600 peak 2467 spectrum 1 weight 0.10000E+01 volume 0.14357E-02 ppm1 1.151 ppm2 2.974 CV 1 OR { 2467} ( segid " A" and resid 205 and name HB% ) (( segid " A" and resid 284 and name HE1 )) ASSI { 2468} ( segid " A" and resid 270 and name HE% ) (( segid " A" and resid 273 and name HB2 )) 3.300 1.300 1.300 peak 2468 spectrum 1 weight 0.10000E+01 volume 0.40657E-02 ppm1 0.598 ppm2 3.000 CV 1 ASSI { 2469} (( segid " A" and resid 140 and name HB1 )) (( segid " A" and resid 139 and name HE1 )) 4.400 2.500 1.600 peak 2469 spectrum 1 weight 0.10000E+01 volume 0.98293E-03 ppm1 3.749 ppm2 2.957 CV 1 OR { 2469} (( segid " A" and resid 140 and name HB1 )) (( segid " A" and resid 139 and name HE2 )) OR { 2469} (( segid " A" and resid 269 and name HB1 )) (( segid " A" and resid 271 and name HB2 )) ASSI { 2470} (( segid " A" and resid 258 and name HA )) (( segid " A" and resid 236 and name HE1 )) 3.600 1.600 1.600 peak 2470 spectrum 1 weight 0.10000E+01 volume 0.24403E-02 ppm1 4.117 ppm2 2.974 CV 1 OR { 2470} (( segid " A" and resid 258 and name HA )) (( segid " A" and resid 236 and name HE2 )) ASSI { 2471} (( segid " A" and resid 161 and name HA )) (( segid " A" and resid 139 and name HE2 )) 3.800 1.800 1.800 peak 2471 spectrum 1 weight 0.10000E+01 volume 0.10928E-02 ppm1 4.211 ppm2 2.955 CV 1 OR { 2471} (( segid " A" and resid 161 and name HA )) (( segid " A" and resid 139 and name HE1 )) ASSI { 2474} (( segid " A" and resid 161 and name HG2 )) (( segid " A" and resid 139 and name HE2 )) 3.500 1.600 1.600 peak 2474 spectrum 1 weight 0.10000E+01 volume 0.24028E-02 ppm1 2.254 ppm2 2.961 CV 1 OR { 2474} (( segid " A" and resid 161 and name HG2 )) (( segid " A" and resid 139 and name HE1 )) OR { 2474} (( segid " A" and resid 161 and name HG1 )) (( segid " A" and resid 139 and name HE2 )) OR { 2474} (( segid " A" and resid 161 and name HG1 )) (( segid " A" and resid 139 and name HE1 )) ASSI { 2475} (( segid " A" and resid 282 and name HB )) (( segid " A" and resid 271 and name HB2 )) 3.700 1.700 1.700 peak 2475 spectrum 1 weight 0.10000E+01 volume 0.29355E-02 ppm1 1.804 ppm2 2.965 CV 1 ASSI { 2476} (( segid " A" and resid 236 and name HB1 )) (( segid " A" and resid 236 and name HE2 )) 3.300 1.400 1.400 peak 2476 spectrum 1 weight 0.10000E+01 volume 0.38768E-02 ppm1 1.714 ppm2 2.968 CV 1 OR { 2476} (( segid " A" and resid 236 and name HB1 )) (( segid " A" and resid 236 and name HE1 )) ASSI { 2477} (( segid " A" and resid 139 and name HB2 )) (( segid " A" and resid 139 and name HE2 )) 3.400 1.500 1.500 peak 2477 spectrum 1 weight 0.10000E+01 volume 0.15197E-02 ppm1 1.527 ppm2 2.952 CV 1 OR { 2477} (( segid " A" and resid 139 and name HB2 )) (( segid " A" and resid 139 and name HE1 )) ASSI { 2479} (( segid " A" and resid 236 and name HB2 )) (( segid " A" and resid 236 and name HE2 )) 3.500 1.600 1.600 peak 2479 spectrum 1 weight 0.10000E+01 volume 0.32051E-02 ppm1 1.470 ppm2 2.974 CV 1 OR { 2479} (( segid " A" and resid 236 and name HB2 )) (( segid " A" and resid 236 and name HE1 )) ASSI { 2480} (( segid " A" and resid 256 and name HB1 )) (( segid " A" and resid 236 and name HE2 )) 3.800 1.800 1.800 peak 2480 spectrum 1 weight 0.10000E+01 volume 0.13833E-02 ppm1 2.171 ppm2 2.969 CV 1 OR { 2480} (( segid " A" and resid 256 and name HB1 )) (( segid " A" and resid 236 and name HE1 )) ASSI { 2481} (( segid " A" and resid 139 and name HG1 )) (( segid " A" and resid 139 and name HE2 )) 3.200 1.300 1.300 peak 2481 spectrum 1 weight 0.10000E+01 volume 0.47873E-02 ppm1 1.294 ppm2 2.946 CV 1 OR { 2481} (( segid " A" and resid 139 and name HG1 )) (( segid " A" and resid 139 and name HE1 )) ASSI { 2482} ( segid " A" and resid 282 and name HG2%) (( segid " A" and resid 271 and name HB2 )) 3.200 1.300 1.300 peak 2482 spectrum 1 weight 0.10000E+01 volume 0.17470E-02 ppm1 1.047 ppm2 2.970 CV 1 OR { 2482} ( segid " A" and resid 282 and name HG2%) (( segid " A" and resid 284 and name HE1 )) OR { 2482} ( segid " A" and resid 282 and name HG2%) (( segid " A" and resid 284 and name HE2 )) ASSI { 2483} ( segid " A" and resid 285 and name HB% ) (( segid " A" and resid 208 and name HB2 )) 3.100 3.100 2.900 peak 2483 spectrum 1 weight 0.10000E+01 volume 0.27274E-02 ppm1 1.525 ppm2 2.952 CV 1 ASSI { 2484} (( segid " A" and resid 246 and name HB )) (( segid " A" and resid 248 and name HE2 )) 4.300 2.400 1.700 peak 2484 spectrum 1 weight 0.10000E+01 volume 0.75488E-03 ppm1 4.287 ppm2 2.935 CV 1 OR { 2484} (( segid " A" and resid 246 and name HB )) (( segid " A" and resid 248 and name HE1 )) ASSI { 2485} (( segid " A" and resid 205 and name HA )) (( segid " A" and resid 208 and name HB2 )) 3.400 1.500 1.500 peak 2485 spectrum 1 weight 0.10000E+01 volume 0.12434E-02 ppm1 3.867 ppm2 2.940 CV 1 ASSI { 2487} ( segid " A" and resid 246 and name HG2%) (( segid " A" and resid 248 and name HE2 )) 4.200 2.200 1.800 peak 2487 spectrum 1 weight 0.10000E+01 volume 0.13383E-02 ppm1 1.197 ppm2 2.940 CV 1 OR { 2487} ( segid " A" and resid 246 and name HG2%) (( segid " A" and resid 248 and name HE1 )) ASSI { 2488} (( segid " A" and resid 110 and name HA )) (( segid " A" and resid 113 and name HD1 )) 3.900 1.900 1.900 peak 2488 spectrum 1 weight 0.10000E+01 volume 0.13333E-02 ppm1 3.680 ppm2 2.906 CV 1 ASSI { 2489} (( segid " A" and resid 113 and name HG1 )) (( segid " A" and resid 113 and name HD1 )) 2.900 1.100 1.100 peak 2489 spectrum 1 weight 0.10000E+01 volume 0.41389E-02 ppm1 1.388 ppm2 2.908 CV 1 ASSI { 2490} (( segid " A" and resid 235 and name HB )) (( segid " A" and resid 226 and name HE2 )) 3.100 1.200 1.200 peak 2490 spectrum 1 weight 0.10000E+01 volume 0.22863E-02 ppm1 1.642 ppm2 2.867 CV 1 OR { 2490} (( segid " A" and resid 235 and name HB )) (( segid " A" and resid 226 and name HE1 )) ASSI { 2491} (( segid " A" and resid 272 and name HG )) (( segid " A" and resid 271 and name HB1 )) 3.800 1.800 1.800 peak 2491 spectrum 1 weight 0.10000E+01 volume 0.13433E-02 ppm1 1.506 ppm2 2.870 CV 1 ASSI { 2492} (( segid " A" and resid 216 and name HA )) (( segid " A" and resid 217 and name HB1 )) 5.400 3.600 0.600 peak 2492 spectrum 1 weight 0.10000E+01 volume 0.80898E-03 ppm1 3.527 ppm2 2.830 CV 1 ASSI { 2493} (( segid " A" and resid 282 and name HB )) (( segid " A" and resid 271 and name HB1 )) 4.800 2.900 1.200 peak 2493 spectrum 1 weight 0.10000E+01 volume 0.20374E-02 ppm1 1.804 ppm2 2.854 CV 1 ASSI { 2494} (( segid " A" and resid 255 and name HG12)) (( segid " A" and resid 229 and name HB2 )) 4.400 2.400 1.600 peak 2494 spectrum 1 weight 0.10000E+01 volume 0.10029E-02 ppm1 0.582 ppm2 2.834 CV 1 ASSI { 2495} (( segid " A" and resid 220 and name HG )) (( segid " A" and resid 217 and name HB1 )) 3.300 1.400 1.400 peak 2495 spectrum 1 weight 0.10000E+01 volume 0.29405E-02 ppm1 1.667 ppm2 2.842 CV 1 ASSI { 2496} ( segid " A" and resid 220 and name HD2%) (( segid " A" and resid 217 and name HB1 )) 2.700 0.900 0.900 peak 2496 spectrum 1 weight 0.10000E+01 volume 0.59001E-02 ppm1 0.931 ppm2 2.840 CV 1 ASSI { 2497} ( segid " A" and resid 272 and name HD1%) (( segid " A" and resid 271 and name HB1 )) 4.200 2.200 1.800 peak 2497 spectrum 1 weight 0.10000E+01 volume 0.13483E-02 ppm1 0.803 ppm2 2.846 CV 1 ASSI { 2498} ( segid " A" and resid 282 and name HG2%) (( segid " A" and resid 271 and name HB1 )) 3.100 3.100 2.900 peak 2498 spectrum 1 weight 0.10000E+01 volume 0.10478E-02 ppm1 1.045 ppm2 2.852 CV 1 OR { 2498} ( segid " A" and resid 282 and name HG2%) (( segid " A" and resid 229 and name HB2 )) ASSI { 2499} ( segid " A" and resid 220 and name HD1%) (( segid " A" and resid 217 and name HB1 )) 2.800 1.000 1.000 peak 2499 spectrum 1 weight 0.10000E+01 volume 0.37020E-02 ppm1 0.800 ppm2 2.847 CV 1 ASSI { 2500} ( segid " A" and resid 228 and name HG1%) (( segid " A" and resid 229 and name HB2 )) 4.800 2.900 1.200 peak 2500 spectrum 1 weight 0.10000E+01 volume 0.97044E-03 ppm1 1.052 ppm2 2.839 CV 1 ASSI { 2501} ( segid " A" and resid 216 and name HG1%) (( segid " A" and resid 217 and name HB1 )) 4.100 2.100 1.900 peak 2501 spectrum 1 weight 0.10000E+01 volume 0.19334E-02 ppm1 0.672 ppm2 2.832 CV 1 OR { 2501} ( segid " A" and resid 228 and name HG2%) (( segid " A" and resid 229 and name HB2 )) ASSI { 2502} ( segid " A" and resid 158 and name HG1%) (( segid " A" and resid 132 and name HB1 )) 2.800 1.000 1.000 peak 2502 spectrum 1 weight 0.10000E+01 volume 0.22663E-02 ppm1 0.133 ppm2 2.841 CV 1 ASSI { 2503} ( segid " A" and resid 158 and name HG2%) (( segid " A" and resid 132 and name HB1 )) 3.700 1.700 1.700 peak 2503 spectrum 1 weight 0.10000E+01 volume 0.17328E-02 ppm1 0.033 ppm2 2.848 CV 1 ASSI { 2504} ( segid " A" and resid 131 and name HB% ) (( segid " A" and resid 132 and name HB1 )) 4.800 2.900 1.200 peak 2504 spectrum 1 weight 0.10000E+01 volume 0.15622E-02 ppm1 1.453 ppm2 2.849 CV 1 ASSI { 2505} ( segid " A" and resid 225 and name HG2%) (( segid " A" and resid 229 and name HB2 )) 3.200 1.300 1.300 peak 2505 spectrum 1 weight 0.10000E+01 volume 0.23129E-02 ppm1 0.636 ppm2 2.832 CV 1 OR { 2505} ( segid " A" and resid 225 and name HG2%) (( segid " A" and resid 238 and name HB2 )) ASSI { 2506} ( segid " A" and resid 235 and name HG2%) (( segid " A" and resid 226 and name HE1 )) 2.700 0.900 0.900 peak 2506 spectrum 1 weight 0.10000E+01 volume 0.71293E-02 ppm1 0.579 ppm2 2.856 CV 1 OR { 2506} ( segid " A" and resid 235 and name HG2%) (( segid " A" and resid 226 and name HE2 )) OR { 2506} ( segid " A" and resid 235 and name HG2%) (( segid " A" and resid 229 and name HB2 )) ASSI { 2507} ( segid " A" and resid 255 and name HG2%) (( segid " A" and resid 229 and name HB2 )) 3.300 1.400 1.400 peak 2507 spectrum 1 weight 0.10000E+01 volume 0.35364E-02 ppm1 0.228 ppm2 2.828 CV 1 ASSI { 2508} ( segid " A" and resid 133 and name HB% ) (( segid " A" and resid 132 and name HB1 )) 5.100 3.300 0.900 peak 2508 spectrum 1 weight 0.10000E+01 volume 0.91884E-03 ppm1 1.618 ppm2 2.829 CV 1 ASSI { 2509} ( segid " A" and resid 235 and name HD1%) (( segid " A" and resid 229 and name HB2 )) 2.100 0.600 0.600 peak 2509 spectrum 1 weight 0.10000E+01 volume 0.63545E-02 ppm1 0.700 ppm2 2.841 CV 1 ASSI { 2510} ( segid " A" and resid 138 and name HD1%) (( segid " A" and resid 132 and name HB1 )) 2.800 1.000 1.000 peak 2510 spectrum 1 weight 0.10000E+01 volume 0.31202E-02 ppm1 0.771 ppm2 2.847 CV 1 ASSI { 2511} ( segid " A" and resid 255 and name HD1%) (( segid " A" and resid 229 and name HB2 )) 2.600 0.800 0.800 peak 2511 spectrum 1 weight 0.10000E+01 volume 0.43262E-02 ppm1 -0.129 ppm2 2.828 CV 1 ASSI { 2512} ( segid " A" and resid 225 and name HD1%) (( segid " A" and resid 217 and name HB1 )) 5.000 3.200 1.000 peak 2512 spectrum 1 weight 0.10000E+01 volume 0.71077E-03 ppm1 0.631 ppm2 2.836 CV 1 OR { 2512} ( segid " A" and resid 225 and name HD1%) (( segid " A" and resid 229 and name HB2 )) ASSI { 2513} (( segid " A" and resid 142 and name HB2 )) (( segid " A" and resid 142 and name HB1 )) 1.800 0.400 0.400 peak 2513 spectrum 1 weight 0.10000E+01 volume 0.24777E-01 ppm1 2.620 ppm2 2.823 CV 1 ASSI { 2514} (( segid " A" and resid 138 and name HA )) (( segid " A" and resid 160 and name HB2 )) 4.400 2.400 1.600 peak 2514 spectrum 1 weight 0.10000E+01 volume 0.14490E-02 ppm1 3.755 ppm2 2.774 CV 1 ASSI { 2516} ( segid " A" and resid 168 and name HD1%) (( segid " A" and resid 172 and name HG2 )) 4.300 2.300 1.700 peak 2516 spectrum 1 weight 0.10000E+01 volume 0.18527E-02 ppm1 0.908 ppm2 2.772 CV 1 ASSI { 2517} ( segid " A" and resid 216 and name HG2%) (( segid " A" and resid 252 and name HB1 )) 4.400 2.400 1.600 peak 2517 spectrum 1 weight 0.10000E+01 volume 0.15480E-02 ppm1 0.381 ppm2 2.771 CV 1 ASSI { 2518} (( segid " A" and resid 149 and name HB )) (( segid " A" and resid 151 and name HE2 )) 3.500 1.500 1.500 peak 2518 spectrum 1 weight 0.10000E+01 volume 0.16404E-02 ppm1 4.130 ppm2 2.749 CV 1 OR { 2518} (( segid " A" and resid 149 and name HB )) (( segid " A" and resid 151 and name HE1 )) ASSI { 2519} (( segid " A" and resid 263 and name HB1 )) (( segid " A" and resid 257 and name HB1 )) 4.600 2.600 1.400 peak 2519 spectrum 1 weight 0.10000E+01 volume 0.10678E-02 ppm1 3.845 ppm2 2.751 CV 1 OR { 2519} (( segid " A" and resid 263 and name HB1 )) (( segid " A" and resid 262 and name HB2 )) ASSI { 2520} (( segid " A" and resid 159 and name HA )) (( segid " A" and resid 160 and name HB2 )) 4.900 2.900 1.100 peak 2520 spectrum 1 weight 0.10000E+01 volume 0.99042E-03 ppm1 5.024 ppm2 2.752 CV 1 OR { 2520} (( segid " A" and resid 256 and name HA )) (( segid " A" and resid 257 and name HB1 )) ASSI { 2522} (( segid " A" and resid 166 and name HA )) (( segid " A" and resid 160 and name HB2 )) 4.400 2.400 1.600 peak 2522 spectrum 1 weight 0.10000E+01 volume 0.85059E-03 ppm1 3.658 ppm2 2.752 CV 1 OR { 2522} (( segid " A" and resid 165 and name HA )) (( segid " A" and resid 160 and name HB2 )) OR { 2522} (( segid " A" and resid 165 and name HA )) (( segid " A" and resid 252 and name HB1 )) ASSI { 2523} (( segid " A" and resid 214 and name HA )) (( segid " A" and resid 252 and name HB1 )) 3.100 1.200 1.200 peak 2523 spectrum 1 weight 0.10000E+01 volume 0.23362E-02 ppm1 5.097 ppm2 2.760 CV 1 ASSI { 2526} (( segid " A" and resid 112 and name HB1 )) (( segid " A" and resid 160 and name HB2 )) 3.700 1.700 1.700 peak 2526 spectrum 1 weight 0.10000E+01 volume 0.80815E-03 ppm1 3.576 ppm2 2.758 CV 1 ASSI { 2527} ( segid " A" and resid 168 and name HD2%) (( segid " A" and resid 252 and name HB1 )) 5.300 3.500 0.700 peak 2527 spectrum 1 weight 0.10000E+01 volume 0.12068E-02 ppm1 1.026 ppm2 2.762 CV 1 OR { 2527} ( segid " A" and resid 168 and name HD2%) (( segid " A" and resid 172 and name HG2 )) ASSI { 2528} ( segid " A" and resid 123 and name HD1%) (( segid " A" and resid 120 and name HB1 )) 3.600 1.600 1.600 peak 2528 spectrum 1 weight 0.10000E+01 volume 0.15980E-02 ppm1 0.935 ppm2 2.752 CV 1 ASSI { 2529} ( segid " A" and resid 214 and name HB% ) (( segid " A" and resid 252 and name HB1 )) 3.200 1.300 1.300 peak 2529 spectrum 1 weight 0.10000E+01 volume 0.32667E-02 ppm1 1.268 ppm2 2.758 CV 1 ASSI { 2530} ( segid " A" and resid 213 and name HG2%) (( segid " A" and resid 252 and name HB1 )) 5.200 3.400 0.800 peak 2530 spectrum 1 weight 0.10000E+01 volume 0.89554E-03 ppm1 0.438 ppm2 2.759 CV 1 ASSI { 2531} ( segid " A" and resid 162 and name HG2%) (( segid " A" and resid 160 and name HB2 )) 3.800 1.800 1.800 peak 2531 spectrum 1 weight 0.10000E+01 volume 0.21889E-02 ppm1 0.761 ppm2 2.763 CV 1 OR { 2531} ( segid " A" and resid 162 and name HG2%) (( segid " A" and resid 252 and name HB1 )) ASSI { 2532} ( segid " A" and resid 165 and name HB% ) (( segid " A" and resid 160 and name HB2 )) 3.200 1.300 1.300 peak 2532 spectrum 1 weight 0.10000E+01 volume 0.32051E-02 ppm1 0.654 ppm2 2.763 CV 1 OR { 2532} ( segid " A" and resid 165 and name HB% ) (( segid " A" and resid 252 and name HB1 )) ASSI { 2533} ( segid " A" and resid 166 and name HB% ) (( segid " A" and resid 160 and name HB2 )) 3.200 1.300 1.300 peak 2533 spectrum 1 weight 0.10000E+01 volume 0.19592E-02 ppm1 1.466 ppm2 2.768 CV 1 ASSI { 2534} (( segid " A" and resid 268 and name HB2 )) (( segid " A" and resid 265 and name HB2 )) 3.300 1.400 1.400 peak 2534 spectrum 1 weight 0.10000E+01 volume 0.68830E-03 ppm1 3.943 ppm2 2.717 CV 1 OR { 2534} (( segid " A" and resid 268 and name HB1 )) (( segid " A" and resid 265 and name HB2 )) ASSI { 2536} (( segid " A" and resid 196 and name HB1 )) (( segid " A" and resid 199 and name HB2 )) 4.900 3.000 1.100 peak 2536 spectrum 1 weight 0.10000E+01 volume 0.10229E-02 ppm1 1.769 ppm2 2.716 CV 1 OR { 2536} (( segid " A" and resid 281 and name HB1 )) (( segid " A" and resid 279 and name HB2 )) ASSI { 2537} (( segid " A" and resid 264 and name HB2 )) (( segid " A" and resid 265 and name HB2 )) 4.400 2.400 1.600 peak 2537 spectrum 1 weight 0.10000E+01 volume 0.16854E-02 ppm1 2.075 ppm2 2.732 CV 1 OR { 2537} (( segid " A" and resid 264 and name HB2 )) (( segid " A" and resid 265 and name HB1 )) OR { 2537} (( segid " A" and resid 264 and name HB1 )) (( segid " A" and resid 265 and name HB2 )) ASSI { 2538} ( segid " A" and resid 272 and name HD2%) (( segid " A" and resid 279 and name HB2 )) 3.300 1.400 1.400 peak 2538 spectrum 1 weight 0.10000E+01 volume 0.56104E-02 ppm1 0.712 ppm2 2.732 CV 1 ASSI { 2539} (( segid " A" and resid 196 and name HA )) (( segid " A" and resid 199 and name HB1 )) 3.600 1.600 1.600 peak 2539 spectrum 1 weight 0.10000E+01 volume 0.13949E-02 ppm1 4.442 ppm2 2.698 CV 1 OR { 2539} (( segid " A" and resid 196 and name HA )) (( segid " A" and resid 199 and name HB2 )) ASSI { 2540} (( segid " A" and resid 200 and name HA )) (( segid " A" and resid 199 and name HB1 )) 3.600 1.600 1.600 peak 2540 spectrum 1 weight 0.10000E+01 volume 0.14964E-02 ppm1 4.130 ppm2 2.697 CV 1 ASSI { 2541} (( segid " A" and resid 225 and name HG12)) (( segid " A" and resid 224 and name HB2 )) 3.800 1.800 1.800 peak 2541 spectrum 1 weight 0.10000E+01 volume 0.11727E-02 ppm1 1.518 ppm2 2.703 CV 1 ASSI { 2542} ( segid " A" and resid 220 and name HD1%) (( segid " A" and resid 224 and name HB2 )) 3.000 1.200 1.200 peak 2542 spectrum 1 weight 0.10000E+01 volume 0.87556E-02 ppm1 0.800 ppm2 2.688 CV 1 ASSI { 2543} ( segid " A" and resid 202 and name HB% ) (( segid " A" and resid 199 and name HB2 )) 2.700 2.700 3.300 peak 2543 spectrum 1 weight 0.10000E+01 volume 0.22996E-02 ppm1 1.569 ppm2 2.698 CV 1 OR { 2543} ( segid " A" and resid 202 and name HB% ) (( segid " A" and resid 199 and name HB1 )) ASSI { 2544} ( segid " A" and resid 225 and name HD1%) (( segid " A" and resid 224 and name HB2 )) 4.200 2.300 1.800 peak 2544 spectrum 1 weight 0.10000E+01 volume 0.10628E-02 ppm1 0.635 ppm2 2.688 CV 1 ASSI { 2545} (( segid " A" and resid 263 and name HA )) (( segid " A" and resid 209 and name HB1 )) 4.700 2.800 1.300 peak 2545 spectrum 1 weight 0.10000E+01 volume 0.85808E-03 ppm1 3.709 ppm2 2.669 CV 1 OR { 2545} (( segid " A" and resid 226 and name HA )) (( segid " A" and resid 223 and name HB1 )) ASSI { 2546} (( segid " A" and resid 266 and name HA )) (( segid " A" and resid 232 and name HB2 )) 3.300 1.300 1.300 peak 2546 spectrum 1 weight 0.10000E+01 volume 0.13333E-02 ppm1 2.331 ppm2 2.673 CV 1 ASSI { 2547} ( segid " A" and resid 275 and name HD2%) (( segid " A" and resid 224 and name HB2 )) 3.100 1.200 1.200 peak 2547 spectrum 1 weight 0.10000E+01 volume 0.10004E-02 ppm1 0.973 ppm2 2.669 CV 1 ASSI { 2548} ( segid " A" and resid 170 and name HD1%) (( segid " A" and resid 171 and name HG2 )) 4.000 2.000 2.000 peak 2548 spectrum 1 weight 0.10000E+01 volume 0.18202E-02 ppm1 0.802 ppm2 2.657 CV 1 ASSI { 2549} ( segid " A" and resid 266 and name HB% ) (( segid " A" and resid 232 and name HB2 )) 2.900 1.100 1.100 peak 2549 spectrum 1 weight 0.10000E+01 volume 0.37112E-02 ppm1 1.339 ppm2 2.660 CV 1 ASSI { 2550} (( segid " A" and resid 221 and name HB1 )) (( segid " A" and resid 223 and name HB1 )) 4.100 2.100 1.900 peak 2550 spectrum 1 weight 0.10000E+01 volume 0.14107E-02 ppm1 3.997 ppm2 2.644 CV 1 ASSI { 2551} (( segid " A" and resid 263 and name HB1 )) (( segid " A" and resid 209 and name HB1 )) 3.500 1.500 1.500 peak 2551 spectrum 1 weight 0.10000E+01 volume 0.82979E-03 ppm1 3.847 ppm2 2.649 CV 1 ASSI { 2552} (( segid " A" and resid 263 and name HB2 )) (( segid " A" and resid 209 and name HB1 )) 4.100 2.100 1.900 peak 2552 spectrum 1 weight 0.10000E+01 volume 0.10978E-02 ppm1 3.756 ppm2 2.652 CV 1 ASSI { 2553} (( segid " A" and resid 164 and name HA )) (( segid " A" and resid 164 and name HG1 )) 3.300 1.300 1.300 peak 2553 spectrum 1 weight 0.10000E+01 volume 0.20258E-02 ppm1 3.314 ppm2 2.623 CV 1 ASSI { 2554} (( segid " A" and resid 260 and name HA )) (( segid " A" and resid 209 and name HB1 )) 2.800 1.000 1.000 peak 2554 spectrum 1 weight 0.10000E+01 volume 0.32576E-02 ppm1 3.938 ppm2 2.644 CV 1 ASSI { 2555} (( segid " A" and resid 170 and name HB1 )) (( segid " A" and resid 171 and name HG2 )) 4.000 2.000 2.000 peak 2555 spectrum 1 weight 0.10000E+01 volume 0.11394E-02 ppm1 1.575 ppm2 2.650 CV 1 ASSI { 2556} (( segid " A" and resid 121 and name HB2 )) (( segid " A" and resid 121 and name HB1 )) 2.000 0.500 0.500 peak 2556 spectrum 1 weight 0.10000E+01 volume 0.10870E-01 ppm1 2.821 ppm2 2.633 CV 1 ASSI { 2557} (( segid " A" and resid 163 and name HG1 )) (( segid " A" and resid 164 and name HG1 )) 4.100 2.100 1.900 peak 2557 spectrum 1 weight 0.10000E+01 volume 0.10004E-02 ppm1 2.003 ppm2 2.632 CV 1 OR { 2557} (( segid " A" and resid 163 and name HG1 )) (( segid " A" and resid 111 and name HG1 )) ASSI { 2558} ( segid " A" and resid 168 and name HD2%) (( segid " A" and resid 135 and name HB2 )) 4.700 2.700 1.300 peak 2558 spectrum 1 weight 0.10000E+01 volume 0.15597E-02 ppm1 1.025 ppm2 2.632 CV 1 OR { 2558} ( segid " A" and resid 168 and name HD2%) (( segid " A" and resid 164 and name HG1 )) ASSI { 2559} ( segid " A" and resid 168 and name HD1%) (( segid " A" and resid 135 and name HB2 )) 5.100 3.300 0.900 peak 2559 spectrum 1 weight 0.10000E+01 volume 0.13233E-02 ppm1 0.909 ppm2 2.651 CV 1 OR { 2559} ( segid " A" and resid 168 and name HD1%) (( segid " A" and resid 171 and name HG2 )) ASSI { 2560} ( segid " A" and resid 285 and name HB% ) (( segid " A" and resid 164 and name HG1 )) 3.400 1.400 1.400 peak 2560 spectrum 1 weight 0.10000E+01 volume 0.27574E-02 ppm1 1.524 ppm2 2.625 CV 1 ASSI { 2561} ( segid " A" and resid 165 and name HB% ) (( segid " A" and resid 135 and name HB2 )) 3.000 1.100 1.100 peak 2561 spectrum 1 weight 0.10000E+01 volume 0.15289E-02 ppm1 0.652 ppm2 2.626 CV 1 ASSI { 2562} ( segid " A" and resid 207 and name HB% ) (( segid " A" and resid 204 and name HG2 )) 4.400 2.400 1.600 peak 2562 spectrum 1 weight 0.10000E+01 volume 0.12185E-02 ppm1 1.149 ppm2 2.649 CV 1 OR { 2562} ( segid " A" and resid 205 and name HB% ) (( segid " A" and resid 204 and name HG2 )) ASSI { 2563} (( segid " A" and resid 165 and name HA )) (( segid " A" and resid 135 and name HB2 )) 4.200 2.200 1.800 peak 2563 spectrum 1 weight 0.10000E+01 volume 0.10171E-02 ppm1 3.650 ppm2 2.614 CV 1 ASSI { 2565} (( segid " A" and resid 225 and name HB )) (( segid " A" and resid 222 and name HB1 )) 4.500 2.500 1.500 peak 2565 spectrum 1 weight 0.10000E+01 volume 0.89887E-03 ppm1 1.882 ppm2 2.609 CV 1 OR { 2565} (( segid " A" and resid 225 and name HB )) (( segid " A" and resid 222 and name HB2 )) ASSI { 2566} (( segid " A" and resid 111 and name HB2 )) (( segid " A" and resid 111 and name HG1 )) 2.800 1.000 1.000 peak 2566 spectrum 1 weight 0.10000E+01 volume 0.34323E-02 ppm1 2.293 ppm2 2.604 CV 1 OR { 2566} (( segid " A" and resid 111 and name HB1 )) (( segid " A" and resid 111 and name HG2 )) OR { 2566} (( segid " A" and resid 111 and name HB1 )) (( segid " A" and resid 111 and name HG1 )) OR { 2566} (( segid " A" and resid 111 and name HB2 )) (( segid " A" and resid 111 and name HG2 )) ASSI { 2567} (( segid " A" and resid 198 and name HG11)) (( segid " A" and resid 111 and name HG2 )) 4.500 2.500 1.500 peak 2567 spectrum 1 weight 0.10000E+01 volume 0.11594E-02 ppm1 1.213 ppm2 2.610 CV 1 OR { 2567} (( segid " A" and resid 198 and name HG11)) (( segid " A" and resid 111 and name HG1 )) ASSI { 2568} (( segid " A" and resid 240 and name HG )) (( segid " A" and resid 222 and name HB1 )) 3.400 1.500 1.500 peak 2568 spectrum 1 weight 0.10000E+01 volume 0.13483E-02 ppm1 1.161 ppm2 2.611 CV 1 OR { 2568} (( segid " A" and resid 240 and name HG )) (( segid " A" and resid 222 and name HB2 )) ASSI { 2569} ( segid " A" and resid 240 and name HD1%) (( segid " A" and resid 222 and name HB1 )) 3.300 1.400 1.400 peak 2569 spectrum 1 weight 0.10000E+01 volume 0.37960E-02 ppm1 -0.053 ppm2 2.602 CV 1 OR { 2569} ( segid " A" and resid 240 and name HD1%) (( segid " A" and resid 249 and name HB2 )) ASSI { 2570} ( segid " A" and resid 240 and name HD2%) (( segid " A" and resid 222 and name HB1 )) 4.100 2.100 1.900 peak 2570 spectrum 1 weight 0.10000E+01 volume 0.14074E-02 ppm1 0.109 ppm2 2.612 CV 1 ASSI { 2571} ( segid " A" and resid 110 and name HG2%) (( segid " A" and resid 111 and name HG1 )) 4.100 2.100 1.900 peak 2571 spectrum 1 weight 0.10000E+01 volume 0.13982E-02 ppm1 0.846 ppm2 2.602 CV 1 OR { 2571} ( segid " A" and resid 110 and name HG2%) (( segid " A" and resid 111 and name HG2 )) ASSI { 2572} ( segid " A" and resid 111 and name HE% ) (( segid " A" and resid 111 and name HG2 )) 2.900 1.000 1.000 peak 2572 spectrum 1 weight 0.10000E+01 volume 0.64202E-02 ppm1 1.970 ppm2 2.602 CV 1 OR { 2572} ( segid " A" and resid 111 and name HE% ) (( segid " A" and resid 111 and name HG1 )) ASSI { 2573} ( segid " A" and resid 198 and name HG2%) (( segid " A" and resid 111 and name HG2 )) 3.600 1.600 1.600 peak 2573 spectrum 1 weight 0.10000E+01 volume 0.18860E-02 ppm1 0.931 ppm2 2.605 CV 1 OR { 2573} ( segid " A" and resid 198 and name HG2%) (( segid " A" and resid 111 and name HG1 )) ASSI { 2574} ( segid " A" and resid 198 and name HD1%) (( segid " A" and resid 111 and name HG2 )) 3.000 1.100 1.100 peak 2574 spectrum 1 weight 0.10000E+01 volume 0.34515E-02 ppm1 0.728 ppm2 2.601 CV 1 OR { 2574} ( segid " A" and resid 198 and name HD1%) (( segid " A" and resid 111 and name HG1 )) ASSI { 2575} (( segid " A" and resid 248 and name HA )) (( segid " A" and resid 249 and name HB2 )) 5.200 3.400 0.800 peak 2575 spectrum 1 weight 0.10000E+01 volume 0.75238E-03 ppm1 4.428 ppm2 2.571 CV 1 OR { 2575} (( segid " A" and resid 250 and name HA )) (( segid " A" and resid 249 and name HB2 )) ASSI { 2576} (( segid " A" and resid 240 and name HB2 )) (( segid " A" and resid 222 and name HB1 )) 3.900 1.900 1.900 peak 2576 spectrum 1 weight 0.10000E+01 volume 0.14190E-02 ppm1 1.488 ppm2 2.589 CV 1 OR { 2576} (( segid " A" and resid 240 and name HB2 )) (( segid " A" and resid 249 and name HB2 )) OR { 2576} (( segid " A" and resid 240 and name HB2 )) (( segid " A" and resid 222 and name HB2 )) ASSI { 2577} (( segid " A" and resid 240 and name HB1 )) (( segid " A" and resid 249 and name HB2 )) 3.200 1.300 1.300 peak 2577 spectrum 1 weight 0.10000E+01 volume 0.12368E-02 ppm1 0.800 ppm2 2.580 CV 1 ASSI { 2578} (( segid " A" and resid 127 and name HA )) (( segid " A" and resid 130 and name HG2 )) 4.600 2.600 1.400 peak 2578 spectrum 1 weight 0.10000E+01 volume 0.17020E-02 ppm1 3.998 ppm2 2.550 CV 1 ASSI { 2579} (( segid " A" and resid 226 and name HA )) (( segid " A" and resid 230 and name HG2 )) 5.200 3.400 0.800 peak 2579 spectrum 1 weight 0.10000E+01 volume 0.96795E-03 ppm1 3.703 ppm2 2.544 CV 1 OR { 2579} (( segid " A" and resid 226 and name HA )) (( segid " A" and resid 230 and name HG1 )) ASSI { 2582} (( segid " A" and resid 226 and name HE2 )) (( segid " A" and resid 230 and name HG2 )) 3.400 1.500 1.500 peak 2582 spectrum 1 weight 0.10000E+01 volume 0.36071E-02 ppm1 2.870 ppm2 2.546 CV 1 OR { 2582} (( segid " A" and resid 226 and name HE2 )) (( segid " A" and resid 230 and name HG1 )) OR { 2582} (( segid " A" and resid 226 and name HE1 )) (( segid " A" and resid 230 and name HG2 )) OR { 2582} (( segid " A" and resid 226 and name HE1 )) (( segid " A" and resid 230 and name HG1 )) ASSI { 2583} (( segid " A" and resid 235 and name HB )) (( segid " A" and resid 230 and name HG2 )) 4.000 2.000 2.000 peak 2583 spectrum 1 weight 0.10000E+01 volume 0.13433E-02 ppm1 1.644 ppm2 2.545 CV 1 OR { 2583} (( segid " A" and resid 235 and name HB )) (( segid " A" and resid 230 and name HG1 )) ASSI { 2584} (( segid " A" and resid 272 and name HB1 )) (( segid " A" and resid 279 and name HB1 )) 4.000 2.000 2.000 peak 2584 spectrum 1 weight 0.10000E+01 volume 0.75488E-03 ppm1 1.544 ppm2 2.551 CV 1 ASSI { 2585} (( segid " A" and resid 235 and name HG12)) (( segid " A" and resid 230 and name HG2 )) 4.500 2.500 1.500 peak 2585 spectrum 1 weight 0.10000E+01 volume 0.18152E-02 ppm1 1.959 ppm2 2.540 CV 1 OR { 2585} (( segid " A" and resid 129 and name HB2 )) (( segid " A" and resid 130 and name HG2 )) ASSI { 2586} (( segid " A" and resid 272 and name HG )) (( segid " A" and resid 279 and name HB1 )) 4.800 2.900 1.200 peak 2586 spectrum 1 weight 0.10000E+01 volume 0.10245E-02 ppm1 1.505 ppm2 2.549 CV 1 ASSI { 2587} (( segid " A" and resid 226 and name HG2 )) (( segid " A" and resid 230 and name HG2 )) 4.000 2.000 2.000 peak 2587 spectrum 1 weight 0.10000E+01 volume 0.14457E-02 ppm1 1.390 ppm2 2.537 CV 1 OR { 2587} (( segid " A" and resid 226 and name HG2 )) (( segid " A" and resid 230 and name HG1 )) ASSI { 2588} ( segid " A" and resid 272 and name HD2%) (( segid " A" and resid 279 and name HB1 )) 2.800 1.000 1.000 peak 2588 spectrum 1 weight 0.10000E+01 volume 0.68272E-02 ppm1 0.712 ppm2 2.562 CV 1 ASSI { 2589} ( segid " A" and resid 197 and name HG2%) (( segid " A" and resid 200 and name HG1 )) 4.500 2.500 1.500 peak 2589 spectrum 1 weight 0.10000E+01 volume 0.10395E-02 ppm1 0.876 ppm2 2.535 CV 1 ASSI { 2590} ( segid " A" and resid 235 and name HD1%) (( segid " A" and resid 230 and name HG2 )) 3.100 1.200 1.200 peak 2590 spectrum 1 weight 0.10000E+01 volume 0.61747E-02 ppm1 0.700 ppm2 2.541 CV 1 ASSI { 2591} (( segid " A" and resid 227 and name HB2 )) (( segid " A" and resid 230 and name HG2 )) 4.000 2.000 2.000 peak 2591 spectrum 1 weight 0.10000E+01 volume 0.19309E-02 ppm1 4.019 ppm2 2.522 CV 1 OR { 2591} (( segid " A" and resid 227 and name HB2 )) (( segid " A" and resid 230 and name HG1 )) OR { 2591} (( segid " A" and resid 227 and name HB1 )) (( segid " A" and resid 230 and name HG2 )) OR { 2591} (( segid " A" and resid 227 and name HB1 )) (( segid " A" and resid 230 and name HG1 )) ASSI { 2592} (( segid " A" and resid 227 and name HA )) (( segid " A" and resid 230 and name HG2 )) 4.200 2.200 1.800 peak 2592 spectrum 1 weight 0.10000E+01 volume 0.17020E-02 ppm1 4.245 ppm2 2.534 CV 1 OR { 2592} (( segid " A" and resid 227 and name HA )) (( segid " A" and resid 230 and name HG1 )) ASSI { 2593} (( segid " A" and resid 231 and name HA )) (( segid " A" and resid 230 and name HG1 )) 4.200 2.200 1.800 peak 2593 spectrum 1 weight 0.10000E+01 volume 0.88971E-03 ppm1 3.912 ppm2 2.529 CV 1 OR { 2593} (( segid " A" and resid 231 and name HA )) (( segid " A" and resid 230 and name HG2 )) ASSI { 2594} (( segid " A" and resid 250 and name HA )) (( segid " A" and resid 250 and name HB2 )) 3.500 1.600 1.600 peak 2594 spectrum 1 weight 0.10000E+01 volume 0.21456E-02 ppm1 4.425 ppm2 2.462 CV 1 ASSI { 2596} (( segid " A" and resid 250 and name HG2 )) (( segid " A" and resid 250 and name HB2 )) 3.200 1.300 1.300 peak 2596 spectrum 1 weight 0.10000E+01 volume 0.35455E-02 ppm1 1.484 ppm2 2.450 CV 1 ASSI { 2598} ( segid " A" and resid 241 and name HB% ) (( segid " A" and resid 250 and name HB2 )) 2.800 1.000 1.000 peak 2598 spectrum 1 weight 0.10000E+01 volume 0.33142E-02 ppm1 0.779 ppm2 2.458 CV 1 ASSI { 2599} (( segid " A" and resid 127 and name HA )) (( segid " A" and resid 130 and name HG1 )) 3.800 1.800 1.800 peak 2599 spectrum 1 weight 0.10000E+01 volume 0.11061E-02 ppm1 3.999 ppm2 2.427 CV 1 ASSI { 2601} (( segid " A" and resid 250 and name HD2 )) (( segid " A" and resid 250 and name HB2 )) 2.900 1.000 1.000 peak 2601 spectrum 1 weight 0.10000E+01 volume 0.40898E-02 ppm1 1.807 ppm2 2.431 CV 1 ASSI { 2602} ( segid " A" and resid 133 and name HB% ) (( segid " A" and resid 130 and name HG1 )) 3.200 3.200 2.800 peak 2602 spectrum 1 weight 0.10000E+01 volume 0.10545E-02 ppm1 1.614 ppm2 2.425 CV 1 ASSI { 2604} (( segid " A" and resid 196 and name HB1 )) (( segid " A" and resid 196 and name HB2 )) 1.800 0.400 0.400 peak 2604 spectrum 1 weight 0.10000E+01 volume 0.16904E-01 ppm1 1.767 ppm2 2.388 CV 1 ASSI { 2605} (( segid " A" and resid 130 and name HB1 )) (( segid " A" and resid 130 and name HG1 )) 1.900 0.500 0.500 peak 2605 spectrum 1 weight 0.10000E+01 volume 0.46483E-01 ppm1 2.177 ppm2 2.407 CV 1 OR { 2605} (( segid " A" and resid 130 and name HB2 )) (( segid " A" and resid 130 and name HG1 )) ASSI { 2606} (( segid " A" and resid 197 and name HG11)) (( segid " A" and resid 196 and name HB2 )) 3.600 1.600 1.600 peak 2606 spectrum 1 weight 0.10000E+01 volume 0.93133E-03 ppm1 1.328 ppm2 2.394 CV 1 ASSI { 2607} ( segid " A" and resid 114 and name HG2%) (( segid " A" and resid 169 and name HA )) 4.000 2.000 2.000 peak 2607 spectrum 1 weight 0.10000E+01 volume 0.22763E-02 ppm1 0.926 ppm2 2.398 CV 1 ASSI { 2608} ( segid " A" and resid 197 and name HD1%) (( segid " A" and resid 196 and name HB2 )) 2.700 2.700 3.300 peak 2608 spectrum 1 weight 0.10000E+01 volume 0.27307E-02 ppm1 0.793 ppm2 2.411 CV 1 OR { 2608} ( segid " A" and resid 197 and name HD1%) (( segid " A" and resid 193 and name HG1 )) ASSI { 2610} (( segid " A" and resid 164 and name HA )) (( segid " A" and resid 164 and name HG2 )) 3.200 1.300 1.300 peak 2610 spectrum 1 weight 0.10000E+01 volume 0.39334E-02 ppm1 3.315 ppm2 2.363 CV 1 ASSI { 2611} (( segid " A" and resid 202 and name HA )) (( segid " A" and resid 286 and name HB )) 3.400 1.400 1.400 peak 2611 spectrum 1 weight 0.10000E+01 volume 0.23229E-02 ppm1 3.935 ppm2 2.377 CV 1 OR { 2611} (( segid " A" and resid 260 and name HA )) (( segid " A" and resid 264 and name HG1 )) OR { 2611} (( segid " A" and resid 260 and name HA )) (( segid " A" and resid 264 and name HG2 )) ASSI { 2612} (( segid " A" and resid 196 and name HD2 )) (( segid " A" and resid 196 and name HB2 )) 3.100 1.200 1.200 peak 2612 spectrum 1 weight 0.10000E+01 volume 0.30395E-02 ppm1 3.689 ppm2 2.382 CV 1 ASSI { 2613} (( segid " A" and resid 196 and name HD1 )) (( segid " A" and resid 196 and name HB2 )) 3.500 1.500 1.500 peak 2613 spectrum 1 weight 0.10000E+01 volume 0.40757E-02 ppm1 3.509 ppm2 2.359 CV 1 OR { 2613} (( segid " A" and resid 137 and name HD1 )) (( segid " A" and resid 137 and name HB1 )) OR { 2613} (( segid " A" and resid 196 and name HD1 )) (( segid " A" and resid 195 and name HG1 )) ASSI { 2614} (( segid " A" and resid 168 and name HB1 )) (( segid " A" and resid 169 and name HA )) 4.400 2.500 1.600 peak 2614 spectrum 1 weight 0.10000E+01 volume 0.96878E-03 ppm1 1.550 ppm2 2.379 CV 1 OR { 2614} (( segid " A" and resid 168 and name HB1 )) (( segid " A" and resid 164 and name HG2 )) ASSI { 2615} (( segid " A" and resid 170 and name HB2 )) (( segid " A" and resid 169 and name HA )) 4.600 2.600 1.400 peak 2615 spectrum 1 weight 0.10000E+01 volume 0.95213E-03 ppm1 1.796 ppm2 2.367 CV 1 OR { 2615} (( segid " A" and resid 170 and name HB2 )) (( segid " A" and resid 115 and name HB2 )) OR { 2615} (( segid " A" and resid 170 and name HB2 )) (( segid " A" and resid 172 and name HB1 )) ASSI { 2616} (( segid " A" and resid 198 and name HB )) (( segid " A" and resid 195 and name HG2 )) 3.100 1.200 1.200 peak 2616 spectrum 1 weight 0.10000E+01 volume 0.17062E-02 ppm1 1.999 ppm2 2.372 CV 1 OR { 2616} (( segid " A" and resid 198 and name HB )) (( segid " A" and resid 200 and name HG2 )) OR { 2616} (( segid " A" and resid 198 and name HB )) (( segid " A" and resid 286 and name HB )) OR { 2616} (( segid " A" and resid 198 and name HB )) (( segid " A" and resid 195 and name HG1 )) ASSI { 2617} (( segid " A" and resid 111 and name HG1 )) (( segid " A" and resid 111 and name HB2 )) 2.800 1.000 1.000 peak 2617 spectrum 1 weight 0.10000E+01 volume 0.37727E-02 ppm1 2.606 ppm2 2.293 CV 1 OR { 2617} (( segid " A" and resid 111 and name HG2 )) (( segid " A" and resid 111 and name HB1 )) OR { 2617} (( segid " A" and resid 111 and name HG1 )) (( segid " A" and resid 111 and name HB1 )) OR { 2617} (( segid " A" and resid 111 and name HG2 )) (( segid " A" and resid 111 and name HB2 )) ASSI { 2618} (( segid " A" and resid 196 and name HG2 )) (( segid " A" and resid 196 and name HB2 )) 2.400 0.700 0.700 peak 2618 spectrum 1 weight 0.10000E+01 volume 0.73948E-02 ppm1 2.001 ppm2 2.382 CV 1 ASSI { 2619} (( segid " A" and resid 197 and name HG12)) (( segid " A" and resid 196 and name HB2 )) 4.000 2.000 2.000 peak 2619 spectrum 1 weight 0.10000E+01 volume 0.11760E-02 ppm1 1.474 ppm2 2.382 CV 1 ASSI { 2620} (( segid " A" and resid 191 and name HG11)) (( segid " A" and resid 195 and name HG1 )) 3.700 1.700 1.700 peak 2620 spectrum 1 weight 0.10000E+01 volume 0.12168E-02 ppm1 1.223 ppm2 2.369 CV 1 OR { 2620} (( segid " A" and resid 191 and name HG11)) (( segid " A" and resid 195 and name HG2 )) OR { 2620} (( segid " A" and resid 198 and name HG11)) (( segid " A" and resid 195 and name HG2 )) OR { 2620} (( segid " A" and resid 198 and name HG11)) (( segid " A" and resid 200 and name HG2 )) ASSI { 2621} ( segid " A" and resid 285 and name HB% ) (( segid " A" and resid 212 and name HB1 )) 3.600 1.600 1.600 peak 2621 spectrum 1 weight 0.10000E+01 volume 0.36546E-02 ppm1 1.523 ppm2 2.360 CV 1 OR { 2621} ( segid " A" and resid 285 and name HB% ) (( segid " A" and resid 164 and name HG2 )) ASSI { 2622} ( segid " A" and resid 173 and name HE% ) (( segid " A" and resid 169 and name HA )) 3.900 1.900 1.900 peak 2622 spectrum 1 weight 0.10000E+01 volume 0.16687E-02 ppm1 1.392 ppm2 2.371 CV 1 ASSI { 2623} ( segid " A" and resid 198 and name HG2%) (( segid " A" and resid 286 and name HB )) 2.900 1.000 1.000 peak 2623 spectrum 1 weight 0.10000E+01 volume 0.41389E-02 ppm1 0.931 ppm2 2.373 CV 1 OR { 2623} ( segid " A" and resid 198 and name HG2%) (( segid " A" and resid 200 and name HG2 )) ASSI { 2624} ( segid " A" and resid 198 and name HD1%) (( segid " A" and resid 195 and name HG2 )) 2.600 2.600 3.400 peak 2624 spectrum 1 weight 0.10000E+01 volume 0.53824E-02 ppm1 0.730 ppm2 2.368 CV 1 OR { 2624} ( segid " A" and resid 110 and name HD1%) (( segid " A" and resid 195 and name HG2 )) OR { 2624} ( segid " A" and resid 110 and name HD1%) (( segid " A" and resid 195 and name HG1 )) OR { 2624} ( segid " A" and resid 198 and name HD1%) (( segid " A" and resid 195 and name HG1 )) OR { 2624} ( segid " A" and resid 110 and name HD1%) (( segid " A" and resid 196 and name HB2 )) ASSI { 2627} (( segid " A" and resid 226 and name HA )) (( segid " A" and resid 238 and name HB1 )) 4.100 2.200 1.900 peak 2627 spectrum 1 weight 0.10000E+01 volume 0.15056E-02 ppm1 3.709 ppm2 2.337 CV 1 OR { 2627} (( segid " A" and resid 125 and name HA )) (( segid " A" and resid 143 and name HG1 )) ASSI { 2628} (( segid " A" and resid 282 and name HA )) (( segid " A" and resid 212 and name HB1 )) 4.300 2.300 1.700 peak 2628 spectrum 1 weight 0.10000E+01 volume 0.71077E-03 ppm1 5.392 ppm2 2.342 CV 1 ASSI { 2629} (( segid " A" and resid 111 and name HA )) (( segid " A" and resid 111 and name HB1 )) 2.500 0.800 0.800 peak 2629 spectrum 1 weight 0.10000E+01 volume 0.84227E-02 ppm1 3.904 ppm2 2.302 CV 1 OR { 2629} (( segid " A" and resid 111 and name HA )) (( segid " A" and resid 111 and name HB2 )) ASSI { 2631} (( segid " A" and resid 226 and name HE1 )) (( segid " A" and resid 238 and name HB1 )) 4.200 2.200 1.800 peak 2631 spectrum 1 weight 0.10000E+01 volume 0.23096E-02 ppm1 2.867 ppm2 2.336 CV 1 OR { 2631} (( segid " A" and resid 226 and name HE2 )) (( segid " A" and resid 238 and name HB1 )) ASSI { 2632} (( segid " A" and resid 235 and name HB )) (( segid " A" and resid 230 and name HB1 )) 5.100 3.300 0.900 peak 2632 spectrum 1 weight 0.10000E+01 volume 0.92134E-03 ppm1 1.633 ppm2 2.331 CV 1 OR { 2632} (( segid " A" and resid 235 and name HB )) (( segid " A" and resid 238 and name HB1 )) ASSI { 2633} (( segid " A" and resid 232 and name HB1 )) (( segid " A" and resid 266 and name HA )) 4.200 2.200 1.800 peak 2633 spectrum 1 weight 0.10000E+01 volume 0.67082E-03 ppm1 3.468 ppm2 2.349 CV 1 ASSI { 2634} (( segid " A" and resid 167 and name HG1 )) (( segid " A" and resid 167 and name HG2 )) 1.700 0.400 0.500 peak 2634 spectrum 1 weight 0.10000E+01 volume 0.15697E-01 ppm1 2.176 ppm2 2.342 CV 1 ASSI { 2635} (( segid " A" and resid 164 and name HB1 )) (( segid " A" and resid 164 and name HG2 )) 3.200 1.300 1.300 peak 2635 spectrum 1 weight 0.10000E+01 volume 0.16379E-02 ppm1 0.723 ppm2 2.358 CV 1 OR { 2635} (( segid " A" and resid 164 and name HB2 )) (( segid " A" and resid 164 and name HG2 )) OR { 2635} (( segid " A" and resid 164 and name HB1 )) (( segid " A" and resid 212 and name HB1 )) ASSI { 2636} ( segid " A" and resid 168 and name HD2%) (( segid " A" and resid 212 and name HB1 )) 4.000 2.000 2.000 peak 2636 spectrum 1 weight 0.10000E+01 volume 0.22929E-02 ppm1 1.026 ppm2 2.351 CV 1 OR { 2636} ( segid " A" and resid 168 and name HD2%) (( segid " A" and resid 164 and name HG2 )) ASSI { 2638} ( segid " A" and resid 202 and name HB% ) (( segid " A" and resid 203 and name HG1 )) 3.200 1.200 1.200 peak 2638 spectrum 1 weight 0.10000E+01 volume 0.35081E-02 ppm1 1.569 ppm2 2.345 CV 1 ASSI { 2639} ( segid " A" and resid 255 and name HG2%) (( segid " A" and resid 238 and name HB1 )) 3.800 1.800 1.800 peak 2639 spectrum 1 weight 0.10000E+01 volume 0.25668E-02 ppm1 0.228 ppm2 2.343 CV 1 ASSI { 2640} ( segid " A" and resid 141 and name HG2%) (( segid " A" and resid 143 and name HG1 )) 3.500 1.600 1.600 peak 2640 spectrum 1 weight 0.10000E+01 volume 0.39334E-02 ppm1 0.596 ppm2 2.330 CV 1 ASSI { 2641} ( segid " A" and resid 111 and name HE% ) (( segid " A" and resid 286 and name HB )) 2.300 0.600 0.600 peak 2641 spectrum 1 weight 0.10000E+01 volume 0.18959E-01 ppm1 1.971 ppm2 2.353 CV 1 OR { 2641} ( segid " A" and resid 111 and name HE% ) (( segid " A" and resid 167 and name HG2 )) ASSI { 2642} ( segid " A" and resid 255 and name HD1%) (( segid " A" and resid 238 and name HB1 )) 4.200 2.200 1.800 peak 2642 spectrum 1 weight 0.10000E+01 volume 0.12151E-02 ppm1 -0.131 ppm2 2.335 CV 1 ASSI { 2645} (( segid " A" and resid 206 and name HD1 )) (( segid " A" and resid 203 and name HG2 )) 3.500 1.500 1.500 peak 2645 spectrum 1 weight 0.10000E+01 volume 0.22763E-02 ppm1 3.277 ppm2 2.308 CV 1 OR { 2645} (( segid " A" and resid 206 and name HD2 )) (( segid " A" and resid 203 and name HG2 )) OR { 2645} (( segid " A" and resid 206 and name HD1 )) (( segid " A" and resid 203 and name HG1 )) ASSI { 2646} (( segid " A" and resid 226 and name HG1 )) (( segid " A" and resid 238 and name HB1 )) 3.900 1.900 1.900 peak 2646 spectrum 1 weight 0.10000E+01 volume 0.11860E-02 ppm1 1.252 ppm2 2.322 CV 1 OR { 2646} (( segid " A" and resid 226 and name HG1 )) (( segid " A" and resid 230 and name HB1 )) ASSI { 2647} ( segid " A" and resid 201 and name HD2%) (( segid " A" and resid 204 and name HG1 )) 3.100 1.200 1.200 peak 2647 spectrum 1 weight 0.10000E+01 volume 0.58177E-02 ppm1 0.811 ppm2 2.308 CV 1 OR { 2647} ( segid " A" and resid 201 and name HD2%) (( segid " A" and resid 288 and name HG1 )) ASSI { 2648} ( segid " A" and resid 267 and name HG2%) (( segid " A" and resid 266 and name HA )) 3.300 1.400 1.400 peak 2648 spectrum 1 weight 0.10000E+01 volume 0.57769E-02 ppm1 1.011 ppm2 2.317 CV 1 OR { 2648} ( segid " A" and resid 267 and name HG2%) (( segid " A" and resid 212 and name HB1 )) ASSI { 2649} ( segid " A" and resid 213 and name HG1%) (( segid " A" and resid 280 and name HB2 )) 3.900 1.900 1.900 peak 2649 spectrum 1 weight 0.10000E+01 volume 0.24636E-02 ppm1 0.384 ppm2 2.314 CV 1 OR { 2649} ( segid " A" and resid 213 and name HG1%) (( segid " A" and resid 212 and name HB1 )) OR { 2649} ( segid " A" and resid 216 and name HG2%) (( segid " A" and resid 280 and name HB2 )) ASSI { 2650} ( segid " A" and resid 213 and name HG2%) (( segid " A" and resid 212 and name HB1 )) 4.500 2.600 1.500 peak 2650 spectrum 1 weight 0.10000E+01 volume 0.18152E-02 ppm1 0.441 ppm2 2.319 CV 1 OR { 2650} ( segid " A" and resid 213 and name HG2%) (( segid " A" and resid 280 and name HB2 )) ASSI { 2651} ( segid " A" and resid 205 and name HB% ) (( segid " A" and resid 288 and name HG1 )) 3.800 1.800 1.800 peak 2651 spectrum 1 weight 0.10000E+01 volume 0.38343E-02 ppm1 1.153 ppm2 2.312 CV 1 OR { 2651} ( segid " A" and resid 205 and name HB% ) (( segid " A" and resid 204 and name HG1 )) OR { 2651} ( segid " A" and resid 207 and name HB% ) (( segid " A" and resid 204 and name HG1 )) OR { 2651} ( segid " A" and resid 207 and name HB% ) (( segid " A" and resid 288 and name HG1 )) ASSI { 2652} ( segid " A" and resid 211 and name HD1%) (( segid " A" and resid 266 and name HA )) 4.700 2.700 1.300 peak 2652 spectrum 1 weight 0.10000E+01 volume 0.13000E-02 ppm1 0.753 ppm2 2.323 CV 1 OR { 2652} ( segid " A" and resid 211 and name HD1%) (( segid " A" and resid 212 and name HB1 )) OR { 2652} ( segid " A" and resid 211 and name HD1%) (( segid " A" and resid 280 and name HB2 )) ASSI { 2653} ( segid " A" and resid 235 and name HD1%) (( segid " A" and resid 230 and name HB1 )) 3.500 1.500 1.500 peak 2653 spectrum 1 weight 0.10000E+01 volume 0.48414E-02 ppm1 0.701 ppm2 2.314 CV 1 ASSI { 2654} (( segid " A" and resid 108 and name HA )) (( segid " A" and resid 111 and name HB2 )) 2.400 0.700 0.700 peak 2654 spectrum 1 weight 0.10000E+01 volume 0.65243E-02 ppm1 4.013 ppm2 2.286 CV 1 OR { 2654} (( segid " A" and resid 108 and name HA )) (( segid " A" and resid 111 and name HB1 )) ASSI { 2655} (( segid " A" and resid 205 and name HA )) (( segid " A" and resid 288 and name HG1 )) 4.000 2.000 2.000 peak 2655 spectrum 1 weight 0.10000E+01 volume 0.18077E-02 ppm1 3.866 ppm2 2.292 CV 1 OR { 2655} (( segid " A" and resid 205 and name HA )) (( segid " A" and resid 204 and name HG1 )) ASSI { 2656} (( segid " A" and resid 163 and name HB1 )) (( segid " A" and resid 111 and name HB2 )) 2.500 0.800 0.800 peak 2656 spectrum 1 weight 0.10000E+01 volume 0.39142E-02 ppm1 1.700 ppm2 2.288 CV 1 OR { 2656} (( segid " A" and resid 163 and name HB1 )) (( segid " A" and resid 111 and name HB1 )) ASSI { 2657} ( segid " A" and resid 110 and name HG2%) (( segid " A" and resid 111 and name HB2 )) 4.300 2.300 1.700 peak 2657 spectrum 1 weight 0.10000E+01 volume 0.17986E-02 ppm1 0.842 ppm2 2.294 CV 1 OR { 2657} ( segid " A" and resid 110 and name HG2%) (( segid " A" and resid 111 and name HB1 )) ASSI { 2658} ( segid " A" and resid 177 and name HE% ) (( segid " A" and resid 177 and name HG1 )) 2.700 0.900 0.900 peak 2658 spectrum 1 weight 0.10000E+01 volume 0.75455E-02 ppm1 1.930 ppm2 2.290 CV 1 OR { 2658} ( segid " A" and resid 177 and name HE% ) (( segid " A" and resid 177 and name HG2 )) ASSI { 2659} (( segid " A" and resid 148 and name HA )) (( segid " A" and resid 148 and name HB )) 3.000 1.100 1.100 peak 2659 spectrum 1 weight 0.10000E+01 volume 0.44261E-02 ppm1 3.897 ppm2 2.247 CV 1 ASSI { 2660} (( segid " A" and resid 161 and name HA )) (( segid " A" and resid 161 and name HB2 )) 2.800 1.000 1.000 peak 2660 spectrum 1 weight 0.10000E+01 volume 0.10112E-01 ppm1 4.211 ppm2 2.230 CV 1 ASSI { 2661} (( segid " A" and resid 108 and name HB1 )) (( segid " A" and resid 111 and name HB2 )) 4.100 2.100 1.900 peak 2661 spectrum 1 weight 0.10000E+01 volume 0.11594E-02 ppm1 1.802 ppm2 2.260 CV 1 OR { 2661} (( segid " A" and resid 108 and name HB1 )) (( segid " A" and resid 111 and name HB1 )) ASSI { 2662} (( segid " A" and resid 139 and name HB2 )) (( segid " A" and resid 161 and name HG2 )) 2.700 0.900 0.900 peak 2662 spectrum 1 weight 0.10000E+01 volume 0.24902E-02 ppm1 1.529 ppm2 2.258 CV 1 OR { 2662} (( segid " A" and resid 139 and name HB2 )) (( segid " A" and resid 161 and name HG1 )) ASSI { 2663} (( segid " A" and resid 139 and name HB1 )) (( segid " A" and resid 161 and name HG2 )) 4.200 2.200 1.800 peak 2663 spectrum 1 weight 0.10000E+01 volume 0.27973E-02 ppm1 1.418 ppm2 2.263 CV 1 OR { 2663} (( segid " A" and resid 139 and name HB1 )) (( segid " A" and resid 161 and name HG1 )) ASSI { 2665} ( segid " A" and resid 280 and name HD1%) (( segid " A" and resid 280 and name HG )) 2.200 0.600 0.600 peak 2665 spectrum 1 weight 0.10000E+01 volume 0.12176E-01 ppm1 1.073 ppm2 2.244 CV 1 ASSI { 2666} (( segid " A" and resid 139 and name HG1 )) (( segid " A" and resid 161 and name HG2 )) 3.600 1.600 1.600 peak 2666 spectrum 1 weight 0.10000E+01 volume 0.22164E-02 ppm1 1.295 ppm2 2.266 CV 1 OR { 2666} (( segid " A" and resid 139 and name HG1 )) (( segid " A" and resid 161 and name HG1 )) ASSI { 2667} ( segid " A" and resid 148 and name HG1%) (( segid " A" and resid 148 and name HB )) 2.300 0.600 0.600 peak 2667 spectrum 1 weight 0.10000E+01 volume 0.19334E-01 ppm1 0.967 ppm2 2.247 CV 1 ASSI { 2668} ( segid " A" and resid 148 and name HG2%) (( segid " A" and resid 148 and name HB )) 2.200 0.600 0.600 peak 2668 spectrum 1 weight 0.10000E+01 volume 0.21107E-01 ppm1 0.883 ppm2 2.245 CV 1 ASSI { 2669} (( segid " A" and resid 197 and name HA )) (( segid " A" and resid 200 and name HB2 )) 2.900 1.000 1.000 peak 2669 spectrum 1 weight 0.10000E+01 volume 0.57569E-02 ppm1 3.884 ppm2 2.217 CV 1 ASSI { 2670} (( segid " A" and resid 137 and name HD1 )) (( segid " A" and resid 137 and name HG2 )) 3.000 1.100 1.100 peak 2670 spectrum 1 weight 0.10000E+01 volume 0.49879E-02 ppm1 3.506 ppm2 2.235 CV 1 ASSI { 2671} (( segid " A" and resid 136 and name HA2 )) (( segid " A" and resid 137 and name HG2 )) 5.100 3.300 0.900 peak 2671 spectrum 1 weight 0.10000E+01 volume 0.94880E-03 ppm1 4.099 ppm2 2.214 CV 1 ASSI { 2672} (( segid " A" and resid 275 and name HB2 )) (( segid " A" and resid 280 and name HG )) 3.800 1.800 1.800 peak 2672 spectrum 1 weight 0.10000E+01 volume 0.15006E-02 ppm1 2.014 ppm2 2.227 CV 1 ASSI { 2673} (( segid " A" and resid 141 and name HB )) (( segid " A" and resid 125 and name HG1 )) 3.000 1.100 1.100 peak 2673 spectrum 1 weight 0.10000E+01 volume 0.34748E-02 ppm1 1.631 ppm2 2.224 CV 1 OR { 2673} (( segid " A" and resid 141 and name HB )) (( segid " A" and resid 125 and name HG2 )) ASSI { 2674} (( segid " A" and resid 258 and name HG2 )) (( segid " A" and resid 258 and name HG1 )) 1.400 0.300 0.800 peak 2674 spectrum 1 weight 0.10000E+01 volume 0.72325E-01 ppm1 2.139 ppm2 2.227 CV 1 OR { 2674} (( segid " A" and resid 258 and name HG2 )) (( segid " A" and resid 258 and name HB1 )) ASSI { 2675} (( segid " A" and resid 236 and name HB1 )) (( segid " A" and resid 258 and name HG1 )) 4.300 2.300 1.700 peak 2675 spectrum 1 weight 0.10000E+01 volume 0.38535E-02 ppm1 1.708 ppm2 2.221 CV 1 OR { 2675} (( segid " A" and resid 236 and name HB1 )) (( segid " A" and resid 258 and name HB1 )) ASSI { 2676} ( segid " A" and resid 275 and name HD2%) (( segid " A" and resid 280 and name HG )) 4.100 2.100 1.900 peak 2676 spectrum 1 weight 0.10000E+01 volume 0.20091E-02 ppm1 0.976 ppm2 2.233 CV 1 ASSI { 2677} (( segid " A" and resid 259 and name HG1 )) (( segid " A" and resid 258 and name HB1 )) 3.300 1.300 1.300 peak 2677 spectrum 1 weight 0.10000E+01 volume 0.19026E-02 ppm1 1.578 ppm2 2.214 CV 1 ASSI { 2678} (( segid " A" and resid 259 and name HG2 )) (( segid " A" and resid 258 and name HB1 )) 3.500 1.500 1.500 peak 2678 spectrum 1 weight 0.10000E+01 volume 0.37677E-02 ppm1 1.477 ppm2 2.221 CV 1 OR { 2678} (( segid " A" and resid 234 and name HG2 )) (( segid " A" and resid 258 and name HG1 )) ASSI { 2679} ( segid " A" and resid 280 and name HD2%) (( segid " A" and resid 280 and name HG )) 2.300 0.600 0.600 peak 2679 spectrum 1 weight 0.10000E+01 volume 0.10911E-01 ppm1 0.867 ppm2 2.241 CV 1 ASSI { 2680} ( segid " A" and resid 141 and name HG2%) (( segid " A" and resid 125 and name HG1 )) 2.600 0.800 0.800 peak 2680 spectrum 1 weight 0.10000E+01 volume 0.10162E-01 ppm1 0.601 ppm2 2.229 CV 1 OR { 2680} ( segid " A" and resid 141 and name HG2%) (( segid " A" and resid 125 and name HG2 )) ASSI { 2681} ( segid " A" and resid 128 and name HG2%) (( segid " A" and resid 125 and name HG1 )) 4.100 2.100 1.900 peak 2681 spectrum 1 weight 0.10000E+01 volume 0.23629E-02 ppm1 0.544 ppm2 2.226 CV 1 OR { 2681} ( segid " A" and resid 128 and name HG2%) (( segid " A" and resid 125 and name HG2 )) OR { 2681} ( segid " A" and resid 138 and name HG2%) (( segid " A" and resid 125 and name HG1 )) OR { 2681} ( segid " A" and resid 138 and name HG2%) (( segid " A" and resid 125 and name HG2 )) OR { 2681} ( segid " A" and resid 128 and name HG2%) (( segid " A" and resid 125 and name HB1 )) ASSI { 2682} ( segid " A" and resid 141 and name HD1%) (( segid " A" and resid 125 and name HG1 )) 2.600 0.900 0.900 peak 2682 spectrum 1 weight 0.10000E+01 volume 0.75646E-02 ppm1 0.744 ppm2 2.220 CV 1 OR { 2682} ( segid " A" and resid 141 and name HD1%) (( segid " A" and resid 125 and name HG2 )) ASSI { 2683} ( segid " A" and resid 128 and name HD1%) (( segid " A" and resid 125 and name HG1 )) 5.000 3.100 1.000 peak 2683 spectrum 1 weight 0.10000E+01 volume 0.12268E-02 ppm1 0.492 ppm2 2.228 CV 1 OR { 2683} ( segid " A" and resid 128 and name HD1%) (( segid " A" and resid 143 and name HG2 )) OR { 2683} ( segid " A" and resid 128 and name HD1%) (( segid " A" and resid 125 and name HG2 )) OR { 2683} ( segid " A" and resid 128 and name HD1%) (( segid " A" and resid 125 and name HB1 )) ASSI { 2684} (( segid " A" and resid 129 and name HA )) (( segid " A" and resid 130 and name HB2 )) 4.700 2.700 1.300 peak 2684 spectrum 1 weight 0.10000E+01 volume 0.99042E-03 ppm1 3.666 ppm2 2.185 CV 1 OR { 2684} (( segid " A" and resid 129 and name HA )) (( segid " A" and resid 130 and name HB1 )) ASSI { 2685} (( segid " A" and resid 196 and name HD2 )) (( segid " A" and resid 200 and name HB2 )) 2.900 2.900 3.100 peak 2685 spectrum 1 weight 0.10000E+01 volume 0.33191E-02 ppm1 3.687 ppm2 2.190 CV 1 OR { 2685} (( segid " A" and resid 196 and name HD2 )) (( segid " A" and resid 193 and name HB1 )) ASSI { 2686} (( segid " A" and resid 199 and name HB1 )) (( segid " A" and resid 200 and name HB2 )) 4.000 2.000 2.000 peak 2686 spectrum 1 weight 0.10000E+01 volume 0.20299E-02 ppm1 2.700 ppm2 2.202 CV 1 OR { 2686} (( segid " A" and resid 199 and name HB2 )) (( segid " A" and resid 200 and name HB2 )) ASSI { 2687} (( segid " A" and resid 199 and name HB1 )) (( segid " A" and resid 200 and name HB2 )) 3.900 1.900 1.900 peak 2687 spectrum 1 weight 0.10000E+01 volume 0.18385E-02 ppm1 2.655 ppm2 2.192 CV 1 ASSI { 2688} (( segid " A" and resid 172 and name HG2 )) (( segid " A" and resid 171 and name HB1 )) 4.000 2.000 2.000 peak 2688 spectrum 1 weight 0.10000E+01 volume 0.10678E-02 ppm1 2.771 ppm2 2.189 CV 1 ASSI { 2689} (( segid " A" and resid 130 and name HG2 )) (( segid " A" and resid 130 and name HB1 )) 2.300 0.700 0.700 peak 2689 spectrum 1 weight 0.10000E+01 volume 0.19367E-01 ppm1 2.554 ppm2 2.197 CV 1 OR { 2689} (( segid " A" and resid 130 and name HG2 )) (( segid " A" and resid 130 and name HB2 )) OR { 2689} (( segid " A" and resid 200 and name HG1 )) (( segid " A" and resid 200 and name HB2 )) ASSI { 2690} ( segid " A" and resid 168 and name HD2%) (( segid " A" and resid 171 and name HB1 )) 4.900 3.000 1.100 peak 2690 spectrum 1 weight 0.10000E+01 volume 0.15505E-02 ppm1 1.022 ppm2 2.196 CV 1 OR { 2690} ( segid " A" and resid 168 and name HD2%) (( segid " A" and resid 162 and name HB )) ASSI { 2691} ( segid " A" and resid 165 and name HB% ) (( segid " A" and resid 162 and name HB )) 4.500 2.600 1.500 peak 2691 spectrum 1 weight 0.10000E+01 volume 0.18860E-02 ppm1 0.654 ppm2 2.202 CV 1 OR { 2691} ( segid " A" and resid 165 and name HB% ) (( segid " A" and resid 137 and name HG2 )) ASSI { 2692} (( segid " A" and resid 127 and name HA )) (( segid " A" and resid 130 and name HB2 )) 2.700 0.900 0.900 peak 2692 spectrum 1 weight 0.10000E+01 volume 0.63162E-02 ppm1 4.001 ppm2 2.173 CV 1 OR { 2692} (( segid " A" and resid 127 and name HA )) (( segid " A" and resid 130 and name HB1 )) ASSI { 2693} (( segid " A" and resid 164 and name HA )) (( segid " A" and resid 167 and name HG1 )) 3.900 1.900 1.900 peak 2693 spectrum 1 weight 0.10000E+01 volume 0.95962E-03 ppm1 3.315 ppm2 2.162 CV 1 OR { 2693} (( segid " A" and resid 164 and name HA )) (( segid " A" and resid 163 and name HB2 )) ASSI { 2695} (( segid " A" and resid 210 and name HA )) (( segid " A" and resid 256 and name HG2 )) 3.600 1.600 1.600 peak 2695 spectrum 1 weight 0.10000E+01 volume 0.12384E-02 ppm1 5.735 ppm2 2.173 CV 1 OR { 2695} (( segid " A" and resid 210 and name HA )) (( segid " A" and resid 256 and name HB1 )) ASSI { 2696} (( segid " A" and resid 202 and name HA )) (( segid " A" and resid 203 and name HB2 )) 3.900 1.900 1.900 peak 2696 spectrum 1 weight 0.10000E+01 volume 0.23129E-02 ppm1 3.936 ppm2 2.176 CV 1 OR { 2696} (( segid " A" and resid 202 and name HA )) (( segid " A" and resid 204 and name HB2 )) OR { 2696} (( segid " A" and resid 202 and name HA )) (( segid " A" and resid 203 and name HB1 )) ASSI { 2697} (( segid " A" and resid 206 and name HD1 )) (( segid " A" and resid 203 and name HB1 )) 3.600 1.600 1.600 peak 2697 spectrum 1 weight 0.10000E+01 volume 0.26275E-02 ppm1 3.276 ppm2 2.177 CV 1 OR { 2697} (( segid " A" and resid 206 and name HD1 )) (( segid " A" and resid 203 and name HB2 )) OR { 2697} (( segid " A" and resid 206 and name HD2 )) (( segid " A" and resid 203 and name HB1 )) ASSI { 2698} (( segid " A" and resid 108 and name HB1 )) (( segid " A" and resid 163 and name HB2 )) 4.300 2.300 1.700 peak 2698 spectrum 1 weight 0.10000E+01 volume 0.13083E-02 ppm1 1.798 ppm2 2.155 CV 1 ASSI { 2699} (( segid " A" and resid 170 and name HB1 )) (( segid " A" and resid 171 and name HB1 )) 4.500 2.500 1.500 peak 2699 spectrum 1 weight 0.10000E+01 volume 0.14964E-02 ppm1 1.573 ppm2 2.177 CV 1 ASSI { 2700} ( segid " A" and resid 127 and name HG2%) (( segid " A" and resid 130 and name HB2 )) 3.500 1.500 1.500 peak 2700 spectrum 1 weight 0.10000E+01 volume 0.28040E-02 ppm1 1.324 ppm2 2.173 CV 1 OR { 2700} ( segid " A" and resid 127 and name HG2%) (( segid " A" and resid 130 and name HB1 )) ASSI { 2701} ( segid " A" and resid 286 and name HG1%) (( segid " A" and resid 167 and name HG1 )) 2.600 0.900 0.900 peak 2701 spectrum 1 weight 0.10000E+01 volume 0.50420E-02 ppm1 0.793 ppm2 2.169 CV 1 ASSI { 2702} ( segid " A" and resid 285 and name HB% ) (( segid " A" and resid 167 and name HG1 )) 3.800 1.800 1.800 peak 2702 spectrum 1 weight 0.10000E+01 volume 0.13899E-02 ppm1 1.524 ppm2 2.166 CV 1 OR { 2702} ( segid " A" and resid 285 and name HB% ) (( segid " A" and resid 204 and name HB2 )) OR { 2702} ( segid " A" and resid 285 and name HB% ) (( segid " A" and resid 163 and name HB2 )) OR { 2702} ( segid " A" and resid 285 and name HB% ) (( segid " A" and resid 201 and name HB2 )) ASSI { 2703} ( segid " A" and resid 205 and name HB% ) (( segid " A" and resid 204 and name HB2 )) 3.500 1.600 1.600 peak 2703 spectrum 1 weight 0.10000E+01 volume 0.39242E-02 ppm1 1.154 ppm2 2.154 CV 1 OR { 2703} ( segid " A" and resid 207 and name HB% ) (( segid " A" and resid 204 and name HB2 )) OR { 2703} ( segid " A" and resid 205 and name HB% ) (( segid " A" and resid 201 and name HB2 )) ASSI { 2704} ( segid " A" and resid 202 and name HB% ) (( segid " A" and resid 203 and name HB2 )) 3.700 1.700 1.700 peak 2704 spectrum 1 weight 0.10000E+01 volume 0.53358E-02 ppm1 1.568 ppm2 2.178 CV 1 OR { 2704} ( segid " A" and resid 202 and name HB% ) (( segid " A" and resid 203 and name HB1 )) ASSI { 2705} ( segid " A" and resid 255 and name HG2%) (( segid " A" and resid 256 and name HB1 )) 4.600 2.600 1.400 peak 2705 spectrum 1 weight 0.10000E+01 volume 0.12701E-02 ppm1 0.227 ppm2 2.157 CV 1 OR { 2705} ( segid " A" and resid 255 and name HG2%) (( segid " A" and resid 256 and name HG2 )) ASSI { 2706} ( segid " A" and resid 133 and name HB% ) (( segid " A" and resid 130 and name HB1 )) 3.700 1.700 1.700 peak 2706 spectrum 1 weight 0.10000E+01 volume 0.19384E-02 ppm1 1.612 ppm2 2.174 CV 1 ASSI { 2707} ( segid " A" and resid 198 and name HG2%) (( segid " A" and resid 201 and name HB2 )) 3.400 1.400 1.400 peak 2707 spectrum 1 weight 0.10000E+01 volume 0.21090E-02 ppm1 0.932 ppm2 2.157 CV 1 ASSI { 2708} (( segid " A" and resid 287 and name HB )) (( segid " A" and resid 201 and name HB2 )) 4.200 2.200 1.800 peak 2708 spectrum 1 weight 0.10000E+01 volume 0.21290E-02 ppm1 4.212 ppm2 2.135 CV 1 OR { 2708} (( segid " A" and resid 287 and name HB )) (( segid " A" and resid 204 and name HB2 )) ASSI { 2709} (( segid " A" and resid 198 and name HA )) (( segid " A" and resid 201 and name HB2 )) 3.200 1.200 1.200 peak 2709 spectrum 1 weight 0.10000E+01 volume 0.18909E-02 ppm1 3.556 ppm2 2.133 CV 1 ASSI { 2711} (( segid " A" and resid 169 and name HA )) (( segid " A" and resid 173 and name HB2 )) 3.300 1.300 1.300 peak 2711 spectrum 1 weight 0.10000E+01 volume 0.17420E-02 ppm1 2.374 ppm2 2.149 CV 1 ASSI { 2712} (( segid " A" and resid 205 and name HA )) (( segid " A" and resid 204 and name HB2 )) 3.900 1.900 1.900 peak 2712 spectrum 1 weight 0.10000E+01 volume 0.13050E-02 ppm1 3.869 ppm2 2.128 CV 1 ASSI { 2713} (( segid " A" and resid 210 and name HG1 )) (( segid " A" and resid 256 and name HG2 )) 3.100 1.200 1.200 peak 2713 spectrum 1 weight 0.10000E+01 volume 0.29047E-02 ppm1 1.476 ppm2 2.145 CV 1 OR { 2713} (( segid " A" and resid 210 and name HG1 )) (( segid " A" and resid 256 and name HB1 )) ASSI { 2714} ( segid " A" and resid 108 and name HD2%) (( segid " A" and resid 201 and name HB2 )) 3.500 1.500 1.500 peak 2714 spectrum 1 weight 0.10000E+01 volume 0.44535E-02 ppm1 0.875 ppm2 2.133 CV 1 OR { 2714} ( segid " A" and resid 108 and name HD2%) (( segid " A" and resid 163 and name HB2 )) ASSI { 2715} ( segid " A" and resid 287 and name HG2%) (( segid " A" and resid 201 and name HB2 )) 2.900 1.000 1.000 peak 2715 spectrum 1 weight 0.10000E+01 volume 0.63070E-02 ppm1 1.086 ppm2 2.134 CV 1 OR { 2715} ( segid " A" and resid 287 and name HG2%) (( segid " A" and resid 163 and name HB2 )) ASSI { 2716} ( segid " A" and resid 286 and name HG2%) (( segid " A" and resid 163 and name HB2 )) 2.500 2.500 3.500 peak 2716 spectrum 1 weight 0.10000E+01 volume 0.61839E-02 ppm1 0.558 ppm2 2.137 CV 1 OR { 2716} ( segid " A" and resid 286 and name HG2%) (( segid " A" and resid 201 and name HB2 )) ASSI { 2717} ( segid " A" and resid 197 and name HG2%) (( segid " A" and resid 201 and name HB2 )) 3.500 1.500 1.500 peak 2717 spectrum 1 weight 0.10000E+01 volume 0.48747E-02 ppm1 0.881 ppm2 2.135 CV 1 ASSI { 2719} (( segid " A" and resid 185 and name HA )) (( segid " A" and resid 114 and name HB )) 3.300 3.300 2.700 peak 2719 spectrum 1 weight 0.10000E+01 volume 0.91301E-03 ppm1 5.368 ppm2 2.104 CV 1 OR { 2719} (( segid " A" and resid 282 and name HA )) (( segid " A" and resid 264 and name HB1 )) ASSI { 2720} (( segid " A" and resid 163 and name HB1 )) (( segid " A" and resid 163 and name HB2 )) 1.700 0.400 0.500 peak 2720 spectrum 1 weight 0.10000E+01 volume 0.15505E-01 ppm1 1.698 ppm2 2.120 CV 1 ASSI { 2721} ( segid " A" and resid 173 and name HE% ) (( segid " A" and resid 173 and name HB2 )) 2.900 1.000 1.000 peak 2721 spectrum 1 weight 0.10000E+01 volume 0.68181E-02 ppm1 1.394 ppm2 2.122 CV 1 ASSI { 2722} ( segid " A" and resid 235 and name HD1%) (( segid " A" and resid 230 and name HB2 )) 2.400 0.700 0.700 peak 2722 spectrum 1 weight 0.10000E+01 volume 0.45002E-02 ppm1 0.701 ppm2 2.098 CV 1 ASSI { 2723} (( segid " A" and resid 176 and name HA )) (( segid " A" and resid 176 and name HB )) 2.600 0.800 0.800 peak 2723 spectrum 1 weight 0.10000E+01 volume 0.62879E-02 ppm1 4.055 ppm2 2.074 CV 1 ASSI { 2724} (( segid " A" and resid 225 and name HA )) (( segid " A" and resid 228 and name HB )) 2.800 1.000 1.000 peak 2724 spectrum 1 weight 0.10000E+01 volume 0.31011E-02 ppm1 3.942 ppm2 2.094 CV 1 ASSI { 2725} (( segid " A" and resid 229 and name HB2 )) (( segid " A" and resid 228 and name HB )) 4.800 2.900 1.200 peak 2725 spectrum 1 weight 0.10000E+01 volume 0.81980E-03 ppm1 2.828 ppm2 2.091 CV 1 OR { 2725} (( segid " A" and resid 229 and name HB2 )) (( segid " A" and resid 230 and name HB2 )) ASSI { 2726} (( segid " A" and resid 158 and name HB )) (( segid " A" and resid 114 and name HB )) 4.100 2.100 1.900 peak 2726 spectrum 1 weight 0.10000E+01 volume 0.29122E-02 ppm1 1.437 ppm2 2.094 CV 1 ASSI { 2727} ( segid " A" and resid 245 and name HG2%) (( segid " A" and resid 244 and name HG2 )) 2.800 1.000 1.000 peak 2727 spectrum 1 weight 0.10000E+01 volume 0.45268E-02 ppm1 1.240 ppm2 2.071 CV 1 ASSI { 2728} ( segid " A" and resid 176 and name HG1%) (( segid " A" and resid 176 and name HB )) 2.200 0.600 0.600 peak 2728 spectrum 1 weight 0.10000E+01 volume 0.18002E-01 ppm1 1.027 ppm2 2.075 CV 1 ASSI { 2729} ( segid " A" and resid 116 and name HG1%) (( segid " A" and resid 114 and name HB )) 4.600 2.700 1.400 peak 2729 spectrum 1 weight 0.10000E+01 volume 0.15222E-02 ppm1 0.293 ppm2 2.083 CV 1 ASSI { 2730} ( segid " A" and resid 158 and name HG1%) (( segid " A" and resid 114 and name HB )) 4.100 2.100 1.900 peak 2730 spectrum 1 weight 0.10000E+01 volume 0.20566E-02 ppm1 0.133 ppm2 2.068 CV 1 OR { 2730} ( segid " A" and resid 158 and name HG1%) (( segid " A" and resid 159 and name HB2 )) ASSI { 2731} ( segid " A" and resid 158 and name HG2%) (( segid " A" and resid 114 and name HB )) 4.700 2.800 1.300 peak 2731 spectrum 1 weight 0.10000E+01 volume 0.20491E-02 ppm1 0.036 ppm2 2.076 CV 1 ASSI { 2732} ( segid " A" and resid 270 and name HE% ) (( segid " A" and resid 228 and name HB )) 2.700 0.900 0.900 peak 2732 spectrum 1 weight 0.10000E+01 volume 0.52825E-02 ppm1 0.597 ppm2 2.083 CV 1 ASSI { 2733} (( segid " A" and resid 266 and name HA )) (( segid " A" and resid 267 and name HB )) 4.500 2.500 1.500 peak 2733 spectrum 1 weight 0.10000E+01 volume 0.13017E-02 ppm1 2.331 ppm2 2.048 CV 1 ASSI { 2734} (( segid " A" and resid 165 and name HA )) (( segid " A" and resid 171 and name HB2 )) 5.100 3.200 0.900 peak 2734 spectrum 1 weight 0.10000E+01 volume 0.72076E-03 ppm1 3.650 ppm2 2.046 CV 1 OR { 2734} (( segid " A" and resid 165 and name HA )) (( segid " A" and resid 134 and name HB2 )) ASSI { 2736} (( segid " A" and resid 157 and name HB1 )) (( segid " A" and resid 159 and name HB2 )) 3.000 3.000 3.000 peak 2736 spectrum 1 weight 0.10000E+01 volume 0.44128E-02 ppm1 2.945 ppm2 2.044 CV 1 OR { 2736} (( segid " A" and resid 157 and name HB1 )) (( segid " A" and resid 159 and name HG1 )) OR { 2736} (( segid " A" and resid 157 and name HB1 )) (( segid " A" and resid 159 and name HG2 )) ASSI { 2737} (( segid " A" and resid 157 and name HB2 )) (( segid " A" and resid 159 and name HB2 )) 4.000 2.000 2.000 peak 2737 spectrum 1 weight 0.10000E+01 volume 0.96046E-03 ppm1 2.740 ppm2 2.055 CV 1 OR { 2737} (( segid " A" and resid 157 and name HB2 )) (( segid " A" and resid 159 and name HG1 )) OR { 2737} (( segid " A" and resid 157 and name HB2 )) (( segid " A" and resid 159 and name HG2 )) ASSI { 2738} (( segid " A" and resid 170 and name HB1 )) (( segid " A" and resid 171 and name HB2 )) 3.800 1.800 1.800 peak 2738 spectrum 1 weight 0.10000E+01 volume 0.20566E-02 ppm1 1.573 ppm2 2.048 CV 1 ASSI { 2739} (( segid " A" and resid 172 and name HG2 )) (( segid " A" and resid 171 and name HB2 )) 4.700 2.700 1.300 peak 2739 spectrum 1 weight 0.10000E+01 volume 0.10212E-02 ppm1 2.772 ppm2 2.051 CV 1 ASSI { 2740} ( segid " A" and resid 266 and name HB% ) (( segid " A" and resid 267 and name HB )) 4.100 2.100 1.900 peak 2740 spectrum 1 weight 0.10000E+01 volume 0.27174E-02 ppm1 1.338 ppm2 2.053 CV 1 ASSI { 2742} (( segid " A" and resid 134 and name HA )) (( segid " A" and resid 134 and name HB2 )) 3.200 1.300 1.300 peak 2742 spectrum 1 weight 0.10000E+01 volume 0.53757E-02 ppm1 4.042 ppm2 2.025 CV 1 ASSI { 2743} (( segid " A" and resid 140 and name HB1 )) (( segid " A" and resid 159 and name HB2 )) 3.800 1.800 1.800 peak 2743 spectrum 1 weight 0.10000E+01 volume 0.17087E-02 ppm1 3.760 ppm2 2.031 CV 1 OR { 2743} (( segid " A" and resid 140 and name HB1 )) (( segid " A" and resid 159 and name HG2 )) OR { 2743} (( segid " A" and resid 140 and name HB1 )) (( segid " A" and resid 159 and name HG1 )) ASSI { 2744} (( segid " A" and resid 140 and name HB2 )) (( segid " A" and resid 159 and name HB2 )) 4.600 2.600 1.400 peak 2744 spectrum 1 weight 0.10000E+01 volume 0.14964E-02 ppm1 3.690 ppm2 2.028 CV 1 OR { 2744} (( segid " A" and resid 140 and name HB2 )) (( segid " A" and resid 159 and name HG2 )) OR { 2744} (( segid " A" and resid 140 and name HB2 )) (( segid " A" and resid 159 and name HG1 )) OR { 2744} (( segid " A" and resid 110 and name HA )) (( segid " A" and resid 159 and name HG1 )) ASSI { 2745} (( segid " A" and resid 113 and name HA )) (( segid " A" and resid 159 and name HB2 )) 3.800 1.800 1.800 peak 2745 spectrum 1 weight 0.10000E+01 volume 0.22022E-02 ppm1 5.375 ppm2 2.033 CV 1 ASSI { 2746} (( segid " A" and resid 205 and name HA )) (( segid " A" and resid 288 and name HB1 )) 3.600 1.600 1.600 peak 2746 spectrum 1 weight 0.10000E+01 volume 0.11477E-02 ppm1 3.865 ppm2 2.024 CV 1 OR { 2746} (( segid " A" and resid 205 and name HA )) (( segid " A" and resid 206 and name HG1 )) ASSI { 2747} (( segid " A" and resid 159 and name HA )) (( segid " A" and resid 159 and name HB2 )) 2.700 0.900 0.900 peak 2747 spectrum 1 weight 0.10000E+01 volume 0.41523E-02 ppm1 5.020 ppm2 2.034 CV 1 OR { 2747} (( segid " A" and resid 159 and name HA )) (( segid " A" and resid 159 and name HG1 )) OR { 2747} (( segid " A" and resid 159 and name HA )) (( segid " A" and resid 159 and name HG2 )) ASSI { 2748} (( segid " A" and resid 134 and name HD1 )) (( segid " A" and resid 134 and name HB2 )) 4.400 2.500 1.600 peak 2748 spectrum 1 weight 0.10000E+01 volume 0.12068E-02 ppm1 3.727 ppm2 2.016 CV 1 ASSI { 2750} (( segid " A" and resid 159 and name HB1 )) (( segid " A" and resid 159 and name HB2 )) 1.900 0.400 0.400 peak 2750 spectrum 1 weight 0.10000E+01 volume 0.19068E-01 ppm1 1.694 ppm2 2.023 CV 1 OR { 2750} (( segid " A" and resid 159 and name HB1 )) (( segid " A" and resid 159 and name HG2 )) OR { 2750} (( segid " A" and resid 159 and name HB1 )) (( segid " A" and resid 159 and name HG1 )) ASSI { 2751} (( segid " A" and resid 134 and name HB1 )) (( segid " A" and resid 134 and name HB2 )) 2.200 0.600 0.600 peak 2751 spectrum 1 weight 0.10000E+01 volume 0.51618E-02 ppm1 0.264 ppm2 2.023 CV 1 ASSI { 2752} (( segid " A" and resid 112 and name HB1 )) (( segid " A" and resid 159 and name HG1 )) 4.200 2.300 1.800 peak 2752 spectrum 1 weight 0.10000E+01 volume 0.67581E-03 ppm1 3.584 ppm2 2.016 CV 1 OR { 2752} (( segid " A" and resid 112 and name HB1 )) (( segid " A" and resid 159 and name HG2 )) OR { 2752} (( segid " A" and resid 112 and name HB1 )) (( segid " A" and resid 159 and name HB2 )) ASSI { 2753} (( segid " A" and resid 113 and name HG1 )) (( segid " A" and resid 159 and name HB2 )) 3.800 1.800 1.800 peak 2753 spectrum 1 weight 0.10000E+01 volume 0.40940E-02 ppm1 1.392 ppm2 2.029 CV 1 ASSI { 2754} (( segid " A" and resid 139 and name HG1 )) (( segid " A" and resid 159 and name HG2 )) 4.500 2.500 1.500 peak 2754 spectrum 1 weight 0.10000E+01 volume 0.18768E-02 ppm1 1.289 ppm2 2.027 CV 1 OR { 2754} (( segid " A" and resid 139 and name HG1 )) (( segid " A" and resid 159 and name HG1 )) ASSI { 2755} ( segid " A" and resid 239 and name HG2%) (( segid " A" and resid 226 and name HB2 )) 3.000 3.000 3.000 peak 2755 spectrum 1 weight 0.10000E+01 volume 0.27507E-02 ppm1 1.178 ppm2 2.025 CV 1 OR { 2755} ( segid " A" and resid 246 and name HG2%) (( segid " A" and resid 244 and name HB2 )) ASSI { 2756} ( segid " A" and resid 183 and name HD1%) (( segid " A" and resid 183 and name HB )) 2.400 0.700 0.700 peak 2756 spectrum 1 weight 0.10000E+01 volume 0.90802E-02 ppm1 0.869 ppm2 2.017 CV 1 ASSI { 2757} (( segid " A" and resid 127 and name HB )) (( segid " A" and resid 128 and name HB )) 4.700 2.800 1.300 peak 2757 spectrum 1 weight 0.10000E+01 volume 0.11644E-02 ppm1 4.173 ppm2 1.988 CV 1 ASSI { 2758} (( segid " A" and resid 163 and name HA )) (( segid " A" and resid 163 and name HG1 )) 4.000 2.000 2.000 peak 2758 spectrum 1 weight 0.10000E+01 volume 0.21922E-02 ppm1 4.142 ppm2 1.988 CV 1 OR { 2758} (( segid " A" and resid 163 and name HA )) ( segid " A" and resid 111 and name HE% ) ASSI { 2759} (( segid " A" and resid 223 and name HA )) (( segid " A" and resid 226 and name HB2 )) 3.300 1.400 1.400 peak 2759 spectrum 1 weight 0.10000E+01 volume 0.34232E-02 ppm1 4.400 ppm2 2.011 CV 1 ASSI { 2760} (( segid " A" and resid 107 and name HA )) (( segid " A" and resid 197 and name HB )) 3.800 1.800 1.800 peak 2760 spectrum 1 weight 0.10000E+01 volume 0.25435E-02 ppm1 3.941 ppm2 1.982 CV 1 OR { 2760} (( segid " A" and resid 202 and name HA )) (( segid " A" and resid 206 and name HG1 )) OR { 2760} (( segid " A" and resid 107 and name HA )) (( segid " A" and resid 198 and name HB )) OR { 2760} (( segid " A" and resid 202 and name HA )) ( segid " A" and resid 111 and name HE% ) ASSI { 2761} (( segid " A" and resid 207 and name HA )) (( segid " A" and resid 206 and name HB2 )) 3.600 1.600 1.600 peak 2761 spectrum 1 weight 0.10000E+01 volume 0.19051E-02 ppm1 4.122 ppm2 1.995 CV 1 OR { 2761} (( segid " A" and resid 207 and name HA )) (( segid " A" and resid 206 and name HB1 )) ASSI { 2762} (( segid " A" and resid 224 and name HB2 )) (( segid " A" and resid 220 and name HB1 )) 3.900 1.900 1.900 peak 2762 spectrum 1 weight 0.10000E+01 volume 0.10279E-02 ppm1 2.687 ppm2 1.994 CV 1 OR { 2762} (( segid " A" and resid 224 and name HB2 )) (( segid " A" and resid 226 and name HB1 )) ASSI { 2763} (( segid " A" and resid 255 and name HB )) (( segid " A" and resid 211 and name HB )) 4.800 2.900 1.200 peak 2763 spectrum 1 weight 0.10000E+01 volume 0.93715E-03 ppm1 1.227 ppm2 1.984 CV 1 OR { 2763} (( segid " A" and resid 255 and name HB )) (( segid " A" and resid 235 and name HG12)) ASSI { 2764} (( segid " A" and resid 130 and name HG2 )) (( segid " A" and resid 129 and name HB2 )) 3.600 3.600 2.400 peak 2764 spectrum 1 weight 0.10000E+01 volume 0.12451E-02 ppm1 2.546 ppm2 1.982 CV 1 OR { 2764} (( segid " A" and resid 200 and name HG1 )) (( segid " A" and resid 206 and name HG1 )) OR { 2764} (( segid " A" and resid 200 and name HG1 )) (( segid " A" and resid 288 and name HB1 )) OR { 2764} (( segid " A" and resid 200 and name HG1 )) ( segid " A" and resid 111 and name HE% ) OR { 2764} (( segid " A" and resid 200 and name HG1 )) (( segid " A" and resid 206 and name HB2 )) OR { 2764} (( segid " A" and resid 200 and name HG1 )) (( segid " A" and resid 206 and name HB1 )) ASSI { 2765} (( segid " A" and resid 111 and name HG2 )) ( segid " A" and resid 111 and name HE% ) 3.700 1.700 1.700 peak 2765 spectrum 1 weight 0.10000E+01 volume 0.15555E-02 ppm1 2.606 ppm2 1.982 CV 1 OR { 2765} (( segid " A" and resid 111 and name HG1 )) ( segid " A" and resid 111 and name HE% ) ASSI { 2767} (( segid " A" and resid 128 and name HG12)) (( segid " A" and resid 128 and name HB )) 2.500 0.800 0.800 peak 2767 spectrum 1 weight 0.10000E+01 volume 0.46941E-02 ppm1 1.210 ppm2 1.999 CV 1 OR { 2767} (( segid " A" and resid 128 and name HG11)) (( segid " A" and resid 128 and name HB )) ASSI { 2768} ( segid " A" and resid 108 and name HD2%) (( segid " A" and resid 163 and name HG1 )) 2.300 0.700 0.700 peak 2768 spectrum 1 weight 0.10000E+01 volume 0.10736E-01 ppm1 0.875 ppm2 1.979 CV 1 OR { 2768} ( segid " A" and resid 108 and name HD2%) ( segid " A" and resid 111 and name HE% ) ASSI { 2769} ( segid " A" and resid 213 and name HG1%) (( segid " A" and resid 270 and name HB2 )) 3.600 1.600 1.600 peak 2769 spectrum 1 weight 0.10000E+01 volume 0.29263E-02 ppm1 0.382 ppm2 1.996 CV 1 OR { 2769} ( segid " A" and resid 213 and name HG1%) (( segid " A" and resid 211 and name HB )) OR { 2769} ( segid " A" and resid 216 and name HG2%) (( segid " A" and resid 220 and name HB1 )) ASSI { 2770} ( segid " A" and resid 285 and name HB% ) (( segid " A" and resid 284 and name HB2 )) 3.400 1.400 1.400 peak 2770 spectrum 1 weight 0.10000E+01 volume 0.31152E-02 ppm1 1.523 ppm2 1.986 CV 1 OR { 2770} ( segid " A" and resid 285 and name HB% ) (( segid " A" and resid 288 and name HB1 )) OR { 2770} ( segid " A" and resid 285 and name HB% ) (( segid " A" and resid 211 and name HB )) OR { 2770} ( segid " A" and resid 285 and name HB% ) (( segid " A" and resid 167 and name HB2 )) ASSI { 2771} ( segid " A" and resid 266 and name HB% ) (( segid " A" and resid 270 and name HB2 )) 3.800 1.800 1.800 peak 2771 spectrum 1 weight 0.10000E+01 volume 0.25568E-02 ppm1 1.336 ppm2 1.995 CV 1 ASSI { 2772} ( segid " A" and resid 162 and name HG2%) (( segid " A" and resid 161 and name HB1 )) 3.900 1.900 1.900 peak 2772 spectrum 1 weight 0.10000E+01 volume 0.44802E-02 ppm1 0.761 ppm2 1.982 CV 1 OR { 2772} ( segid " A" and resid 162 and name HG2%) (( segid " A" and resid 163 and name HG1 )) ASSI { 2773} ( segid " A" and resid 165 and name HB% ) (( segid " A" and resid 161 and name HB1 )) 4.600 2.700 1.400 peak 2773 spectrum 1 weight 0.10000E+01 volume 0.10578E-02 ppm1 0.655 ppm2 1.979 CV 1 OR { 2773} ( segid " A" and resid 165 and name HB% ) (( segid " A" and resid 167 and name HB2 )) OR { 2773} ( segid " A" and resid 165 and name HB% ) (( segid " A" and resid 167 and name HB1 )) ASSI { 2774} ( segid " A" and resid 107 and name HB% ) (( segid " A" and resid 197 and name HB )) 2.200 0.600 0.600 peak 2774 spectrum 1 weight 0.10000E+01 volume 0.10404E-01 ppm1 1.481 ppm2 1.990 CV 1 OR { 2774} ( segid " A" and resid 166 and name HB% ) (( segid " A" and resid 167 and name HB2 )) ASSI { 2775} ( segid " A" and resid 205 and name HB% ) (( segid " A" and resid 206 and name HG1 )) 3.000 1.100 1.100 peak 2775 spectrum 1 weight 0.10000E+01 volume 0.81888E-02 ppm1 1.153 ppm2 1.999 CV 1 OR { 2775} ( segid " A" and resid 207 and name HB% ) (( segid " A" and resid 206 and name HB2 )) OR { 2775} ( segid " A" and resid 205 and name HB% ) (( segid " A" and resid 206 and name HB2 )) OR { 2775} ( segid " A" and resid 205 and name HB% ) (( segid " A" and resid 288 and name HB1 )) OR { 2775} ( segid " A" and resid 205 and name HB% ) (( segid " A" and resid 206 and name HB1 )) ASSI { 2776} ( segid " A" and resid 202 and name HB% ) (( segid " A" and resid 206 and name HG1 )) 3.300 1.400 1.400 peak 2776 spectrum 1 weight 0.10000E+01 volume 0.26408E-02 ppm1 1.569 ppm2 1.985 CV 1 OR { 2776} ( segid " A" and resid 202 and name HB% ) (( segid " A" and resid 206 and name HB2 )) OR { 2776} ( segid " A" and resid 202 and name HB% ) (( segid " A" and resid 206 and name HB1 )) ASSI { 2777} ( segid " A" and resid 270 and name HE% ) (( segid " A" and resid 270 and name HB2 )) 3.600 1.600 1.600 peak 2777 spectrum 1 weight 0.10000E+01 volume 0.64302E-02 ppm1 0.598 ppm2 1.980 CV 1 ASSI { 2778} ( segid " A" and resid 255 and name HD1%) (( segid " A" and resid 235 and name HG12)) 3.000 1.100 1.100 peak 2778 spectrum 1 weight 0.10000E+01 volume 0.14274E-02 ppm1 -0.132 ppm2 1.981 CV 1 OR { 2778} ( segid " A" and resid 255 and name HD1%) (( segid " A" and resid 226 and name HB1 )) OR { 2778} ( segid " A" and resid 255 and name HD1%) (( segid " A" and resid 211 and name HB )) ASSI { 2779} ( segid " A" and resid 225 and name HD1%) (( segid " A" and resid 220 and name HB1 )) 3.200 1.300 1.300 peak 2779 spectrum 1 weight 0.10000E+01 volume 0.20857E-02 ppm1 0.634 ppm2 1.994 CV 1 OR { 2779} ( segid " A" and resid 225 and name HD1%) (( segid " A" and resid 275 and name HB2 )) ASSI { 2781} (( segid " A" and resid 235 and name HB )) (( segid " A" and resid 235 and name HG12)) 2.900 1.100 1.100 peak 2781 spectrum 1 weight 0.10000E+01 volume 0.47806E-02 ppm1 1.643 ppm2 1.953 CV 1 ASSI { 2782} (( segid " A" and resid 230 and name HG2 )) (( segid " A" and resid 235 and name HG12)) 4.600 2.700 1.400 peak 2782 spectrum 1 weight 0.10000E+01 volume 0.20924E-02 ppm1 2.541 ppm2 1.975 CV 1 OR { 2782} (( segid " A" and resid 230 and name HG1 )) (( segid " A" and resid 235 and name HG12)) OR { 2782} (( segid " A" and resid 279 and name HB1 )) (( segid " A" and resid 278 and name HB1 )) ASSI { 2783} (( segid " A" and resid 258 and name HG1 )) (( segid " A" and resid 258 and name HB2 )) 1.800 1.800 4.200 peak 2783 spectrum 1 weight 0.10000E+01 volume 0.32908E-01 ppm1 2.236 ppm2 1.969 CV 1 ASSI { 2784} (( segid " A" and resid 258 and name HG2 )) (( segid " A" and resid 258 and name HB2 )) 2.600 0.800 0.800 peak 2784 spectrum 1 weight 0.10000E+01 volume 0.16687E-01 ppm1 2.137 ppm2 1.966 CV 1 ASSI { 2786} ( segid " A" and resid 201 and name HD1%) ( segid " A" and resid 111 and name HE% ) 2.700 0.900 0.900 peak 2786 spectrum 1 weight 0.10000E+01 volume 0.78959E-02 ppm1 0.797 ppm2 1.965 CV 1 ASSI { 2787} ( segid " A" and resid 255 and name HG2%) (( segid " A" and resid 235 and name HG12)) 2.900 1.000 1.000 peak 2787 spectrum 1 weight 0.10000E+01 volume 0.36354E-02 ppm1 0.228 ppm2 1.964 CV 1 OR { 2787} ( segid " A" and resid 255 and name HG2%) (( segid " A" and resid 211 and name HB )) ASSI { 2788} ( segid " A" and resid 235 and name HD1%) (( segid " A" and resid 235 and name HG12)) 2.100 0.500 0.500 peak 2788 spectrum 1 weight 0.10000E+01 volume 0.10487E-01 ppm1 0.702 ppm2 1.966 CV 1 ASSI { 2790} (( segid " A" and resid 129 and name HA )) (( segid " A" and resid 129 and name HB2 )) 2.400 0.700 0.700 peak 2790 spectrum 1 weight 0.10000E+01 volume 0.52159E-02 ppm1 3.672 ppm2 1.949 CV 1 ASSI { 2791} (( segid " A" and resid 170 and name HA )) (( segid " A" and resid 173 and name HB1 )) 2.700 2.700 3.300 peak 2791 spectrum 1 weight 0.10000E+01 volume 0.62222E-02 ppm1 3.727 ppm2 1.929 CV 1 ASSI { 2792} (( segid " A" and resid 169 and name HA )) (( segid " A" and resid 173 and name HB1 )) 3.500 1.600 1.600 peak 2792 spectrum 1 weight 0.10000E+01 volume 0.30586E-02 ppm1 2.379 ppm2 1.921 CV 1 ASSI { 2794} (( segid " A" and resid 177 and name HG2 )) (( segid " A" and resid 177 and name HB1 )) 1.600 0.300 0.600 peak 2794 spectrum 1 weight 0.10000E+01 volume 0.77569E-01 ppm1 2.277 ppm2 1.941 CV 1 OR { 2794} (( segid " A" and resid 177 and name HG2 )) ( segid " A" and resid 177 and name HE% ) ASSI { 2795} ( segid " A" and resid 127 and name HG2%) (( segid " A" and resid 123 and name HB2 )) 4.200 2.200 1.800 peak 2795 spectrum 1 weight 0.10000E+01 volume 0.23063E-02 ppm1 1.325 ppm2 1.931 CV 1 OR { 2795} ( segid " A" and resid 127 and name HG2%) ( segid " A" and resid 177 and name HE% ) ASSI { 2796} ( segid " A" and resid 176 and name HG2%) ( segid " A" and resid 177 and name HE% ) 3.700 1.700 1.700 peak 2796 spectrum 1 weight 0.10000E+01 volume 0.41922E-02 ppm1 0.898 ppm2 1.923 CV 1 OR { 2796} ( segid " A" and resid 114 and name HG1%) (( segid " A" and resid 185 and name HB )) OR { 2796} ( segid " A" and resid 176 and name HG2%) (( segid " A" and resid 177 and name HB1 )) OR { 2796} ( segid " A" and resid 114 and name HG1%) (( segid " A" and resid 138 and name HG12)) ASSI { 2797} ( segid " A" and resid 158 and name HG2%) (( segid " A" and resid 138 and name HG12)) 4.000 2.000 2.000 peak 2797 spectrum 1 weight 0.10000E+01 volume 0.11028E-02 ppm1 0.035 ppm2 1.925 CV 1 ASSI { 2798} ( segid " A" and resid 173 and name HE% ) (( segid " A" and resid 173 and name HB1 )) 2.300 0.600 0.600 peak 2798 spectrum 1 weight 0.10000E+01 volume 0.12484E-01 ppm1 1.395 ppm2 1.931 CV 1 ASSI { 2800} (( segid " A" and resid 174 and name HB1 )) (( segid " A" and resid 185 and name HB )) 3.700 3.700 2.300 peak 2800 spectrum 1 weight 0.10000E+01 volume 0.21922E-02 ppm1 2.878 ppm2 1.895 CV 1 ASSI { 2801} (( segid " A" and resid 138 and name HG11)) (( segid " A" and resid 138 and name HG12)) 1.800 0.400 0.400 peak 2801 spectrum 1 weight 0.10000E+01 volume 0.63545E-02 ppm1 0.325 ppm2 1.913 CV 1 ASSI { 2802} ( segid " A" and resid 185 and name HG2%) (( segid " A" and resid 185 and name HB )) 2.000 0.500 0.500 peak 2802 spectrum 1 weight 0.10000E+01 volume 0.28938E-01 ppm1 1.001 ppm2 1.902 CV 1 OR { 2802} ( segid " A" and resid 185 and name HG1%) (( segid " A" and resid 185 and name HB )) ASSI { 2803} ( segid " A" and resid 116 and name HG1%) (( segid " A" and resid 185 and name HB )) 4.500 2.600 1.500 peak 2803 spectrum 1 weight 0.10000E+01 volume 0.11394E-02 ppm1 0.290 ppm2 1.911 CV 1 OR { 2803} ( segid " A" and resid 116 and name HG1%) (( segid " A" and resid 177 and name HB1 )) OR { 2803} ( segid " A" and resid 116 and name HG1%) ( segid " A" and resid 177 and name HE% ) OR { 2803} ( segid " A" and resid 116 and name HG1%) (( segid " A" and resid 173 and name HB1 )) ASSI { 2804} ( segid " A" and resid 158 and name HG1%) (( segid " A" and resid 138 and name HG12)) 2.900 1.000 1.000 peak 2804 spectrum 1 weight 0.10000E+01 volume 0.25035E-02 ppm1 0.129 ppm2 1.911 CV 1 ASSI { 2805} ( segid " A" and resid 169 and name HB% ) (( segid " A" and resid 168 and name HG )) 3.400 1.500 1.500 peak 2805 spectrum 1 weight 0.10000E+01 volume 0.41456E-02 ppm1 1.349 ppm2 1.902 CV 1 ASSI { 2807} (( segid " A" and resid 287 and name HB )) (( segid " A" and resid 163 and name HG2 )) 3.800 1.800 1.800 peak 2807 spectrum 1 weight 0.10000E+01 volume 0.20466E-02 ppm1 4.211 ppm2 1.884 CV 1 OR { 2807} (( segid " A" and resid 287 and name HB )) (( segid " A" and resid 288 and name HB2 )) ASSI { 2808} (( segid " A" and resid 198 and name HA )) (( segid " A" and resid 201 and name HG )) 3.500 1.600 1.600 peak 2808 spectrum 1 weight 0.10000E+01 volume 0.12834E-02 ppm1 3.553 ppm2 1.883 CV 1 ASSI { 2809} (( segid " A" and resid 163 and name HA )) (( segid " A" and resid 163 and name HG2 )) 3.800 1.800 1.800 peak 2809 spectrum 1 weight 0.10000E+01 volume 0.20624E-02 ppm1 4.142 ppm2 1.878 CV 1 ASSI { 2810} (( segid " A" and resid 269 and name HB1 )) (( segid " A" and resid 270 and name HG2 )) 3.900 1.900 1.900 peak 2810 spectrum 1 weight 0.10000E+01 volume 0.21190E-02 ppm1 3.750 ppm2 1.864 CV 1 OR { 2810} (( segid " A" and resid 269 and name HB1 )) (( segid " A" and resid 270 and name HB1 )) ASSI { 2811} (( segid " A" and resid 269 and name HB2 )) (( segid " A" and resid 270 and name HG2 )) 3.600 1.600 1.600 peak 2811 spectrum 1 weight 0.10000E+01 volume 0.14257E-02 ppm1 3.497 ppm2 1.864 CV 1 OR { 2811} (( segid " A" and resid 269 and name HB2 )) (( segid " A" and resid 270 and name HB1 )) ASSI { 2812} (( segid " A" and resid 191 and name HA )) (( segid " A" and resid 191 and name HB )) 2.500 0.800 0.800 peak 2812 spectrum 1 weight 0.10000E+01 volume 0.93049E-02 ppm1 4.026 ppm2 1.888 CV 1 ASSI { 2813} (( segid " A" and resid 204 and name HA )) (( segid " A" and resid 288 and name HB2 )) 3.300 3.300 2.700 peak 2813 spectrum 1 weight 0.10000E+01 volume 0.17411E-01 ppm1 4.074 ppm2 1.883 CV 1 OR { 2813} (( segid " A" and resid 204 and name HA )) (( segid " A" and resid 201 and name HG )) ASSI { 2814} (( segid " A" and resid 107 and name HA )) (( segid " A" and resid 110 and name HB )) 2.600 0.900 0.900 peak 2814 spectrum 1 weight 0.10000E+01 volume 0.67706E-02 ppm1 3.942 ppm2 1.880 CV 1 ASSI { 2815} (( segid " A" and resid 205 and name HA )) (( segid " A" and resid 288 and name HB2 )) 3.900 1.900 1.900 peak 2815 spectrum 1 weight 0.10000E+01 volume 0.29263E-02 ppm1 3.869 ppm2 1.879 CV 1 ASSI { 2816} (( segid " A" and resid 165 and name HA )) (( segid " A" and resid 168 and name HB2 )) 3.900 1.900 1.900 peak 2816 spectrum 1 weight 0.10000E+01 volume 0.24902E-02 ppm1 3.653 ppm2 1.878 CV 1 ASSI { 2817} (( segid " A" and resid 174 and name HB2 )) (( segid " A" and resid 185 and name HB )) 3.400 1.500 1.500 peak 2817 spectrum 1 weight 0.10000E+01 volume 0.25268E-02 ppm1 2.969 ppm2 1.882 CV 1 ASSI { 2818} (( segid " A" and resid 135 and name HB1 )) (( segid " A" and resid 168 and name HG )) 3.400 1.400 1.400 peak 2818 spectrum 1 weight 0.10000E+01 volume 0.81730E-03 ppm1 3.469 ppm2 1.869 CV 1 OR { 2818} (( segid " A" and resid 135 and name HB1 )) (( segid " A" and resid 168 and name HB2 )) ASSI { 2820} ( segid " A" and resid 216 and name HG1%) (( segid " A" and resid 225 and name HB )) 4.200 2.200 1.800 peak 2820 spectrum 1 weight 0.10000E+01 volume 0.27074E-02 ppm1 0.672 ppm2 1.883 CV 1 ASSI { 2821} ( segid " A" and resid 213 and name HG1%) (( segid " A" and resid 270 and name HB1 )) 4.100 2.100 1.900 peak 2821 spectrum 1 weight 0.10000E+01 volume 0.23629E-02 ppm1 0.382 ppm2 1.867 CV 1 OR { 2821} ( segid " A" and resid 213 and name HG1%) (( segid " A" and resid 270 and name HG2 )) OR { 2821} ( segid " A" and resid 213 and name HG1%) (( segid " A" and resid 225 and name HB )) ASSI { 2822} ( segid " A" and resid 240 and name HD2%) (( segid " A" and resid 225 and name HB )) 3.300 1.300 1.300 peak 2822 spectrum 1 weight 0.10000E+01 volume 0.24061E-02 ppm1 0.111 ppm2 1.886 CV 1 ASSI { 2823} ( segid " A" and resid 285 and name HB% ) (( segid " A" and resid 210 and name HB2 )) 3.300 1.300 1.300 peak 2823 spectrum 1 weight 0.10000E+01 volume 0.62596E-02 ppm1 1.525 ppm2 1.869 CV 1 OR { 2823} ( segid " A" and resid 285 and name HB% ) (( segid " A" and resid 284 and name HB1 )) ASSI { 2824} ( segid " A" and resid 205 and name HB% ) (( segid " A" and resid 288 and name HB2 )) 3.700 1.700 1.700 peak 2824 spectrum 1 weight 0.10000E+01 volume 0.39900E-02 ppm1 1.153 ppm2 1.885 CV 1 OR { 2824} ( segid " A" and resid 207 and name HB% ) (( segid " A" and resid 288 and name HB2 )) OR { 2824} ( segid " A" and resid 205 and name HB% ) (( segid " A" and resid 210 and name HB2 )) ASSI { 2825} (( segid " A" and resid 266 and name HA )) (( segid " A" and resid 270 and name HG2 )) 3.000 1.100 1.100 peak 2825 spectrum 1 weight 0.10000E+01 volume 0.23629E-02 ppm1 2.332 ppm2 1.855 CV 1 ASSI { 2826} (( segid " A" and resid 270 and name HA )) (( segid " A" and resid 270 and name HB1 )) 2.700 0.900 0.900 peak 2826 spectrum 1 weight 0.10000E+01 volume 0.27008E-02 ppm1 4.878 ppm2 1.844 CV 1 ASSI { 2827} (( segid " A" and resid 122 and name HB2 )) (( segid " A" and resid 122 and name HG1 )) 2.500 0.800 0.800 peak 2827 spectrum 1 weight 0.10000E+01 volume 0.83478E-02 ppm1 2.162 ppm2 1.838 CV 1 OR { 2827} (( segid " A" and resid 122 and name HB2 )) (( segid " A" and resid 123 and name HG )) ASSI { 2828} ( segid " A" and resid 266 and name HB% ) (( segid " A" and resid 270 and name HG2 )) 2.900 1.000 1.000 peak 2828 spectrum 1 weight 0.10000E+01 volume 0.26275E-02 ppm1 1.337 ppm2 1.852 CV 1 OR { 2828} ( segid " A" and resid 266 and name HB% ) (( segid " A" and resid 270 and name HB1 )) ASSI { 2829} ( segid " A" and resid 270 and name HE% ) (( segid " A" and resid 270 and name HB1 )) 2.000 0.500 0.500 peak 2829 spectrum 1 weight 0.10000E+01 volume 0.12992E-01 ppm1 0.597 ppm2 1.852 CV 1 ASSI { 2830} (( segid " A" and resid 267 and name HA )) (( segid " A" and resid 282 and name HB )) 3.700 1.700 1.700 peak 2830 spectrum 1 weight 0.10000E+01 volume 0.20158E-02 ppm1 3.435 ppm2 1.809 CV 1 ASSI { 2831} (( segid " A" and resid 248 and name HA )) (( segid " A" and resid 248 and name HB2 )) 3.100 1.200 1.200 peak 2831 spectrum 1 weight 0.10000E+01 volume 0.28106E-02 ppm1 4.431 ppm2 1.820 CV 1 ASSI { 2832} (( segid " A" and resid 271 and name HB2 )) (( segid " A" and resid 282 and name HB )) 3.800 1.800 1.800 peak 2832 spectrum 1 weight 0.10000E+01 volume 0.23795E-02 ppm1 2.968 ppm2 1.818 CV 1 ASSI { 2833} (( segid " A" and resid 271 and name HB1 )) (( segid " A" and resid 282 and name HB )) 4.500 2.600 1.500 peak 2833 spectrum 1 weight 0.10000E+01 volume 0.18959E-02 ppm1 2.859 ppm2 1.806 CV 1 ASSI { 2834} (( segid " A" and resid 248 and name HB1 )) (( segid " A" and resid 248 and name HB2 )) 1.800 0.400 0.400 peak 2834 spectrum 1 weight 0.10000E+01 volume 0.21240E-01 ppm1 1.632 ppm2 1.831 CV 1 OR { 2834} (( segid " A" and resid 270 and name HG1 )) (( segid " A" and resid 270 and name HB1 )) ASSI { 2835} ( segid " A" and resid 127 and name HG2%) (( segid " A" and resid 123 and name HG )) 4.400 2.500 1.600 peak 2835 spectrum 1 weight 0.10000E+01 volume 0.19217E-02 ppm1 1.325 ppm2 1.823 CV 1 ASSI { 2836} ( segid " A" and resid 123 and name HD1%) (( segid " A" and resid 123 and name HG )) 2.100 0.500 0.500 peak 2836 spectrum 1 weight 0.10000E+01 volume 0.15772E-01 ppm1 0.932 ppm2 1.817 CV 1 OR { 2836} ( segid " A" and resid 114 and name HG2%) (( segid " A" and resid 170 and name HB2 )) ASSI { 2837} ( segid " A" and resid 213 and name HG2%) (( segid " A" and resid 282 and name HB )) 4.700 2.800 1.300 peak 2837 spectrum 1 weight 0.10000E+01 volume 0.14632E-02 ppm1 0.440 ppm2 1.831 CV 1 OR { 2837} ( segid " A" and resid 213 and name HG2%) (( segid " A" and resid 270 and name HB1 )) ASSI { 2839} (( segid " A" and resid 169 and name HA )) (( segid " A" and resid 170 and name HB2 )) 3.800 1.800 1.800 peak 2839 spectrum 1 weight 0.10000E+01 volume 0.27141E-02 ppm1 2.379 ppm2 1.786 CV 1 OR { 2839} (( segid " A" and resid 169 and name HA )) (( segid " A" and resid 281 and name HB1 )) ASSI { 2840} (( segid " A" and resid 134 and name HD2 )) (( segid " A" and resid 134 and name HG2 )) 2.600 0.800 0.800 peak 2840 spectrum 1 weight 0.10000E+01 volume 0.37112E-02 ppm1 3.074 ppm2 1.774 CV 1 ASSI { 2841} (( segid " A" and resid 170 and name HB1 )) (( segid " A" and resid 170 and name HB2 )) 1.600 0.300 0.600 peak 2841 spectrum 1 weight 0.10000E+01 volume 0.24702E-01 ppm1 1.573 ppm2 1.785 CV 1 ASSI { 2842} (( segid " A" and resid 250 and name HB2 )) (( segid " A" and resid 250 and name HD2 )) 3.100 1.200 1.200 peak 2842 spectrum 1 weight 0.10000E+01 volume 0.26100E-02 ppm1 2.451 ppm2 1.802 CV 1 ASSI { 2843} (( segid " A" and resid 177 and name HG1 )) (( segid " A" and resid 177 and name HB2 )) 2.800 1.000 1.000 peak 2843 spectrum 1 weight 0.10000E+01 volume 0.71485E-02 ppm1 2.316 ppm2 1.781 CV 1 ASSI { 2844} (( segid " A" and resid 177 and name HG2 )) (( segid " A" and resid 177 and name HB2 )) 2.300 0.700 0.700 peak 2844 spectrum 1 weight 0.10000E+01 volume 0.84810E-02 ppm1 2.276 ppm2 1.784 CV 1 ASSI { 2846} ( segid " A" and resid 169 and name HB% ) (( segid " A" and resid 170 and name HB2 )) 3.300 1.400 1.400 peak 2846 spectrum 1 weight 0.10000E+01 volume 0.42188E-02 ppm1 1.349 ppm2 1.796 CV 1 ASSI { 2847} ( segid " A" and resid 173 and name HE% ) (( segid " A" and resid 177 and name HB2 )) 2.600 0.900 0.900 peak 2847 spectrum 1 weight 0.10000E+01 volume 0.86391E-02 ppm1 1.394 ppm2 1.801 CV 1 ASSI { 2849} (( segid " A" and resid 134 and name HA )) (( segid " A" and resid 134 and name HG2 )) 3.900 1.900 1.900 peak 2849 spectrum 1 weight 0.10000E+01 volume 0.35980E-02 ppm1 4.044 ppm2 1.766 CV 1 ASSI { 2850} (( segid " A" and resid 135 and name HA )) (( segid " A" and resid 281 and name HB2 )) 3.000 1.100 1.100 peak 2850 spectrum 1 weight 0.10000E+01 volume 0.32950E-02 ppm1 3.899 ppm2 1.762 CV 1 OR { 2850} (( segid " A" and resid 135 and name HA )) (( segid " A" and resid 281 and name HB1 )) ASSI { 2851} (( segid " A" and resid 203 and name HA )) (( segid " A" and resid 206 and name HG2 )) 3.400 1.500 1.500 peak 2851 spectrum 1 weight 0.10000E+01 volume 0.87972E-02 ppm1 4.069 ppm2 1.767 CV 1 ASSI { 2852} (( segid " A" and resid 165 and name HA )) (( segid " A" and resid 281 and name HB1 )) 4.700 2.800 1.300 peak 2852 spectrum 1 weight 0.10000E+01 volume 0.92051E-03 ppm1 3.650 ppm2 1.748 CV 1 OR { 2852} (( segid " A" and resid 165 and name HA )) (( segid " A" and resid 281 and name HB2 )) OR { 2852} (( segid " A" and resid 165 and name HA )) (( segid " A" and resid 172 and name HB2 )) ASSI { 2853} (( segid " A" and resid 196 and name HD1 )) (( segid " A" and resid 196 and name HB1 )) 3.900 1.900 1.900 peak 2853 spectrum 1 weight 0.10000E+01 volume 0.41040E-02 ppm1 3.519 ppm2 1.759 CV 1 ASSI { 2854} (( segid " A" and resid 256 and name HG2 )) (( segid " A" and resid 256 and name HB2 )) 2.900 1.100 1.100 peak 2854 spectrum 1 weight 0.10000E+01 volume 0.89221E-02 ppm1 2.146 ppm2 1.753 CV 1 ASSI { 2856} (( segid " A" and resid 181 and name HG2 )) (( segid " A" and resid 181 and name HB2 )) 2.400 0.700 0.700 peak 2856 spectrum 1 weight 0.10000E+01 volume 0.13866E-01 ppm1 1.542 ppm2 1.767 CV 1 OR { 2856} (( segid " A" and resid 181 and name HG1 )) (( segid " A" and resid 181 and name HB2 )) ASSI { 2857} ( segid " A" and resid 168 and name HD2%) (( segid " A" and resid 281 and name HB1 )) 2.400 0.700 0.700 peak 2857 spectrum 1 weight 0.10000E+01 volume 0.85892E-02 ppm1 1.024 ppm2 1.767 CV 1 OR { 2857} ( segid " A" and resid 168 and name HD2%) (( segid " A" and resid 281 and name HB2 )) ASSI { 2858} ( segid " A" and resid 168 and name HD1%) (( segid " A" and resid 281 and name HB1 )) 2.700 0.900 0.900 peak 2858 spectrum 1 weight 0.10000E+01 volume 0.64394E-02 ppm1 0.908 ppm2 1.767 CV 1 OR { 2858} ( segid " A" and resid 168 and name HD1%) (( segid " A" and resid 281 and name HB2 )) ASSI { 2859} ( segid " A" and resid 214 and name HB% ) (( segid " A" and resid 281 and name HB2 )) 2.500 0.800 0.800 peak 2859 spectrum 1 weight 0.10000E+01 volume 0.56171E-02 ppm1 1.269 ppm2 1.747 CV 1 OR { 2859} ( segid " A" and resid 214 and name HB% ) (( segid " A" and resid 281 and name HB1 )) ASSI { 2860} ( segid " A" and resid 183 and name HG2%) (( segid " A" and resid 177 and name HB2 )) 3.700 1.700 1.700 peak 2860 spectrum 1 weight 0.10000E+01 volume 0.30728E-02 ppm1 0.957 ppm2 1.766 CV 1 ASSI { 2861} ( segid " A" and resid 241 and name HB% ) (( segid " A" and resid 250 and name HD1 )) 3.100 1.200 1.200 peak 2861 spectrum 1 weight 0.10000E+01 volume 0.45002E-02 ppm1 0.779 ppm2 1.754 CV 1 ASSI { 2862} ( segid " A" and resid 205 and name HB% ) (( segid " A" and resid 206 and name HG2 )) 3.600 1.600 1.600 peak 2862 spectrum 1 weight 0.10000E+01 volume 0.37444E-02 ppm1 1.151 ppm2 1.764 CV 1 OR { 2862} ( segid " A" and resid 205 and name HB% ) (( segid " A" and resid 288 and name HG2 )) ASSI { 2863} (( segid " A" and resid 164 and name HA )) (( segid " A" and resid 163 and name HB1 )) 4.900 2.900 1.100 peak 2863 spectrum 1 weight 0.10000E+01 volume 0.71993E-03 ppm1 3.312 ppm2 1.724 CV 1 ASSI { 2864} (( segid " A" and resid 258 and name HA )) (( segid " A" and resid 236 and name HB1 )) 3.500 1.500 1.500 peak 2864 spectrum 1 weight 0.10000E+01 volume 0.54298E-02 ppm1 4.110 ppm2 1.726 CV 1 ASSI { 2865} (( segid " A" and resid 113 and name HA )) (( segid " A" and resid 113 and name HB2 )) 3.000 1.100 1.100 peak 2865 spectrum 1 weight 0.10000E+01 volume 0.53291E-02 ppm1 5.373 ppm2 1.741 CV 1 ASSI { 2866} (( segid " A" and resid 107 and name HA )) (( segid " A" and resid 110 and name HG11)) 3.000 1.200 1.200 peak 2866 spectrum 1 weight 0.10000E+01 volume 0.32151E-02 ppm1 3.940 ppm2 1.724 CV 1 OR { 2866} (( segid " A" and resid 107 and name HA )) (( segid " A" and resid 108 and name HG )) ASSI { 2868} (( segid " A" and resid 183 and name HB )) (( segid " A" and resid 184 and name HB2 )) 5.000 3.200 1.000 peak 2868 spectrum 1 weight 0.10000E+01 volume 0.74989E-03 ppm1 2.012 ppm2 1.731 CV 1 OR { 2868} (( segid " A" and resid 183 and name HB )) (( segid " A" and resid 184 and name HD1 )) ASSI { 2869} (( segid " A" and resid 184 and name HB1 )) (( segid " A" and resid 184 and name HB2 )) 1.600 0.300 0.600 peak 2869 spectrum 1 weight 0.10000E+01 volume 0.31202E-01 ppm1 1.599 ppm2 1.737 CV 1 ASSI { 2870} (( segid " A" and resid 113 and name HG1 )) (( segid " A" and resid 113 and name HG2 )) 1.500 0.300 0.700 peak 2870 spectrum 1 weight 0.10000E+01 volume 0.28822E-01 ppm1 1.386 ppm2 1.734 CV 1 ASSI { 2871} ( segid " A" and resid 170 and name HD2%) (( segid " A" and resid 170 and name HG )) 2.200 0.600 0.600 peak 2871 spectrum 1 weight 0.10000E+01 volume 0.19043E-01 ppm1 0.806 ppm2 1.733 CV 1 OR { 2871} ( segid " A" and resid 170 and name HD1%) (( segid " A" and resid 170 and name HG )) ASSI { 2872} ( segid " A" and resid 272 and name HD2%) (( segid " A" and resid 172 and name HB2 )) 3.700 1.700 1.700 peak 2872 spectrum 1 weight 0.10000E+01 volume 0.27973E-02 ppm1 0.713 ppm2 1.729 CV 1 OR { 2872} ( segid " A" and resid 116 and name HG2%) (( segid " A" and resid 184 and name HB2 )) OR { 2872} ( segid " A" and resid 116 and name HG2%) (( segid " A" and resid 113 and name HB2 )) OR { 2872} ( segid " A" and resid 116 and name HG2%) (( segid " A" and resid 113 and name HG2 )) ASSI { 2873} ( segid " A" and resid 116 and name HG1%) (( segid " A" and resid 184 and name HB2 )) 4.900 3.000 1.100 peak 2873 spectrum 1 weight 0.10000E+01 volume 0.73740E-03 ppm1 0.296 ppm2 1.729 CV 1 OR { 2873} ( segid " A" and resid 116 and name HG1%) (( segid " A" and resid 170 and name HG )) OR { 2873} ( segid " A" and resid 116 and name HG1%) (( segid " A" and resid 113 and name HB2 )) OR { 2873} ( segid " A" and resid 116 and name HG1%) (( segid " A" and resid 184 and name HD2 )) ASSI { 2874} ( segid " A" and resid 114 and name HG1%) (( segid " A" and resid 113 and name HB2 )) 3.900 1.900 1.900 peak 2874 spectrum 1 weight 0.10000E+01 volume 0.44261E-02 ppm1 0.895 ppm2 1.730 CV 1 OR { 2874} ( segid " A" and resid 114 and name HG1%) (( segid " A" and resid 113 and name HG2 )) OR { 2874} ( segid " A" and resid 114 and name HG1%) (( segid " A" and resid 170 and name HG )) ASSI { 2875} ( segid " A" and resid 197 and name HG2%) (( segid " A" and resid 108 and name HG )) 2.900 1.100 1.100 peak 2875 spectrum 1 weight 0.10000E+01 volume 0.58534E-02 ppm1 0.882 ppm2 1.722 CV 1 ASSI { 2876} ( segid " A" and resid 177 and name HE% ) (( segid " A" and resid 170 and name HG )) 2.400 2.400 3.600 peak 2876 spectrum 1 weight 0.10000E+01 volume 0.10520E-01 ppm1 1.929 ppm2 1.734 CV 1 OR { 2876} ( segid " A" and resid 177 and name HE% ) (( segid " A" and resid 134 and name HG1 )) OR { 2876} ( segid " A" and resid 177 and name HE% ) (( segid " A" and resid 184 and name HB2 )) OR { 2876} ( segid " A" and resid 177 and name HE% ) (( segid " A" and resid 172 and name HB2 )) OR { 2876} ( segid " A" and resid 177 and name HE% ) (( segid " A" and resid 184 and name HD1 )) ASSI { 2877} ( segid " A" and resid 197 and name HD1%) (( segid " A" and resid 196 and name HB1 )) 2.700 2.700 3.300 peak 2877 spectrum 1 weight 0.10000E+01 volume 0.25801E-02 ppm1 0.792 ppm2 1.741 CV 1 ASSI { 2879} (( segid " A" and resid 235 and name HA )) (( segid " A" and resid 236 and name HB1 )) 4.000 2.000 2.000 peak 2879 spectrum 1 weight 0.10000E+01 volume 0.29122E-02 ppm1 4.021 ppm2 1.708 CV 1 OR { 2879} (( segid " A" and resid 235 and name HA )) (( segid " A" and resid 226 and name HD2 )) ASSI { 2880} (( segid " A" and resid 157 and name HB2 )) (( segid " A" and resid 159 and name HB1 )) 4.100 2.100 1.900 peak 2880 spectrum 1 weight 0.10000E+01 volume 0.12368E-02 ppm1 2.747 ppm2 1.696 CV 1 ASSI { 2881} (( segid " A" and resid 159 and name HG2 )) (( segid " A" and resid 159 and name HB1 )) 2.500 0.800 0.800 peak 2881 spectrum 1 weight 0.10000E+01 volume 0.89470E-02 ppm1 2.026 ppm2 1.695 CV 1 OR { 2881} (( segid " A" and resid 159 and name HG1 )) (( segid " A" and resid 159 and name HB1 )) ASSI { 2882} (( segid " A" and resid 159 and name HB2 )) (( segid " A" and resid 159 and name HB1 )) 1.900 0.400 0.400 peak 2882 spectrum 1 weight 0.10000E+01 volume 0.11019E-01 ppm1 2.045 ppm2 1.691 CV 1 ASSI { 2883} (( segid " A" and resid 134 and name HB1 )) (( segid " A" and resid 134 and name HG1 )) 2.800 1.000 1.000 peak 2883 spectrum 1 weight 0.10000E+01 volume 0.30020E-02 ppm1 0.266 ppm2 1.712 CV 1 ASSI { 2884} ( segid " A" and resid 287 and name HG2%) (( segid " A" and resid 163 and name HB1 )) 3.100 1.200 1.200 peak 2884 spectrum 1 weight 0.10000E+01 volume 0.47340E-02 ppm1 1.086 ppm2 1.702 CV 1 ASSI { 2885} ( segid " A" and resid 111 and name HE% ) (( segid " A" and resid 163 and name HB1 )) 2.900 1.100 1.100 peak 2885 spectrum 1 weight 0.10000E+01 volume 0.11552E-01 ppm1 1.971 ppm2 1.703 CV 1 ASSI { 2886} (( segid " A" and resid 140 and name HB1 )) (( segid " A" and resid 159 and name HB1 )) 2.900 2.900 3.100 peak 2886 spectrum 1 weight 0.10000E+01 volume 0.20924E-02 ppm1 3.755 ppm2 1.665 CV 1 ASSI { 2887} (( segid " A" and resid 158 and name HA )) (( segid " A" and resid 141 and name HB )) 4.400 2.400 1.600 peak 2887 spectrum 1 weight 0.10000E+01 volume 0.14657E-02 ppm1 4.082 ppm2 1.659 CV 1 OR { 2887} (( segid " A" and resid 149 and name HA )) (( segid " A" and resid 151 and name HB2 )) ASSI { 2888} (( segid " A" and resid 223 and name HA )) (( segid " A" and resid 226 and name HD1 )) 3.800 1.800 1.800 peak 2888 spectrum 1 weight 0.10000E+01 volume 0.14723E-02 ppm1 4.397 ppm2 1.663 CV 1 OR { 2888} (( segid " A" and resid 223 and name HA )) (( segid " A" and resid 226 and name HD2 )) ASSI { 2889} (( segid " A" and resid 217 and name HB2 )) (( segid " A" and resid 220 and name HG )) 4.300 2.300 1.700 peak 2889 spectrum 1 weight 0.10000E+01 volume 0.20466E-02 ppm1 3.091 ppm2 1.666 CV 1 ASSI { 2890} (( segid " A" and resid 217 and name HB1 )) (( segid " A" and resid 220 and name HG )) 3.500 1.500 1.500 peak 2890 spectrum 1 weight 0.10000E+01 volume 0.20957E-02 ppm1 2.838 ppm2 1.664 CV 1 ASSI { 2891} ( segid " A" and resid 225 and name HG2%) (( segid " A" and resid 220 and name HG )) 5.100 3.300 0.900 peak 2891 spectrum 1 weight 0.10000E+01 volume 0.81314E-03 ppm1 0.637 ppm2 1.671 CV 1 OR { 2891} ( segid " A" and resid 225 and name HG2%) (( segid " A" and resid 226 and name HD2 )) OR { 2891} ( segid " A" and resid 225 and name HG2%) (( segid " A" and resid 226 and name HD1 )) ASSI { 2892} ( segid " A" and resid 255 and name HG2%) (( segid " A" and resid 270 and name HG1 )) 3.000 1.100 1.100 peak 2892 spectrum 1 weight 0.10000E+01 volume 0.22863E-02 ppm1 0.229 ppm2 1.664 CV 1 OR { 2892} ( segid " A" and resid 255 and name HG2%) (( segid " A" and resid 235 and name HB )) OR { 2892} ( segid " A" and resid 255 and name HG2%) (( segid " A" and resid 226 and name HD2 )) ASSI { 2893} ( segid " A" and resid 255 and name HD1%) (( segid " A" and resid 270 and name HG1 )) 3.200 1.300 1.300 peak 2893 spectrum 1 weight 0.10000E+01 volume 0.85808E-03 ppm1 -0.131 ppm2 1.666 CV 1 OR { 2893} ( segid " A" and resid 255 and name HD1%) (( segid " A" and resid 226 and name HD2 )) OR { 2893} ( segid " A" and resid 255 and name HD1%) (( segid " A" and resid 235 and name HB )) ASSI { 2894} (( segid " A" and resid 149 and name HB )) (( segid " A" and resid 151 and name HB2 )) 4.300 2.300 1.700 peak 2894 spectrum 1 weight 0.10000E+01 volume 0.11411E-02 ppm1 4.128 ppm2 1.636 CV 1 ASSI { 2895} (( segid " A" and resid 269 and name HB2 )) (( segid " A" and resid 270 and name HG1 )) 5.200 3.300 0.800 peak 2895 spectrum 1 weight 0.10000E+01 volume 0.70994E-03 ppm1 3.492 ppm2 1.635 CV 1 ASSI { 2896} (( segid " A" and resid 266 and name HA )) (( segid " A" and resid 270 and name HG1 )) 4.600 2.700 1.400 peak 2896 spectrum 1 weight 0.10000E+01 volume 0.12168E-02 ppm1 2.332 ppm2 1.648 CV 1 ASSI { 2897} (( segid " A" and resid 134 and name HD2 )) ( segid " A" and resid 133 and name HB% ) 3.700 1.700 1.700 peak 2897 spectrum 1 weight 0.10000E+01 volume 0.41389E-02 ppm1 3.075 ppm2 1.640 CV 1 ASSI { 2900} ( segid " A" and resid 216 and name HG1%) (( segid " A" and resid 220 and name HG )) 3.800 1.800 1.800 peak 2900 spectrum 1 weight 0.10000E+01 volume 0.25035E-02 ppm1 0.669 ppm2 1.655 CV 1 OR { 2900} ( segid " A" and resid 228 and name HG2%) (( segid " A" and resid 270 and name HG1 )) ASSI { 2901} ( segid " A" and resid 158 and name HG1%) (( segid " A" and resid 138 and name HB )) 2.700 2.700 3.300 peak 2901 spectrum 1 weight 0.10000E+01 volume 0.24802E-02 ppm1 0.133 ppm2 1.640 CV 1 OR { 2901} ( segid " A" and resid 158 and name HG1%) (( segid " A" and resid 141 and name HB )) ASSI { 2902} ( segid " A" and resid 266 and name HB% ) (( segid " A" and resid 270 and name HG1 )) 3.200 1.300 1.300 peak 2902 spectrum 1 weight 0.10000E+01 volume 0.21356E-02 ppm1 1.337 ppm2 1.631 CV 1 ASSI { 2903} ( segid " A" and resid 141 and name HG2%) (( segid " A" and resid 141 and name HB )) 2.200 0.600 0.600 peak 2903 spectrum 1 weight 0.10000E+01 volume 0.16454E-01 ppm1 0.600 ppm2 1.631 CV 1 ASSI { 2904} ( segid " A" and resid 235 and name HD1%) (( segid " A" and resid 235 and name HB )) 2.300 0.700 0.700 peak 2904 spectrum 1 weight 0.10000E+01 volume 0.92134E-02 ppm1 0.703 ppm2 1.649 CV 1 ASSI { 2905} (( segid " A" and resid 258 and name HA )) (( segid " A" and resid 259 and name HG1 )) 3.500 3.500 2.500 peak 2905 spectrum 1 weight 0.10000E+01 volume 0.33566E-02 ppm1 4.113 ppm2 1.600 CV 1 ASSI { 2906} (( segid " A" and resid 248 and name HA )) (( segid " A" and resid 248 and name HB1 )) 3.200 1.200 1.200 peak 2906 spectrum 1 weight 0.10000E+01 volume 0.23862E-02 ppm1 4.430 ppm2 1.617 CV 1 OR { 2906} (( segid " A" and resid 248 and name HA )) (( segid " A" and resid 248 and name HD2 )) ASSI { 2907} (( segid " A" and resid 241 and name HA )) (( segid " A" and resid 242 and name HB1 )) 4.300 2.300 1.700 peak 2907 spectrum 1 weight 0.10000E+01 volume 0.20449E-02 ppm1 4.149 ppm2 1.608 CV 1 OR { 2907} (( segid " A" and resid 241 and name HA )) (( segid " A" and resid 242 and name HG1 )) ASSI { 2909} (( segid " A" and resid 247 and name HA1 )) (( segid " A" and resid 248 and name HB1 )) 4.200 2.200 1.800 peak 2909 spectrum 1 weight 0.10000E+01 volume 0.81064E-03 ppm1 3.772 ppm2 1.616 CV 1 OR { 2909} (( segid " A" and resid 247 and name HA1 )) (( segid " A" and resid 248 and name HD1 )) OR { 2909} (( segid " A" and resid 247 and name HA1 )) (( segid " A" and resid 248 and name HD2 )) ASSI { 2910} (( segid " A" and resid 132 and name HB2 )) ( segid " A" and resid 133 and name HB% ) 4.700 2.800 1.300 peak 2910 spectrum 1 weight 0.10000E+01 volume 0.72575E-03 ppm1 3.539 ppm2 1.626 CV 1 OR { 2910} (( segid " A" and resid 229 and name HB1 )) (( segid " A" and resid 235 and name HB )) OR { 2910} (( segid " A" and resid 132 and name HB2 )) (( segid " A" and resid 138 and name HB )) OR { 2910} (( segid " A" and resid 229 and name HB1 )) (( segid " A" and resid 270 and name HG1 )) ASSI { 2911} (( segid " A" and resid 125 and name HG1 )) (( segid " A" and resid 141 and name HB )) 2.600 0.800 0.800 peak 2911 spectrum 1 weight 0.10000E+01 volume 0.76312E-02 ppm1 2.235 ppm2 1.614 CV 1 OR { 2911} (( segid " A" and resid 125 and name HG2 )) (( segid " A" and resid 141 and name HB )) ASSI { 2914} (( segid " A" and resid 242 and name HB2 )) (( segid " A" and resid 242 and name HB1 )) 1.800 0.400 0.400 peak 2914 spectrum 1 weight 0.10000E+01 volume 0.19334E-01 ppm1 1.371 ppm2 1.617 CV 1 OR { 2914} (( segid " A" and resid 242 and name HB2 )) (( segid " A" and resid 242 and name HG1 )) ASSI { 2915} ( segid " A" and resid 246 and name HG2%) (( segid " A" and resid 248 and name HD1 )) 3.800 1.800 1.800 peak 2915 spectrum 1 weight 0.10000E+01 volume 0.31718E-02 ppm1 1.188 ppm2 1.598 CV 1 OR { 2915} ( segid " A" and resid 246 and name HG2%) (( segid " A" and resid 248 and name HB1 )) OR { 2915} ( segid " A" and resid 246 and name HG2%) (( segid " A" and resid 248 and name HD2 )) OR { 2915} ( segid " A" and resid 246 and name HG2%) (( segid " A" and resid 242 and name HB1 )) ASSI { 2916} ( segid " A" and resid 241 and name HB% ) (( segid " A" and resid 242 and name HB1 )) 4.400 2.400 1.600 peak 2916 spectrum 1 weight 0.10000E+01 volume 0.14091E-02 ppm1 0.773 ppm2 1.601 CV 1 OR { 2916} ( segid " A" and resid 241 and name HB% ) (( segid " A" and resid 242 and name HG1 )) ASSI { 2917} ( segid " A" and resid 138 and name HD1%) (( segid " A" and resid 138 and name HB )) 2.200 0.600 0.600 peak 2917 spectrum 1 weight 0.10000E+01 volume 0.17170E-01 ppm1 0.764 ppm2 1.625 CV 1 ASSI { 2918} (( segid " A" and resid 246 and name HB )) (( segid " A" and resid 248 and name HD1 )) 4.100 2.100 1.900 peak 2918 spectrum 1 weight 0.10000E+01 volume 0.15006E-02 ppm1 4.284 ppm2 1.597 CV 1 OR { 2918} (( segid " A" and resid 246 and name HB )) (( segid " A" and resid 248 and name HD2 )) OR { 2918} (( segid " A" and resid 246 and name HB )) (( segid " A" and resid 248 and name HB1 )) ASSI { 2925} (( segid " A" and resid 206 and name HD2 )) ( segid " A" and resid 202 and name HB% ) 2.900 2.900 3.100 peak 2925 spectrum 1 weight 0.10000E+01 volume 0.14840E-02 ppm1 3.279 ppm2 1.580 CV 1 OR { 2925} (( segid " A" and resid 206 and name HD1 )) ( segid " A" and resid 202 and name HB% ) ASSI { 2926} (( segid " A" and resid 129 and name HB1 )) ( segid " A" and resid 133 and name HB% ) 2.900 2.900 3.100 peak 2926 spectrum 1 weight 0.10000E+01 volume 0.11527E-01 ppm1 1.885 ppm2 1.595 CV 1 ASSI { 2927} (( segid " A" and resid 170 and name HG )) (( segid " A" and resid 170 and name HB1 )) 2.500 0.800 0.800 peak 2927 spectrum 1 weight 0.10000E+01 volume 0.93382E-02 ppm1 1.718 ppm2 1.582 CV 1 ASSI { 2928} ( segid " A" and resid 156 and name HB% ) (( segid " A" and resid 116 and name HB )) 2.200 2.200 3.800 peak 2928 spectrum 1 weight 0.10000E+01 volume 0.42263E-01 ppm1 0.841 ppm2 1.581 CV 1 ASSI { 2929} ( segid " A" and resid 128 and name HD1%) (( segid " A" and resid 116 and name HB )) 4.000 2.000 2.000 peak 2929 spectrum 1 weight 0.10000E+01 volume 0.17636E-02 ppm1 0.487 ppm2 1.569 CV 1 OR { 2929} ( segid " A" and resid 128 and name HD1%) (( segid " A" and resid 178 and name HB1 )) ASSI { 2931} (( segid " A" and resid 122 and name HB2 )) (( segid " A" and resid 122 and name HB1 )) 1.600 0.300 0.600 peak 2931 spectrum 1 weight 0.10000E+01 volume 0.17278E-01 ppm1 2.164 ppm2 1.563 CV 1 ASSI { 2933} ( segid " A" and resid 267 and name HG2%) (( segid " A" and resid 284 and name HG2 )) 2.500 0.800 0.800 peak 2933 spectrum 1 weight 0.10000E+01 volume 0.10087E-01 ppm1 1.005 ppm2 1.542 CV 1 OR { 2933} ( segid " A" and resid 267 and name HG2%) (( segid " A" and resid 284 and name HG1 )) ASSI { 2934} ( segid " A" and resid 286 and name HG1%) ( segid " A" and resid 285 and name HB% ) 3.100 1.200 1.200 peak 2934 spectrum 1 weight 0.10000E+01 volume 0.52159E-02 ppm1 0.793 ppm2 1.547 CV 1 ASSI { 2935} ( segid " A" and resid 116 and name HG1%) (( segid " A" and resid 116 and name HB )) 2.400 0.700 0.700 peak 2935 spectrum 1 weight 0.10000E+01 volume 0.99624E-02 ppm1 0.294 ppm2 1.567 CV 1 ASSI { 2936} ( segid " A" and resid 205 and name HB% ) ( segid " A" and resid 285 and name HB% ) 2.600 0.900 0.900 peak 2936 spectrum 1 weight 0.10000E+01 volume 0.85975E-02 ppm1 1.152 ppm2 1.542 CV 1 ASSI { 2937} (( segid " A" and resid 221 and name HB1 )) (( segid " A" and resid 225 and name HG12)) 4.600 2.600 1.400 peak 2937 spectrum 1 weight 0.10000E+01 volume 0.94298E-03 ppm1 3.994 ppm2 1.530 CV 1 OR { 2937} (( segid " A" and resid 127 and name HA )) (( segid " A" and resid 129 and name HG2 )) OR { 2937} (( segid " A" and resid 127 and name HA )) (( segid " A" and resid 129 and name HG1 )) ASSI { 2938} (( segid " A" and resid 211 and name HA )) ( segid " A" and resid 285 and name HB% ) 3.100 1.200 1.200 peak 2938 spectrum 1 weight 0.10000E+01 volume 0.22630E-02 ppm1 5.090 ppm2 1.527 CV 1 ASSI { 2939} (( segid " A" and resid 283 and name HA2 )) (( segid " A" and resid 284 and name HG1 )) 4.200 2.200 1.800 peak 2939 spectrum 1 weight 0.10000E+01 volume 0.17328E-02 ppm1 4.040 ppm2 1.533 CV 1 OR { 2939} (( segid " A" and resid 283 and name HA2 )) (( segid " A" and resid 284 and name HG2 )) ASSI { 2940} (( segid " A" and resid 129 and name HD2 )) (( segid " A" and resid 129 and name HG2 )) 2.500 0.800 0.800 peak 2940 spectrum 1 weight 0.10000E+01 volume 0.72334E-02 ppm1 3.344 ppm2 1.535 CV 1 OR { 2940} (( segid " A" and resid 129 and name HD2 )) (( segid " A" and resid 129 and name HG1 )) ASSI { 2941} (( segid " A" and resid 129 and name HD1 )) (( segid " A" and resid 129 and name HG2 )) 2.400 0.700 0.700 peak 2941 spectrum 1 weight 0.10000E+01 volume 0.10936E-01 ppm1 3.165 ppm2 1.538 CV 1 OR { 2941} (( segid " A" and resid 129 and name HD1 )) (( segid " A" and resid 129 and name HG1 )) ASSI { 2942} (( segid " A" and resid 271 and name HB2 )) (( segid " A" and resid 272 and name HG )) 4.600 2.700 1.400 peak 2942 spectrum 1 weight 0.10000E+01 volume 0.78568E-03 ppm1 2.963 ppm2 1.527 CV 1 OR { 2942} (( segid " A" and resid 271 and name HB2 )) (( segid " A" and resid 272 and name HB1 )) ASSI { 2943} (( segid " A" and resid 139 and name HB1 )) (( segid " A" and resid 139 and name HB2 )) 1.700 0.300 0.500 peak 2943 spectrum 1 weight 0.10000E+01 volume 0.16413E-01 ppm1 1.421 ppm2 1.517 CV 1 ASSI { 2944} ( segid " A" and resid 216 and name HG1%) (( segid " A" and resid 225 and name HG12)) 3.100 1.200 1.200 peak 2944 spectrum 1 weight 0.10000E+01 volume 0.52892E-02 ppm1 0.669 ppm2 1.514 CV 1 ASSI { 2945} ( segid " A" and resid 216 and name HG2%) (( segid " A" and resid 225 and name HG12)) 3.900 1.900 1.900 peak 2945 spectrum 1 weight 0.10000E+01 volume 0.30445E-02 ppm1 0.380 ppm2 1.512 CV 1 OR { 2945} ( segid " A" and resid 216 and name HG2%) (( segid " A" and resid 240 and name HB2 )) OR { 2945} ( segid " A" and resid 213 and name HG1%) (( segid " A" and resid 225 and name HG12)) OR { 2945} ( segid " A" and resid 213 and name HG1%) ( segid " A" and resid 285 and name HB% ) ASSI { 2946} ( segid " A" and resid 286 and name HG2%) ( segid " A" and resid 285 and name HB% ) 3.900 1.900 1.900 peak 2946 spectrum 1 weight 0.10000E+01 volume 0.40424E-02 ppm1 0.559 ppm2 1.535 CV 1 ASSI { 2947} (( segid " A" and resid 164 and name HA )) ( segid " A" and resid 285 and name HB% ) 4.900 3.000 1.100 peak 2947 spectrum 1 weight 0.10000E+01 volume 0.69912E-03 ppm1 3.318 ppm2 1.501 CV 1 ASSI { 2949} (( segid " A" and resid 256 and name HA )) (( segid " A" and resid 210 and name HG1 )) 3.700 1.700 1.700 peak 2949 spectrum 1 weight 0.10000E+01 volume 0.19101E-02 ppm1 5.036 ppm2 1.481 CV 1 OR { 2949} (( segid " A" and resid 159 and name HA )) ( segid " A" and resid 166 and name HB% ) OR { 2949} (( segid " A" and resid 256 and name HA )) (( segid " A" and resid 236 and name HB2 )) ASSI { 2950} (( segid " A" and resid 183 and name HB )) (( segid " A" and resid 183 and name HG11)) 2.600 0.900 0.900 peak 2950 spectrum 1 weight 0.10000E+01 volume 0.53557E-02 ppm1 2.017 ppm2 1.506 CV 1 OR { 2950} (( segid " A" and resid 183 and name HB )) (( segid " A" and resid 183 and name HG12)) ASSI { 2951} (( segid " A" and resid 141 and name HB )) (( segid " A" and resid 141 and name HG12)) 2.800 1.000 1.000 peak 2951 spectrum 1 weight 0.10000E+01 volume 0.72908E-02 ppm1 1.631 ppm2 1.506 CV 1 ASSI { 2952} (( segid " A" and resid 249 and name HB1 )) (( segid " A" and resid 240 and name HB2 )) 3.700 1.700 1.700 peak 2952 spectrum 1 weight 0.10000E+01 volume 0.12235E-02 ppm1 3.283 ppm2 1.484 CV 1 ASSI { 2953} (( segid " A" and resid 258 and name HB2 )) (( segid " A" and resid 259 and name HG2 )) 3.200 1.300 1.300 peak 2953 spectrum 1 weight 0.10000E+01 volume 0.78959E-02 ppm1 1.972 ppm2 1.497 CV 1 OR { 2953} (( segid " A" and resid 129 and name HB2 )) (( segid " A" and resid 141 and name HG12)) OR { 2953} (( segid " A" and resid 258 and name HB2 )) (( segid " A" and resid 234 and name HG2 )) ASSI { 2954} (( segid " A" and resid 250 and name HD2 )) (( segid " A" and resid 250 and name HG2 )) 2.700 0.900 0.900 peak 2954 spectrum 1 weight 0.10000E+01 volume 0.66566E-02 ppm1 1.822 ppm2 1.482 CV 1 ASSI { 2955} ( segid " A" and resid 183 and name HG2%) (( segid " A" and resid 183 and name HG12)) 2.400 0.700 0.700 peak 2955 spectrum 1 weight 0.10000E+01 volume 0.15680E-01 ppm1 0.950 ppm2 1.498 CV 1 OR { 2955} ( segid " A" and resid 183 and name HG2%) (( segid " A" and resid 183 and name HG11)) ASSI { 2956} ( segid " A" and resid 138 and name HG2%) (( segid " A" and resid 141 and name HG12)) 2.400 0.700 0.700 peak 2956 spectrum 1 weight 0.10000E+01 volume 0.11993E-01 ppm1 0.541 ppm2 1.505 CV 1 ASSI { 2957} ( segid " A" and resid 141 and name HG2%) (( segid " A" and resid 141 and name HG12)) 2.500 0.800 0.800 peak 2957 spectrum 1 weight 0.10000E+01 volume 0.68181E-02 ppm1 0.600 ppm2 1.503 CV 1 ASSI { 2958} ( segid " A" and resid 183 and name HD1%) (( segid " A" and resid 183 and name HG11)) 2.100 0.500 0.500 peak 2958 spectrum 1 weight 0.10000E+01 volume 0.18477E-01 ppm1 0.869 ppm2 1.492 CV 1 OR { 2958} ( segid " A" and resid 183 and name HD1%) (( segid " A" and resid 183 and name HG12)) ASSI { 2959} (( segid " A" and resid 198 and name HA )) ( segid " A" and resid 107 and name HB% ) 3.600 1.600 1.600 peak 2959 spectrum 1 weight 0.10000E+01 volume 0.23562E-02 ppm1 3.553 ppm2 1.462 CV 1 OR { 2959} (( segid " A" and resid 198 and name HA )) ( segid " A" and resid 194 and name HB% ) ASSI { 2962} (( segid " A" and resid 134 and name HD1 )) ( segid " A" and resid 131 and name HB% ) 3.400 3.400 2.600 peak 2962 spectrum 1 weight 0.10000E+01 volume 0.73491E-03 ppm1 3.714 ppm2 1.470 CV 1 ASSI { 2963} (( segid " A" and resid 243 and name HB2 )) (( segid " A" and resid 250 and name HG2 )) 3.700 1.800 1.800 peak 2963 spectrum 1 weight 0.10000E+01 volume 0.10878E-02 ppm1 2.418 ppm2 1.478 CV 1 ASSI { 2964} (( segid " A" and resid 258 and name HG1 )) (( segid " A" and resid 236 and name HB2 )) 2.800 1.000 1.000 peak 2964 spectrum 1 weight 0.10000E+01 volume 0.59475E-02 ppm1 2.241 ppm2 1.462 CV 1 OR { 2964} (( segid " A" and resid 258 and name HG1 )) (( segid " A" and resid 234 and name HG2 )) ASSI { 2965} (( segid " A" and resid 258 and name HG2 )) (( segid " A" and resid 236 and name HB2 )) 2.700 0.900 0.900 peak 2965 spectrum 1 weight 0.10000E+01 volume 0.46475E-02 ppm1 2.146 ppm2 1.475 CV 1 OR { 2965} (( segid " A" and resid 256 and name HG2 )) (( segid " A" and resid 210 and name HG1 )) ASSI { 2967} (( segid " A" and resid 193 and name HG1 )) ( segid " A" and resid 194 and name HB% ) 3.100 1.200 1.200 peak 2967 spectrum 1 weight 0.10000E+01 volume 0.60798E-02 ppm1 2.427 ppm2 1.455 CV 1 OR { 2967} (( segid " A" and resid 193 and name HG2 )) ( segid " A" and resid 194 and name HB% ) OR { 2967} (( segid " A" and resid 130 and name HG1 )) ( segid " A" and resid 131 and name HB% ) ASSI { 2968} (( segid " A" and resid 111 and name HG1 )) ( segid " A" and resid 107 and name HB% ) 3.700 1.700 1.700 peak 2968 spectrum 1 weight 0.10000E+01 volume 0.16005E-02 ppm1 2.606 ppm2 1.466 CV 1 OR { 2968} (( segid " A" and resid 111 and name HG2 )) ( segid " A" and resid 107 and name HB% ) OR { 2968} (( segid " A" and resid 111 and name HG1 )) ( segid " A" and resid 194 and name HB% ) OR { 2968} (( segid " A" and resid 111 and name HG2 )) ( segid " A" and resid 194 and name HB% ) OR { 2968} (( segid " A" and resid 111 and name HG2 )) ( segid " A" and resid 166 and name HB% ) ASSI { 2969} (( segid " A" and resid 167 and name HG1 )) ( segid " A" and resid 166 and name HB% ) 3.600 1.600 1.600 peak 2969 spectrum 1 weight 0.10000E+01 volume 0.38435E-02 ppm1 2.162 ppm2 1.470 CV 1 OR { 2969} (( segid " A" and resid 163 and name HB2 )) ( segid " A" and resid 166 and name HB% ) OR { 2969} (( segid " A" and resid 256 and name HB1 )) (( segid " A" and resid 210 and name HG1 )) ASSI { 2970} (( segid " A" and resid 163 and name HB2 )) ( segid " A" and resid 166 and name HB% ) 3.300 1.300 1.300 peak 2970 spectrum 1 weight 0.10000E+01 volume 0.37636E-02 ppm1 2.125 ppm2 1.460 CV 1 ASSI { 2971} (( segid " A" and resid 130 and name HB2 )) ( segid " A" and resid 131 and name HB% ) 3.200 1.200 1.200 peak 2971 spectrum 1 weight 0.10000E+01 volume 0.66849E-02 ppm1 2.173 ppm2 1.454 CV 1 OR { 2971} (( segid " A" and resid 130 and name HB1 )) ( segid " A" and resid 131 and name HB% ) OR { 2971} (( segid " A" and resid 193 and name HB1 )) ( segid " A" and resid 194 and name HB% ) ASSI { 2972} ( segid " A" and resid 114 and name HG2%) (( segid " A" and resid 158 and name HB )) 2.900 1.000 1.000 peak 2972 spectrum 1 weight 0.10000E+01 volume 0.18618E-01 ppm1 0.929 ppm2 1.457 CV 1 OR { 2972} ( segid " A" and resid 114 and name HG2%) ( segid " A" and resid 166 and name HB% ) ASSI { 2973} ( segid " A" and resid 241 and name HB% ) (( segid " A" and resid 250 and name HG2 )) 4.000 2.000 2.000 peak 2973 spectrum 1 weight 0.10000E+01 volume 0.33142E-02 ppm1 0.780 ppm2 1.473 CV 1 OR { 2973} ( segid " A" and resid 241 and name HB% ) (( segid " A" and resid 240 and name HB2 )) ASSI { 2974} ( segid " A" and resid 111 and name HE% ) ( segid " A" and resid 166 and name HB% ) 3.200 1.300 1.300 peak 2974 spectrum 1 weight 0.10000E+01 volume 0.53890E-02 ppm1 1.970 ppm2 1.467 CV 1 OR { 2974} ( segid " A" and resid 111 and name HE% ) ( segid " A" and resid 107 and name HB% ) ASSI { 2975} (( segid " A" and resid 110 and name HA )) ( segid " A" and resid 109 and name HB% ) 3.500 1.600 1.600 peak 2975 spectrum 1 weight 0.10000E+01 volume 0.27407E-02 ppm1 3.684 ppm2 1.434 CV 1 ASSI { 2976} (( segid " A" and resid 191 and name HA )) (( segid " A" and resid 191 and name HG12)) 3.000 1.100 1.100 peak 2976 spectrum 1 weight 0.10000E+01 volume 0.10861E-01 ppm1 4.026 ppm2 1.437 CV 1 ASSI { 2977} (( segid " A" and resid 204 and name HA )) (( segid " A" and resid 201 and name HB1 )) 3.500 3.500 2.500 peak 2977 spectrum 1 weight 0.10000E+01 volume 0.10004E-01 ppm1 4.072 ppm2 1.447 CV 1 ASSI { 2978} (( segid " A" and resid 157 and name HA )) (( segid " A" and resid 158 and name HB )) 4.400 2.400 1.600 peak 2978 spectrum 1 weight 0.10000E+01 volume 0.17445E-02 ppm1 5.465 ppm2 1.429 CV 1 ASSI { 2980} (( segid " A" and resid 288 and name HD1 )) (( segid " A" and resid 201 and name HB1 )) 3.600 1.600 1.600 peak 2980 spectrum 1 weight 0.10000E+01 volume 0.12651E-02 ppm1 3.521 ppm2 1.444 CV 1 OR { 2980} (( segid " A" and resid 196 and name HD1 )) ( segid " A" and resid 194 and name HB% ) ASSI { 2981} (( segid " A" and resid 178 and name HB1 )) (( segid " A" and resid 178 and name HB2 )) 1.700 0.300 0.500 peak 2981 spectrum 1 weight 0.10000E+01 volume 0.27615E-01 ppm1 1.574 ppm2 1.426 CV 1 ASSI { 2982} (( segid " A" and resid 191 and name HB )) (( segid " A" and resid 191 and name HG12)) 2.500 0.800 0.800 peak 2982 spectrum 1 weight 0.10000E+01 volume 0.90386E-02 ppm1 1.883 ppm2 1.441 CV 1 OR { 2982} (( segid " A" and resid 110 and name HB )) ( segid " A" and resid 194 and name HB% ) ASSI { 2983} (( segid " A" and resid 132 and name HB2 )) ( segid " A" and resid 131 and name HB% ) 4.800 2.900 1.200 peak 2983 spectrum 1 weight 0.10000E+01 volume 0.76404E-03 ppm1 3.550 ppm2 1.435 CV 1 OR { 2983} (( segid " A" and resid 132 and name HB2 )) (( segid " A" and resid 158 and name HB )) ASSI { 2984} (( segid " A" and resid 184 and name HB1 )) (( segid " A" and resid 184 and name HG1 )) 2.500 0.800 0.800 peak 2984 spectrum 1 weight 0.10000E+01 volume 0.10295E-01 ppm1 1.600 ppm2 1.443 CV 1 ASSI { 2985} (( segid " A" and resid 114 and name HB )) ( segid " A" and resid 166 and name HB% ) 2.800 1.000 1.000 peak 2985 spectrum 1 weight 0.10000E+01 volume 0.41131E-02 ppm1 2.092 ppm2 1.443 CV 1 ASSI { 2986} (( segid " A" and resid 264 and name HG1 )) ( segid " A" and resid 260 and name HB% ) 3.300 1.400 1.400 peak 2986 spectrum 1 weight 0.10000E+01 volume 0.35314E-02 ppm1 2.371 ppm2 1.445 CV 1 OR { 2986} (( segid " A" and resid 264 and name HG2 )) ( segid " A" and resid 260 and name HB% ) OR { 2986} (( segid " A" and resid 195 and name HG2 )) ( segid " A" and resid 194 and name HB% ) OR { 2986} (( segid " A" and resid 195 and name HG1 )) ( segid " A" and resid 194 and name HB% ) OR { 2986} (( segid " A" and resid 200 and name HG2 )) (( segid " A" and resid 201 and name HB1 )) ASSI { 2987} (( segid " A" and resid 110 and name HG12)) ( segid " A" and resid 194 and name HB% ) 4.200 2.200 1.800 peak 2987 spectrum 1 weight 0.10000E+01 volume 0.24136E-02 ppm1 1.041 ppm2 1.440 CV 1 OR { 2987} (( segid " A" and resid 110 and name HG12)) ( segid " A" and resid 109 and name HB% ) ASSI { 2988} ( segid " A" and resid 116 and name HG1%) (( segid " A" and resid 158 and name HB )) 3.300 1.400 1.400 peak 2988 spectrum 1 weight 0.10000E+01 volume 0.31202E-02 ppm1 0.293 ppm2 1.450 CV 1 ASSI { 2989} ( segid " A" and resid 114 and name HG1%) (( segid " A" and resid 158 and name HB )) 1.900 0.400 0.400 peak 2989 spectrum 1 weight 0.10000E+01 volume 0.23271E-01 ppm1 0.898 ppm2 1.439 CV 1 ASSI { 2990} ( segid " A" and resid 110 and name HG2%) ( segid " A" and resid 109 and name HB% ) 2.000 2.000 4.000 peak 2990 spectrum 1 weight 0.10000E+01 volume 0.14748E-01 ppm1 0.844 ppm2 1.441 CV 1 ASSI { 2991} ( segid " A" and resid 198 and name HG2%) (( segid " A" and resid 201 and name HB1 )) 3.800 3.800 2.200 peak 2991 spectrum 1 weight 0.10000E+01 volume 0.35222E-02 ppm1 0.930 ppm2 1.446 CV 1 ASSI { 2992} ( segid " A" and resid 110 and name HD1%) ( segid " A" and resid 194 and name HB% ) 2.100 0.600 0.600 peak 2992 spectrum 1 weight 0.10000E+01 volume 0.26475E-01 ppm1 0.735 ppm2 1.447 CV 1 ASSI { 2993} ( segid " A" and resid 128 and name HD1%) ( segid " A" and resid 131 and name HB% ) 3.500 1.500 1.500 peak 2993 spectrum 1 weight 0.10000E+01 volume 0.34040E-02 ppm1 0.489 ppm2 1.437 CV 1 OR { 2993} ( segid " A" and resid 128 and name HD1%) (( segid " A" and resid 178 and name HB2 )) ASSI { 2994} (( segid " A" and resid 138 and name HA )) (( segid " A" and resid 139 and name HB1 )) 4.600 2.700 1.400 peak 2994 spectrum 1 weight 0.10000E+01 volume 0.16379E-02 ppm1 3.762 ppm2 1.402 CV 1 OR { 2994} (( segid " A" and resid 138 and name HA )) (( segid " A" and resid 139 and name HG2 )) ASSI { 2995} (( segid " A" and resid 160 and name HA )) (( segid " A" and resid 139 and name HB1 )) 4.100 2.100 1.900 peak 2995 spectrum 1 weight 0.10000E+01 volume 0.12351E-02 ppm1 5.116 ppm2 1.405 CV 1 ASSI { 2996} (( segid " A" and resid 161 and name HA )) (( segid " A" and resid 139 and name HB1 )) 4.000 2.000 2.000 peak 2996 spectrum 1 weight 0.10000E+01 volume 0.18510E-02 ppm1 4.209 ppm2 1.401 CV 1 ASSI { 2998} (( segid " A" and resid 139 and name HB2 )) (( segid " A" and resid 139 and name HB1 )) 1.700 0.400 0.500 peak 2998 spectrum 1 weight 0.10000E+01 volume 0.20408E-01 ppm1 1.531 ppm2 1.405 CV 1 OR { 2998} (( segid " A" and resid 139 and name HB2 )) (( segid " A" and resid 139 and name HG2 )) ASSI { 2999} (( segid " A" and resid 177 and name HB1 )) ( segid " A" and resid 173 and name HE% ) 3.600 1.600 1.600 peak 2999 spectrum 1 weight 0.10000E+01 volume 0.32384E-02 ppm1 1.923 ppm2 1.398 CV 1 OR { 2999} (( segid " A" and resid 177 and name HB1 )) (( segid " A" and resid 178 and name HB2 )) ASSI { 3001} (( segid " A" and resid 246 and name HB )) (( segid " A" and resid 248 and name HG2 )) 3.200 1.200 1.200 peak 3001 spectrum 1 weight 0.10000E+01 volume 0.30636E-02 ppm1 4.284 ppm2 1.365 CV 1 OR { 3001} (( segid " A" and resid 246 and name HB )) (( segid " A" and resid 248 and name HG1 )) ASSI { 3002} (( segid " A" and resid 149 and name HB )) (( segid " A" and resid 151 and name HD1 )) 3.900 1.900 1.900 peak 3002 spectrum 1 weight 0.10000E+01 volume 0.20541E-02 ppm1 4.132 ppm2 1.392 CV 1 OR { 3002} (( segid " A" and resid 149 and name HB )) (( segid " A" and resid 151 and name HB1 )) ASSI { 3003} (( segid " A" and resid 139 and name HA )) (( segid " A" and resid 139 and name HB1 )) 2.700 0.900 0.900 peak 3003 spectrum 1 weight 0.10000E+01 volume 0.12801E-01 ppm1 4.320 ppm2 1.389 CV 1 OR { 3003} (( segid " A" and resid 139 and name HA )) (( segid " A" and resid 139 and name HG2 )) ASSI { 3004} (( segid " A" and resid 249 and name HA )) (( segid " A" and resid 242 and name HB2 )) 2.900 1.100 1.100 peak 3004 spectrum 1 weight 0.10000E+01 volume 0.54498E-02 ppm1 5.375 ppm2 1.366 CV 1 ASSI { 3005} (( segid " A" and resid 229 and name HB2 )) (( segid " A" and resid 226 and name HG2 )) 4.100 2.100 1.900 peak 3005 spectrum 1 weight 0.10000E+01 volume 0.13433E-02 ppm1 2.827 ppm2 1.376 CV 1 OR { 3005} (( segid " A" and resid 132 and name HB1 )) ( segid " A" and resid 169 and name HB% ) OR { 3005} (( segid " A" and resid 132 and name HB1 )) ( segid " A" and resid 173 and name HE% ) ASSI { 3006} (( segid " A" and resid 230 and name HG2 )) (( segid " A" and resid 226 and name HG2 )) 3.900 1.900 1.900 peak 3006 spectrum 1 weight 0.10000E+01 volume 0.17844E-02 ppm1 2.545 ppm2 1.381 CV 1 OR { 3006} (( segid " A" and resid 230 and name HG1 )) (( segid " A" and resid 226 and name HG2 )) ASSI { 3007} (( segid " A" and resid 161 and name HG2 )) (( segid " A" and resid 139 and name HG2 )) 3.600 1.600 1.600 peak 3007 spectrum 1 weight 0.10000E+01 volume 0.65809E-02 ppm1 2.244 ppm2 1.382 CV 1 OR { 3007} (( segid " A" and resid 258 and name HG1 )) (( segid " A" and resid 236 and name HG1 )) OR { 3007} (( segid " A" and resid 161 and name HG1 )) (( segid " A" and resid 139 and name HG2 )) OR { 3007} (( segid " A" and resid 258 and name HG1 )) (( segid " A" and resid 236 and name HG2 )) ASSI { 3008} (( segid " A" and resid 248 and name HB2 )) (( segid " A" and resid 248 and name HG1 )) 2.400 0.700 0.700 peak 3008 spectrum 1 weight 0.10000E+01 volume 0.14357E-01 ppm1 1.816 ppm2 1.376 CV 1 OR { 3008} (( segid " A" and resid 248 and name HB2 )) (( segid " A" and resid 248 and name HG2 )) OR { 3008} (( segid " A" and resid 113 and name HB1 )) (( segid " A" and resid 113 and name HG1 )) ASSI { 3009} (( segid " A" and resid 177 and name HB2 )) ( segid " A" and resid 173 and name HE% ) 2.500 0.800 0.800 peak 3009 spectrum 1 weight 0.10000E+01 volume 0.13366E-01 ppm1 1.785 ppm2 1.386 CV 1 OR { 3009} (( segid " A" and resid 256 and name HB2 )) (( segid " A" and resid 236 and name HG2 )) OR { 3009} (( segid " A" and resid 256 and name HB2 )) (( segid " A" and resid 236 and name HG1 )) ASSI { 3010} (( segid " A" and resid 280 and name HG )) (( segid " A" and resid 280 and name HB1 )) 3.700 1.700 1.700 peak 3010 spectrum 1 weight 0.10000E+01 volume 0.13433E-02 ppm1 2.231 ppm2 1.369 CV 1 ASSI { 3011} (( segid " A" and resid 139 and name HG1 )) (( segid " A" and resid 139 and name HG2 )) 1.500 0.300 0.700 peak 3011 spectrum 1 weight 0.10000E+01 volume 0.46167E-01 ppm1 1.296 ppm2 1.366 CV 1 ASSI { 3012} ( segid " A" and resid 235 and name HG2%) (( segid " A" and resid 226 and name HG2 )) 3.500 1.600 1.600 peak 3012 spectrum 1 weight 0.10000E+01 volume 0.41656E-02 ppm1 0.579 ppm2 1.380 CV 1 ASSI { 3013} (( segid " A" and resid 267 and name HA )) ( segid " A" and resid 266 and name HB% ) 3.800 1.800 1.800 peak 3013 spectrum 1 weight 0.10000E+01 volume 0.10645E-02 ppm1 3.432 ppm2 1.339 CV 1 ASSI { 3014} (( segid " A" and resid 269 and name HB1 )) ( segid " A" and resid 266 and name HB% ) 4.500 2.500 1.500 peak 3014 spectrum 1 weight 0.10000E+01 volume 0.22164E-02 ppm1 3.754 ppm2 1.334 CV 1 ASSI { 3015} (( segid " A" and resid 258 and name HA )) (( segid " A" and resid 236 and name HG1 )) 3.500 1.500 1.500 peak 3015 spectrum 1 weight 0.10000E+01 volume 0.42255E-02 ppm1 4.113 ppm2 1.351 CV 1 OR { 3015} (( segid " A" and resid 258 and name HA )) (( segid " A" and resid 236 and name HG2 )) ASSI { 3016} (( segid " A" and resid 170 and name HA )) ( segid " A" and resid 169 and name HB% ) 4.000 2.000 2.000 peak 3016 spectrum 1 weight 0.10000E+01 volume 0.11510E-02 ppm1 3.745 ppm2 1.350 CV 1 OR { 3016} (( segid " A" and resid 167 and name HA )) ( segid " A" and resid 169 and name HB% ) ASSI { 3017} (( segid " A" and resid 250 and name HA )) (( segid " A" and resid 250 and name HB1 )) 2.700 0.900 0.900 peak 3017 spectrum 1 weight 0.10000E+01 volume 0.57236E-02 ppm1 4.428 ppm2 1.354 CV 1 OR { 3017} (( segid " A" and resid 280 and name HA )) (( segid " A" and resid 280 and name HB1 )) OR { 3017} (( segid " A" and resid 250 and name HA )) (( segid " A" and resid 250 and name HG1 )) OR { 3017} (( segid " A" and resid 248 and name HA )) (( segid " A" and resid 248 and name HG2 )) ASSI { 3018} (( segid " A" and resid 241 and name HA )) (( segid " A" and resid 242 and name HB2 )) 4.300 2.300 1.700 peak 3018 spectrum 1 weight 0.10000E+01 volume 0.15714E-02 ppm1 4.148 ppm2 1.343 CV 1 OR { 3018} (( segid " A" and resid 241 and name HA )) (( segid " A" and resid 250 and name HG1 )) OR { 3018} (( segid " A" and resid 241 and name HA )) (( segid " A" and resid 242 and name HG2 )) ASSI { 3019} (( segid " A" and resid 247 and name HA2 )) (( segid " A" and resid 248 and name HG2 )) 4.500 2.500 1.500 peak 3019 spectrum 1 weight 0.10000E+01 volume 0.12318E-02 ppm1 4.229 ppm2 1.347 CV 1 OR { 3019} (( segid " A" and resid 247 and name HA2 )) (( segid " A" and resid 248 and name HG1 )) ASSI { 3020} (( segid " A" and resid 247 and name HA1 )) (( segid " A" and resid 248 and name HG2 )) 3.900 1.900 1.900 peak 3020 spectrum 1 weight 0.10000E+01 volume 0.12701E-02 ppm1 3.776 ppm2 1.361 CV 1 OR { 3020} (( segid " A" and resid 247 and name HA1 )) (( segid " A" and resid 248 and name HG1 )) ASSI { 3021} (( segid " A" and resid 243 and name HB1 )) (( segid " A" and resid 242 and name HB2 )) 3.900 1.900 1.900 peak 3021 spectrum 1 weight 0.10000E+01 volume 0.24569E-02 ppm1 3.162 ppm2 1.358 CV 1 OR { 3021} (( segid " A" and resid 243 and name HB1 )) (( segid " A" and resid 242 and name HG2 )) OR { 3021} (( segid " A" and resid 243 and name HB1 )) (( segid " A" and resid 250 and name HG1 )) OR { 3021} (( segid " A" and resid 243 and name HB1 )) (( segid " A" and resid 248 and name HG2 )) OR { 3021} (( segid " A" and resid 243 and name HB1 )) (( segid " A" and resid 248 and name HG1 )) ASSI { 3022} (( segid " A" and resid 243 and name HB2 )) (( segid " A" and resid 242 and name HB2 )) 3.800 1.800 1.800 peak 3022 spectrum 1 weight 0.10000E+01 volume 0.20041E-02 ppm1 2.418 ppm2 1.351 CV 1 OR { 3022} (( segid " A" and resid 243 and name HB2 )) (( segid " A" and resid 242 and name HG2 )) OR { 3022} (( segid " A" and resid 243 and name HB2 )) (( segid " A" and resid 250 and name HG1 )) OR { 3022} (( segid " A" and resid 243 and name HB2 )) (( segid " A" and resid 248 and name HG2 )) ASSI { 3023} (( segid " A" and resid 232 and name HB1 )) ( segid " A" and resid 266 and name HB% ) 4.100 2.100 1.900 peak 3023 spectrum 1 weight 0.10000E+01 volume 0.19450E-02 ppm1 3.474 ppm2 1.338 CV 1 ASSI { 3024} (( segid " A" and resid 232 and name HB2 )) ( segid " A" and resid 266 and name HB% ) 3.300 1.400 1.400 peak 3024 spectrum 1 weight 0.10000E+01 volume 0.19833E-02 ppm1 2.642 ppm2 1.337 CV 1 ASSI { 3025} (( segid " A" and resid 229 and name HB1 )) ( segid " A" and resid 266 and name HB% ) 4.200 2.200 1.800 peak 3025 spectrum 1 weight 0.10000E+01 volume 0.93299E-03 ppm1 3.532 ppm2 1.347 CV 1 ASSI { 3026} (( segid " A" and resid 258 and name HG2 )) (( segid " A" and resid 236 and name HG1 )) 2.900 1.100 1.100 peak 3026 spectrum 1 weight 0.10000E+01 volume 0.44935E-02 ppm1 2.140 ppm2 1.357 CV 1 OR { 3026} (( segid " A" and resid 258 and name HG2 )) (( segid " A" and resid 236 and name HG2 )) ASSI { 3027} (( segid " A" and resid 250 and name HB2 )) (( segid " A" and resid 250 and name HB1 )) 1.900 0.500 0.500 peak 3027 spectrum 1 weight 0.10000E+01 volume 0.70727E-02 ppm1 2.458 ppm2 1.353 CV 1 ASSI { 3028} (( segid " A" and resid 236 and name HB1 )) (( segid " A" and resid 236 and name HG2 )) 2.300 0.700 0.700 peak 3028 spectrum 1 weight 0.10000E+01 volume 0.13108E-01 ppm1 1.711 ppm2 1.356 CV 1 OR { 3028} (( segid " A" and resid 236 and name HB1 )) (( segid " A" and resid 236 and name HG1 )) ASSI { 3029} (( segid " A" and resid 242 and name HB1 )) (( segid " A" and resid 242 and name HB2 )) 1.800 0.400 0.400 peak 3029 spectrum 1 weight 0.10000E+01 volume 0.24469E-01 ppm1 1.630 ppm2 1.362 CV 1 OR { 3029} (( segid " A" and resid 248 and name HB1 )) (( segid " A" and resid 248 and name HG2 )) OR { 3029} (( segid " A" and resid 242 and name HB1 )) (( segid " A" and resid 242 and name HG2 )) OR { 3029} (( segid " A" and resid 248 and name HB1 )) (( segid " A" and resid 248 and name HG1 )) ASSI { 3030} (( segid " A" and resid 236 and name HB2 )) (( segid " A" and resid 236 and name HG1 )) 2.200 0.600 0.600 peak 3030 spectrum 1 weight 0.10000E+01 volume 0.18477E-01 ppm1 1.467 ppm2 1.361 CV 1 OR { 3030} (( segid " A" and resid 236 and name HB2 )) (( segid " A" and resid 236 and name HG2 )) ASSI { 3031} (( segid " A" and resid 256 and name HB1 )) (( segid " A" and resid 236 and name HG2 )) 4.100 2.100 1.900 peak 3031 spectrum 1 weight 0.10000E+01 volume 0.15056E-02 ppm1 2.168 ppm2 1.354 CV 1 OR { 3031} (( segid " A" and resid 256 and name HB1 )) (( segid " A" and resid 236 and name HG1 )) ASSI { 3032} (( segid " A" and resid 249 and name HB1 )) (( segid " A" and resid 242 and name HB2 )) 3.800 1.800 1.800 peak 3032 spectrum 1 weight 0.10000E+01 volume 0.13533E-02 ppm1 3.288 ppm2 1.347 CV 1 OR { 3032} (( segid " A" and resid 249 and name HB1 )) (( segid " A" and resid 242 and name HG2 )) OR { 3032} (( segid " A" and resid 249 and name HB1 )) (( segid " A" and resid 250 and name HG1 )) ASSI { 3033} (( segid " A" and resid 258 and name HB2 )) (( segid " A" and resid 236 and name HG1 )) 4.200 2.200 1.800 peak 3033 spectrum 1 weight 0.10000E+01 volume 0.38202E-02 ppm1 1.968 ppm2 1.359 CV 1 OR { 3033} (( segid " A" and resid 258 and name HB2 )) (( segid " A" and resid 236 and name HG2 )) ASSI { 3034} (( segid " A" and resid 250 and name HD2 )) (( segid " A" and resid 250 and name HG1 )) 2.400 0.700 0.700 peak 3034 spectrum 1 weight 0.10000E+01 volume 0.73191E-02 ppm1 1.811 ppm2 1.352 CV 1 OR { 3034} (( segid " A" and resid 250 and name HD2 )) (( segid " A" and resid 250 and name HB1 )) ASSI { 3035} ( segid " A" and resid 280 and name HD2%) (( segid " A" and resid 280 and name HB1 )) 2.500 0.800 0.800 peak 3035 spectrum 1 weight 0.10000E+01 volume 0.71768E-02 ppm1 0.870 ppm2 1.352 CV 1 ASSI { 3036} ( segid " A" and resid 267 and name HG2%) ( segid " A" and resid 266 and name HB% ) 2.700 0.900 0.900 peak 3036 spectrum 1 weight 0.10000E+01 volume 0.12201E-01 ppm1 1.006 ppm2 1.357 CV 1 ASSI { 3037} ( segid " A" and resid 114 and name HG2%) ( segid " A" and resid 169 and name HB% ) 2.300 2.300 3.700 peak 3037 spectrum 1 weight 0.10000E+01 volume 0.23271E-01 ppm1 0.932 ppm2 1.345 CV 1 ASSI { 3038} ( segid " A" and resid 241 and name HB% ) (( segid " A" and resid 250 and name HB1 )) 3.100 1.200 1.200 peak 3038 spectrum 1 weight 0.10000E+01 volume 0.63828E-02 ppm1 0.776 ppm2 1.348 CV 1 OR { 3038} ( segid " A" and resid 241 and name HB% ) (( segid " A" and resid 250 and name HG1 )) ASSI { 3039} ( segid " A" and resid 270 and name HE% ) (( segid " A" and resid 280 and name HB1 )) 3.400 1.400 1.400 peak 3039 spectrum 1 weight 0.10000E+01 volume 0.24802E-02 ppm1 0.598 ppm2 1.344 CV 1 ASSI { 3040} (( segid " A" and resid 149 and name HB )) (( segid " A" and resid 151 and name HD2 )) 3.700 1.700 1.700 peak 3040 spectrum 1 weight 0.10000E+01 volume 0.20116E-02 ppm1 4.136 ppm2 1.313 CV 1 ASSI { 3043} (( segid " A" and resid 130 and name HB2 )) ( segid " A" and resid 127 and name HG2%) 3.600 1.600 1.600 peak 3043 spectrum 1 weight 0.10000E+01 volume 0.24902E-02 ppm1 2.173 ppm2 1.329 CV 1 OR { 3043} (( segid " A" and resid 130 and name HB1 )) ( segid " A" and resid 127 and name HG2%) ASSI { 3044} (( segid " A" and resid 161 and name HA )) (( segid " A" and resid 139 and name HG1 )) 4.900 3.000 1.100 peak 3044 spectrum 1 weight 0.10000E+01 volume 0.79400E-03 ppm1 4.212 ppm2 1.292 CV 1 ASSI { 3045} (( segid " A" and resid 251 and name HA1 )) (( segid " A" and resid 216 and name HB )) 4.200 2.200 1.800 peak 3045 spectrum 1 weight 0.10000E+01 volume 0.16970E-02 ppm1 4.298 ppm2 1.290 CV 1 ASSI { 3046} (( segid " A" and resid 251 and name HA2 )) (( segid " A" and resid 216 and name HB )) 3.100 1.200 1.200 peak 3046 spectrum 1 weight 0.10000E+01 volume 0.17986E-02 ppm1 4.188 ppm2 1.296 CV 1 ASSI { 3047} (( segid " A" and resid 124 and name HA1 )) ( segid " A" and resid 143 and name HE% ) 4.500 2.600 1.500 peak 3047 spectrum 1 weight 0.10000E+01 volume 0.11893E-02 ppm1 3.925 ppm2 1.279 CV 1 ASSI { 3048} ( segid " A" and resid 240 and name HD2%) (( segid " A" and resid 216 and name HB )) 3.400 1.400 1.400 peak 3048 spectrum 1 weight 0.10000E+01 volume 0.38010E-02 ppm1 0.110 ppm2 1.287 CV 1 OR { 3048} ( segid " A" and resid 240 and name HD2%) (( segid " A" and resid 220 and name HB2 )) ASSI { 3049} ( segid " A" and resid 165 and name HB% ) ( segid " A" and resid 214 and name HB% ) 3.900 1.900 1.900 peak 3049 spectrum 1 weight 0.10000E+01 volume 0.15480E-02 ppm1 0.658 ppm2 1.287 CV 1 ASSI { 3050} ( segid " A" and resid 225 and name HD1%) (( segid " A" and resid 220 and name HB2 )) 3.400 1.500 1.500 peak 3050 spectrum 1 weight 0.10000E+01 volume 0.30303E-02 ppm1 0.633 ppm2 1.276 CV 1 OR { 3050} ( segid " A" and resid 225 and name HD1%) (( segid " A" and resid 213 and name HB )) ASSI { 3051} (( segid " A" and resid 215 and name HA )) ( segid " A" and resid 214 and name HB% ) 4.200 2.200 1.800 peak 3051 spectrum 1 weight 0.10000E+01 volume 0.36829E-02 ppm1 3.848 ppm2 1.263 CV 1 OR { 3051} (( segid " A" and resid 119 and name HA )) ( segid " A" and resid 143 and name HE% ) ASSI { 3052} (( segid " A" and resid 282 and name HA )) (( segid " A" and resid 213 and name HB )) 3.900 1.900 1.900 peak 3052 spectrum 1 weight 0.10000E+01 volume 0.18527E-02 ppm1 5.389 ppm2 1.256 CV 1 ASSI { 3053} (( segid " A" and resid 223 and name HA )) (( segid " A" and resid 226 and name HG1 )) 5.000 3.100 1.000 peak 3053 spectrum 1 weight 0.10000E+01 volume 0.92883E-03 ppm1 4.396 ppm2 1.266 CV 1 OR { 3053} (( segid " A" and resid 224 and name HA )) (( segid " A" and resid 220 and name HB2 )) ASSI { 3056} (( segid " A" and resid 136 and name HA1 )) ( segid " A" and resid 214 and name HB% ) 4.000 2.000 2.000 peak 3056 spectrum 1 weight 0.10000E+01 volume 0.14748E-02 ppm1 3.950 ppm2 1.270 CV 1 ASSI { 3057} (( segid " A" and resid 235 and name HB )) (( segid " A" and resid 226 and name HG1 )) 3.400 1.400 1.400 peak 3057 spectrum 1 weight 0.10000E+01 volume 0.14748E-02 ppm1 1.638 ppm2 1.258 CV 1 ASSI { 3058} ( segid " A" and resid 168 and name HD2%) ( segid " A" and resid 214 and name HB% ) 3.000 1.100 1.100 peak 3058 spectrum 1 weight 0.10000E+01 volume 0.60424E-02 ppm1 1.025 ppm2 1.258 CV 1 ASSI { 3059} ( segid " A" and resid 168 and name HD1%) ( segid " A" and resid 214 and name HB% ) 4.000 2.000 2.000 peak 3059 spectrum 1 weight 0.10000E+01 volume 0.26675E-02 ppm1 0.910 ppm2 1.270 CV 1 ASSI { 3060} ( segid " A" and resid 225 and name HG2%) (( segid " A" and resid 213 and name HB )) 3.700 1.700 1.700 peak 3060 spectrum 1 weight 0.10000E+01 volume 0.36163E-02 ppm1 0.636 ppm2 1.250 CV 1 OR { 3060} ( segid " A" and resid 225 and name HG2%) (( segid " A" and resid 255 and name HB )) ASSI { 3061} ( segid " A" and resid 235 and name HG2%) (( segid " A" and resid 226 and name HG1 )) 2.200 2.200 3.800 peak 3061 spectrum 1 weight 0.10000E+01 volume 0.46541E-02 ppm1 0.577 ppm2 1.250 CV 1 ASSI { 3062} ( segid " A" and resid 235 and name HD1%) (( segid " A" and resid 226 and name HG1 )) 2.200 0.600 0.600 peak 3062 spectrum 1 weight 0.10000E+01 volume 0.64019E-02 ppm1 0.704 ppm2 1.251 CV 1 ASSI { 3063} (( segid " A" and resid 191 and name HA )) (( segid " A" and resid 191 and name HG11)) 3.500 1.500 1.500 peak 3063 spectrum 1 weight 0.10000E+01 volume 0.36496E-02 ppm1 4.026 ppm2 1.243 CV 1 ASSI { 3064} (( segid " A" and resid 254 and name HA )) (( segid " A" and resid 211 and name HG12)) 4.000 2.000 2.000 peak 3064 spectrum 1 weight 0.10000E+01 volume 0.15555E-02 ppm1 5.767 ppm2 1.239 CV 1 OR { 3064} (( segid " A" and resid 254 and name HA )) (( segid " A" and resid 255 and name HB )) ASSI { 3065} (( segid " A" and resid 229 and name HB2 )) (( segid " A" and resid 226 and name HG1 )) 4.600 2.600 1.400 peak 3065 spectrum 1 weight 0.10000E+01 volume 0.89887E-03 ppm1 2.829 ppm2 1.242 CV 1 OR { 3065} (( segid " A" and resid 229 and name HB2 )) (( segid " A" and resid 255 and name HB )) OR { 3065} (( segid " A" and resid 121 and name HB2 )) (( segid " A" and resid 151 and name HG2 )) ASSI { 3066} ( segid " A" and resid 110 and name HG2%) (( segid " A" and resid 198 and name HG11)) 3.700 1.700 1.700 peak 3066 spectrum 1 weight 0.10000E+01 volume 0.28073E-02 ppm1 0.841 ppm2 1.238 CV 1 ASSI { 3067} (( segid " A" and resid 127 and name HB )) (( segid " A" and resid 128 and name HG12)) 3.700 1.700 1.700 peak 3067 spectrum 1 weight 0.10000E+01 volume 0.13133E-02 ppm1 4.178 ppm2 1.205 CV 1 OR { 3067} (( segid " A" and resid 127 and name HB )) (( segid " A" and resid 128 and name HG11)) ASSI { 3068} (( segid " A" and resid 128 and name HA )) (( segid " A" and resid 128 and name HG12)) 3.100 1.200 1.200 peak 3068 spectrum 1 weight 0.10000E+01 volume 0.39192E-02 ppm1 3.728 ppm2 1.202 CV 1 OR { 3068} (( segid " A" and resid 128 and name HA )) (( segid " A" and resid 128 and name HG11)) ASSI { 3069} (( segid " A" and resid 243 and name HB1 )) ( segid " A" and resid 246 and name HG2%) 3.700 1.700 1.700 peak 3069 spectrum 1 weight 0.10000E+01 volume 0.12684E-02 ppm1 3.165 ppm2 1.196 CV 1 ASSI { 3070} (( segid " A" and resid 243 and name HB2 )) ( segid " A" and resid 246 and name HG2%) 3.700 1.700 1.700 peak 3070 spectrum 1 weight 0.10000E+01 volume 0.80315E-03 ppm1 2.417 ppm2 1.189 CV 1 ASSI { 3071} (( segid " A" and resid 111 and name HG2 )) (( segid " A" and resid 198 and name HG11)) 4.500 2.500 1.500 peak 3071 spectrum 1 weight 0.10000E+01 volume 0.11444E-02 ppm1 2.606 ppm2 1.203 CV 1 OR { 3071} (( segid " A" and resid 111 and name HG1 )) (( segid " A" and resid 198 and name HG11)) ASSI { 3072} ( segid " A" and resid 128 and name HG2%) (( segid " A" and resid 128 and name HG11)) 2.500 0.800 0.800 peak 3072 spectrum 1 weight 0.10000E+01 volume 0.10445E-01 ppm1 0.543 ppm2 1.206 CV 1 OR { 3072} ( segid " A" and resid 128 and name HG2%) (( segid " A" and resid 128 and name HG12)) ASSI { 3073} ( segid " A" and resid 111 and name HE% ) (( segid " A" and resid 198 and name HG11)) 4.000 2.000 2.000 peak 3073 spectrum 1 weight 0.10000E+01 volume 0.36313E-02 ppm1 1.970 ppm2 1.196 CV 1 ASSI { 3074} ( segid " A" and resid 128 and name HD1%) (( segid " A" and resid 128 and name HG12)) 2.100 0.500 0.500 peak 3074 spectrum 1 weight 0.10000E+01 volume 0.15431E-01 ppm1 0.490 ppm2 1.207 CV 1 OR { 3074} ( segid " A" and resid 128 and name HD1%) (( segid " A" and resid 128 and name HG11)) ASSI { 3075} (( segid " A" and resid 222 and name HA )) (( segid " A" and resid 240 and name HG )) 2.500 0.800 0.800 peak 3075 spectrum 1 weight 0.10000E+01 volume 0.43928E-02 ppm1 3.738 ppm2 1.161 CV 1 ASSI { 3076} (( segid " A" and resid 254 and name HB2 )) ( segid " A" and resid 239 and name HG2%) 4.000 2.000 2.000 peak 3076 spectrum 1 weight 0.10000E+01 volume 0.91218E-03 ppm1 2.753 ppm2 1.176 CV 1 OR { 3076} (( segid " A" and resid 254 and name HB1 )) ( segid " A" and resid 239 and name HG2%) ASSI { 3077} (( segid " A" and resid 242 and name HD2 )) ( segid " A" and resid 246 and name HG2%) 3.800 3.800 2.200 peak 3077 spectrum 1 weight 0.10000E+01 volume 0.11394E-02 ppm1 3.043 ppm2 1.172 CV 1 ASSI { 3078} (( segid " A" and resid 222 and name HB1 )) (( segid " A" and resid 240 and name HG )) 3.400 1.400 1.400 peak 3078 spectrum 1 weight 0.10000E+01 volume 0.16213E-02 ppm1 2.616 ppm2 1.169 CV 1 OR { 3078} (( segid " A" and resid 222 and name HB2 )) (( segid " A" and resid 240 and name HG )) ASSI { 3079} ( segid " A" and resid 241 and name HB% ) ( segid " A" and resid 239 and name HG2%) 3.900 1.900 1.900 peak 3079 spectrum 1 weight 0.10000E+01 volume 0.23795E-02 ppm1 0.774 ppm2 1.174 CV 1 OR { 3079} ( segid " A" and resid 241 and name HB% ) (( segid " A" and resid 240 and name HG )) ASSI { 3080} (( segid " A" and resid 206 and name HA )) ( segid " A" and resid 205 and name HB% ) 3.600 1.600 1.600 peak 3080 spectrum 1 weight 0.10000E+01 volume 0.31435E-02 ppm1 4.197 ppm2 1.151 CV 1 OR { 3080} (( segid " A" and resid 206 and name HA )) ( segid " A" and resid 207 and name HB% ) ASSI { 3083} (( segid " A" and resid 204 and name HG1 )) ( segid " A" and resid 205 and name HB% ) 5.000 3.200 1.000 peak 3083 spectrum 1 weight 0.10000E+01 volume 0.10079E-02 ppm1 2.303 ppm2 1.150 CV 1 OR { 3083} (( segid " A" and resid 204 and name HG1 )) ( segid " A" and resid 207 and name HB% ) ASSI { 3084} (( segid " A" and resid 204 and name HB1 )) ( segid " A" and resid 205 and name HB% ) 4.500 2.500 1.500 peak 3084 spectrum 1 weight 0.10000E+01 volume 0.86474E-03 ppm1 2.078 ppm2 1.145 CV 1 OR { 3084} (( segid " A" and resid 204 and name HB1 )) ( segid " A" and resid 207 and name HB% ) ASSI { 3085} (( segid " A" and resid 206 and name HB2 )) ( segid " A" and resid 207 and name HB% ) 3.600 1.600 1.600 peak 3085 spectrum 1 weight 0.10000E+01 volume 0.37727E-02 ppm1 1.993 ppm2 1.151 CV 1 OR { 3085} (( segid " A" and resid 206 and name HB1 )) ( segid " A" and resid 207 and name HB% ) OR { 3085} (( segid " A" and resid 206 and name HB2 )) ( segid " A" and resid 205 and name HB% ) OR { 3085} (( segid " A" and resid 288 and name HB1 )) ( segid " A" and resid 205 and name HB% ) ASSI { 3086} (( segid " A" and resid 203 and name HB2 )) ( segid " A" and resid 205 and name HB% ) 4.500 2.500 1.500 peak 3086 spectrum 1 weight 0.10000E+01 volume 0.10362E-02 ppm1 2.190 ppm2 1.142 CV 1 OR { 3086} (( segid " A" and resid 203 and name HB1 )) ( segid " A" and resid 205 and name HB% ) OR { 3086} (( segid " A" and resid 203 and name HB1 )) ( segid " A" and resid 207 and name HB% ) OR { 3086} (( segid " A" and resid 203 and name HB2 )) ( segid " A" and resid 207 and name HB% ) ASSI { 3087} (( segid " A" and resid 206 and name HG2 )) ( segid " A" and resid 205 and name HB% ) 4.200 2.200 1.800 peak 3087 spectrum 1 weight 0.10000E+01 volume 0.14698E-02 ppm1 1.755 ppm2 1.153 CV 1 OR { 3087} (( segid " A" and resid 206 and name HG2 )) ( segid " A" and resid 207 and name HB% ) ASSI { 3088} ( segid " A" and resid 285 and name HB% ) ( segid " A" and resid 205 and name HB% ) 2.900 1.000 1.000 peak 3088 spectrum 1 weight 0.10000E+01 volume 0.51352E-02 ppm1 1.525 ppm2 1.151 CV 1 ASSI { 3089} ( segid " A" and resid 202 and name HB% ) ( segid " A" and resid 205 and name HB% ) 3.600 1.600 1.600 peak 3089 spectrum 1 weight 0.10000E+01 volume 0.42863E-02 ppm1 1.569 ppm2 1.151 CV 1 ASSI { 3092} (( segid " A" and resid 210 and name HA )) (( segid " A" and resid 211 and name HG11)) 4.900 3.100 1.100 peak 3092 spectrum 1 weight 0.10000E+01 volume 0.93133E-03 ppm1 5.735 ppm2 1.077 CV 1 ASSI { 3093} (( segid " A" and resid 276 and name HA1 )) ( segid " A" and resid 275 and name HD1%) 3.500 1.500 1.500 peak 3093 spectrum 1 weight 0.10000E+01 volume 0.97710E-03 ppm1 3.655 ppm2 1.089 CV 1 OR { 3093} (( segid " A" and resid 276 and name HA2 )) ( segid " A" and resid 275 and name HD1%) OR { 3093} (( segid " A" and resid 276 and name HA1 )) ( segid " A" and resid 280 and name HD1%) OR { 3093} (( segid " A" and resid 276 and name HA2 )) ( segid " A" and resid 280 and name HD1%) ASSI { 3094} (( segid " A" and resid 201 and name HB2 )) ( segid " A" and resid 287 and name HG2%) 3.800 1.800 1.800 peak 3094 spectrum 1 weight 0.10000E+01 volume 0.11411E-02 ppm1 2.142 ppm2 1.085 CV 1 ASSI { 3095} (( segid " A" and resid 201 and name HB1 )) ( segid " A" and resid 287 and name HG2%) 3.100 1.200 1.200 peak 3095 spectrum 1 weight 0.10000E+01 volume 0.20566E-02 ppm1 1.429 ppm2 1.090 CV 1 ASSI { 3096} (( segid " A" and resid 148 and name HB )) ( segid " A" and resid 149 and name HG2%) 3.100 1.200 1.200 peak 3096 spectrum 1 weight 0.10000E+01 volume 0.38485E-02 ppm1 2.245 ppm2 1.093 CV 1 ASSI { 3098} ( segid " A" and resid 201 and name HD1%) ( segid " A" and resid 287 and name HG2%) 2.600 0.800 0.800 peak 3098 spectrum 1 weight 0.10000E+01 volume 0.82171E-02 ppm1 0.797 ppm2 1.084 CV 1 ASSI { 3099} ( segid " A" and resid 286 and name HG2%) ( segid " A" and resid 287 and name HG2%) 2.200 0.600 0.600 peak 3099 spectrum 1 weight 0.10000E+01 volume 0.16438E-01 ppm1 0.558 ppm2 1.086 CV 1 ASSI { 3101} (( segid " A" and resid 164 and name HA )) ( segid " A" and resid 287 and name HG2%) 5.400 3.600 0.600 peak 3101 spectrum 1 weight 0.10000E+01 volume 0.76320E-03 ppm1 3.315 ppm2 1.069 CV 1 OR { 3101} (( segid " A" and resid 164 and name HA )) ( segid " A" and resid 162 and name HG1%) ASSI { 3102} (( segid " A" and resid 254 and name HA )) (( segid " A" and resid 255 and name HG11)) 3.300 1.400 1.400 peak 3102 spectrum 1 weight 0.10000E+01 volume 0.13966E-02 ppm1 5.768 ppm2 1.047 CV 1 OR { 3102} (( segid " A" and resid 254 and name HA )) (( segid " A" and resid 211 and name HG11)) ASSI { 3103} (( segid " A" and resid 280 and name HB2 )) ( segid " A" and resid 280 and name HD1%) 2.500 0.800 0.800 peak 3103 spectrum 1 weight 0.10000E+01 volume 0.55563E-02 ppm1 2.315 ppm2 1.057 CV 1 ASSI { 3104} (( segid " A" and resid 280 and name HB1 )) ( segid " A" and resid 280 and name HD1%) 2.700 0.900 0.900 peak 3104 spectrum 1 weight 0.10000E+01 volume 0.56237E-02 ppm1 1.361 ppm2 1.048 CV 1 ASSI { 3105} (( segid " A" and resid 273 and name HB1 )) ( segid " A" and resid 280 and name HD1%) 3.000 1.100 1.100 peak 3105 spectrum 1 weight 0.10000E+01 volume 0.21623E-02 ppm1 3.158 ppm2 1.068 CV 1 OR { 3105} (( segid " A" and resid 273 and name HB1 )) ( segid " A" and resid 228 and name HG1%) ASSI { 3106} (( segid " A" and resid 161 and name HG1 )) ( segid " A" and resid 162 and name HG1%) 3.800 1.900 1.900 peak 3106 spectrum 1 weight 0.10000E+01 volume 0.21290E-02 ppm1 2.255 ppm2 1.051 CV 1 OR { 3106} (( segid " A" and resid 171 and name HG1 )) ( segid " A" and resid 168 and name HD2%) ASSI { 3107} (( segid " A" and resid 216 and name HB )) (( segid " A" and resid 225 and name HG11)) 4.800 2.900 1.200 peak 3107 spectrum 1 weight 0.10000E+01 volume 0.82729E-03 ppm1 1.297 ppm2 1.061 CV 1 OR { 3107} (( segid " A" and resid 216 and name HB )) ( segid " A" and resid 280 and name HD1%) ASSI { 3108} ( segid " A" and resid 280 and name HD2%) ( segid " A" and resid 280 and name HD1%) 2.000 0.500 0.500 peak 3108 spectrum 1 weight 0.10000E+01 volume 0.28714E-01 ppm1 0.870 ppm2 1.057 CV 1 ASSI { 3109} ( segid " A" and resid 240 and name HD2%) (( segid " A" and resid 225 and name HG11)) 2.300 0.600 0.600 peak 3109 spectrum 1 weight 0.10000E+01 volume 0.58343E-02 ppm1 0.109 ppm2 1.062 CV 1 ASSI { 3111} ( segid " A" and resid 270 and name HE% ) ( segid " A" and resid 228 and name HG1%) 2.000 0.500 0.500 peak 3111 spectrum 1 weight 0.10000E+01 volume 0.24020E-01 ppm1 0.598 ppm2 1.062 CV 1 ASSI { 3113} (( segid " A" and resid 266 and name HA )) ( segid " A" and resid 267 and name HG2%) 4.400 2.400 1.600 peak 3113 spectrum 1 weight 0.10000E+01 volume 0.16754E-02 ppm1 2.332 ppm2 1.019 CV 1 OR { 3113} (( segid " A" and resid 266 and name HA )) ( segid " A" and resid 282 and name HG2%) ASSI { 3114} (( segid " A" and resid 173 and name HA )) ( segid " A" and resid 185 and name HG2%) 3.200 1.300 1.300 peak 3114 spectrum 1 weight 0.10000E+01 volume 0.69879E-02 ppm1 5.043 ppm2 1.024 CV 1 OR { 3114} (( segid " A" and resid 173 and name HA )) ( segid " A" and resid 185 and name HG1%) ASSI { 3115} (( segid " A" and resid 165 and name HA )) ( segid " A" and resid 168 and name HD2%) 3.000 1.100 1.100 peak 3115 spectrum 1 weight 0.10000E+01 volume 0.24502E-02 ppm1 3.653 ppm2 1.025 CV 1 ASSI { 3116} (( segid " A" and resid 212 and name HB2 )) ( segid " A" and resid 168 and name HD2%) 5.400 3.700 0.600 peak 3116 spectrum 1 weight 0.10000E+01 volume 0.88056E-03 ppm1 2.518 ppm2 1.029 CV 1 OR { 3116} (( segid " A" and resid 212 and name HB2 )) ( segid " A" and resid 282 and name HG2%) ASSI { 3117} (( segid " A" and resid 135 and name HB1 )) ( segid " A" and resid 168 and name HD2%) 3.800 1.800 1.800 peak 3117 spectrum 1 weight 0.10000E+01 volume 0.73158E-03 ppm1 3.459 ppm2 1.027 CV 1 ASSI { 3118} (( segid " A" and resid 213 and name HB )) ( segid " A" and resid 282 and name HG2%) 3.500 1.500 1.500 peak 3118 spectrum 1 weight 0.10000E+01 volume 0.52159E-02 ppm1 1.248 ppm2 1.030 CV 1 OR { 3118} (( segid " A" and resid 213 and name HB )) ( segid " A" and resid 282 and name HG1%) OR { 3118} (( segid " A" and resid 213 and name HB )) (( segid " A" and resid 225 and name HG11)) OR { 3118} (( segid " A" and resid 213 and name HB )) (( segid " A" and resid 255 and name HG11)) ASSI { 3119} (( segid " A" and resid 270 and name HG1 )) ( segid " A" and resid 228 and name HG1%) 4.100 2.100 1.900 peak 3119 spectrum 1 weight 0.10000E+01 volume 0.20299E-02 ppm1 1.645 ppm2 1.032 CV 1 OR { 3119} (( segid " A" and resid 270 and name HG1 )) ( segid " A" and resid 282 and name HG1%) OR { 3119} (( segid " A" and resid 270 and name HG1 )) ( segid " A" and resid 282 and name HG2%) ASSI { 3120} (( segid " A" and resid 270 and name HB2 )) ( segid " A" and resid 282 and name HG1%) 2.800 1.000 1.000 peak 3120 spectrum 1 weight 0.10000E+01 volume 0.44935E-02 ppm1 1.976 ppm2 1.030 CV 1 OR { 3120} (( segid " A" and resid 270 and name HB2 )) ( segid " A" and resid 282 and name HG2%) OR { 3120} (( segid " A" and resid 270 and name HB2 )) ( segid " A" and resid 228 and name HG1%) ASSI { 3122} ( segid " A" and resid 213 and name HG1%) ( segid " A" and resid 282 and name HG2%) 2.000 0.500 0.500 peak 3122 spectrum 1 weight 0.10000E+01 volume 0.27574E-01 ppm1 0.384 ppm2 1.037 CV 1 OR { 3122} ( segid " A" and resid 213 and name HG1%) ( segid " A" and resid 282 and name HG1%) OR { 3122} ( segid " A" and resid 213 and name HG1%) (( segid " A" and resid 211 and name HG11)) OR { 3122} ( segid " A" and resid 213 and name HG1%) ( segid " A" and resid 267 and name HG2%) OR { 3122} ( segid " A" and resid 216 and name HG2%) (( segid " A" and resid 225 and name HG11)) ASSI { 3123} ( segid " A" and resid 213 and name HG2%) (( segid " A" and resid 225 and name HG11)) 2.400 0.700 0.700 peak 3123 spectrum 1 weight 0.10000E+01 volume 0.19900E-01 ppm1 0.442 ppm2 1.035 CV 1 OR { 3123} ( segid " A" and resid 213 and name HG2%) ( segid " A" and resid 282 and name HG2%) OR { 3123} ( segid " A" and resid 213 and name HG2%) (( segid " A" and resid 255 and name HG11)) OR { 3123} ( segid " A" and resid 213 and name HG2%) ( segid " A" and resid 280 and name HD1%) ASSI { 3124} ( segid " A" and resid 173 and name HE% ) ( segid " A" and resid 185 and name HG1%) 2.500 0.800 0.800 peak 3124 spectrum 1 weight 0.10000E+01 volume 0.16396E-01 ppm1 1.395 ppm2 1.018 CV 1 OR { 3124} ( segid " A" and resid 173 and name HE% ) ( segid " A" and resid 185 and name HG2%) ASSI { 3125} ( segid " A" and resid 110 and name HD1%) (( segid " A" and resid 110 and name HG12)) 2.200 0.600 0.600 peak 3125 spectrum 1 weight 0.10000E+01 volume 0.16263E-01 ppm1 0.736 ppm2 1.031 CV 1 ASSI { 3126} (( segid " A" and resid 264 and name HA )) ( segid " A" and resid 267 and name HG2%) 2.800 1.000 1.000 peak 3126 spectrum 1 weight 0.10000E+01 volume 0.55971E-02 ppm1 3.935 ppm2 0.988 CV 1 OR { 3126} (( segid " A" and resid 264 and name HA )) ( segid " A" and resid 267 and name HG1%) OR { 3126} (( segid " A" and resid 264 and name HA )) ( segid " A" and resid 211 and name HG2%) ASSI { 3127} (( segid " A" and resid 170 and name HA )) ( segid " A" and resid 185 and name HG1%) 2.400 0.700 0.700 peak 3127 spectrum 1 weight 0.10000E+01 volume 0.10453E-01 ppm1 3.750 ppm2 0.992 CV 1 OR { 3127} (( segid " A" and resid 170 and name HA )) ( segid " A" and resid 185 and name HG2%) ASSI { 3128} (( segid " A" and resid 271 and name HA )) ( segid " A" and resid 282 and name HG1%) 2.800 1.000 1.000 peak 3128 spectrum 1 weight 0.10000E+01 volume 0.34515E-02 ppm1 4.439 ppm2 0.995 CV 1 OR { 3128} (( segid " A" and resid 284 and name HA )) ( segid " A" and resid 211 and name HG2%) OR { 3128} (( segid " A" and resid 271 and name HA )) ( segid " A" and resid 267 and name HG1%) ASSI { 3129} (( segid " A" and resid 210 and name HA )) ( segid " A" and resid 211 and name HG2%) 3.800 1.800 1.800 peak 3129 spectrum 1 weight 0.10000E+01 volume 0.93715E-03 ppm1 5.739 ppm2 0.983 CV 1 ASSI { 3130} (( segid " A" and resid 169 and name HA )) ( segid " A" and resid 168 and name HD2%) 4.200 2.200 1.800 peak 3130 spectrum 1 weight 0.10000E+01 volume 0.16429E-02 ppm1 2.375 ppm2 1.000 CV 1 OR { 3130} (( segid " A" and resid 169 and name HA )) ( segid " A" and resid 185 and name HG1%) ASSI { 3131} (( segid " A" and resid 283 and name HA2 )) ( segid " A" and resid 267 and name HG1%) 2.600 0.800 0.800 peak 3131 spectrum 1 weight 0.10000E+01 volume 0.65526E-02 ppm1 4.034 ppm2 0.983 CV 1 OR { 3131} (( segid " A" and resid 283 and name HA2 )) ( segid " A" and resid 282 and name HG1%) ASSI { 3132} (( segid " A" and resid 271 and name HB2 )) ( segid " A" and resid 282 and name HG1%) 2.600 0.900 0.900 peak 3132 spectrum 1 weight 0.10000E+01 volume 0.44602E-02 ppm1 2.969 ppm2 1.003 CV 1 ASSI { 3133} (( segid " A" and resid 271 and name HB1 )) ( segid " A" and resid 282 and name HG1%) 4.000 2.000 2.000 peak 3133 spectrum 1 weight 0.10000E+01 volume 0.33233E-02 ppm1 2.873 ppm2 0.998 CV 1 OR { 3133} (( segid " A" and resid 271 and name HB1 )) ( segid " A" and resid 267 and name HG1%) ASSI { 3134} (( segid " A" and resid 184 and name HB1 )) ( segid " A" and resid 185 and name HG2%) 4.600 2.600 1.400 peak 3134 spectrum 1 weight 0.10000E+01 volume 0.10895E-02 ppm1 1.593 ppm2 0.997 CV 1 OR { 3134} (( segid " A" and resid 184 and name HB1 )) ( segid " A" and resid 185 and name HG1%) ASSI { 3135} ( segid " A" and resid 116 and name HG1%) ( segid " A" and resid 185 and name HG1%) 2.600 0.800 0.800 peak 3135 spectrum 1 weight 0.10000E+01 volume 0.10695E-01 ppm1 0.293 ppm2 0.986 CV 1 OR { 3135} ( segid " A" and resid 116 and name HG1%) ( segid " A" and resid 185 and name HG2%) ASSI { 3136} ( segid " A" and resid 266 and name HB% ) ( segid " A" and resid 267 and name HG2%) 2.900 1.000 1.000 peak 3136 spectrum 1 weight 0.10000E+01 volume 0.11086E-01 ppm1 1.338 ppm2 1.003 CV 1 ASSI { 3138} (( segid " A" and resid 268 and name HB2 )) ( segid " A" and resid 267 and name HG1%) 3.800 1.800 1.800 peak 3138 spectrum 1 weight 0.10000E+01 volume 0.22197E-02 ppm1 3.937 ppm2 0.972 CV 1 OR { 3138} (( segid " A" and resid 268 and name HB1 )) ( segid " A" and resid 267 and name HG1%) ASSI { 3140} (( segid " A" and resid 263 and name HB2 )) ( segid " A" and resid 211 and name HG2%) 2.300 0.700 0.700 peak 3140 spectrum 1 weight 0.10000E+01 volume 0.49679E-02 ppm1 3.756 ppm2 0.975 CV 1 ASSI { 3141} (( segid " A" and resid 268 and name HA )) ( segid " A" and resid 267 and name HG1%) 3.200 1.300 1.300 peak 3141 spectrum 1 weight 0.10000E+01 volume 0.28847E-02 ppm1 4.204 ppm2 0.975 CV 1 ASSI { 3142} (( segid " A" and resid 263 and name HA )) ( segid " A" and resid 211 and name HG2%) 3.300 1.400 1.400 peak 3142 spectrum 1 weight 0.10000E+01 volume 0.52492E-02 ppm1 3.717 ppm2 0.976 CV 1 ASSI { 3144} ( segid " A" and resid 225 and name HD1%) ( segid " A" and resid 275 and name HD2%) 2.200 0.600 0.600 peak 3144 spectrum 1 weight 0.10000E+01 volume 0.15505E-01 ppm1 0.635 ppm2 0.977 CV 1 ASSI { 3145} (( segid " A" and resid 127 and name HB )) ( segid " A" and resid 123 and name HD2%) 3.500 1.600 1.600 peak 3145 spectrum 1 weight 0.10000E+01 volume 0.26874E-02 ppm1 4.177 ppm2 0.939 CV 1 OR { 3145} (( segid " A" and resid 127 and name HB )) ( segid " A" and resid 123 and name HD1%) ASSI { 3146} (( segid " A" and resid 276 and name HA1 )) ( segid " A" and resid 220 and name HD2%) 3.000 1.200 1.200 peak 3146 spectrum 1 weight 0.10000E+01 volume 0.21323E-02 ppm1 3.657 ppm2 0.936 CV 1 ASSI { 3147} (( segid " A" and resid 178 and name HB1 )) ( segid " A" and resid 123 and name HD2%) 2.700 0.900 0.900 peak 3147 spectrum 1 weight 0.10000E+01 volume 0.94547E-02 ppm1 1.574 ppm2 0.943 CV 1 OR { 3147} (( segid " A" and resid 178 and name HB1 )) ( segid " A" and resid 123 and name HD1%) ASSI { 3148} (( segid " A" and resid 178 and name HB2 )) ( segid " A" and resid 123 and name HD2%) 2.400 0.700 0.700 peak 3148 spectrum 1 weight 0.10000E+01 volume 0.93465E-02 ppm1 1.414 ppm2 0.941 CV 1 OR { 3148} (( segid " A" and resid 178 and name HB2 )) ( segid " A" and resid 123 and name HD1%) ASSI { 3149} (( segid " A" and resid 217 and name HB2 )) ( segid " A" and resid 220 and name HD2%) 3.500 1.600 1.600 peak 3149 spectrum 1 weight 0.10000E+01 volume 0.26908E-02 ppm1 3.085 ppm2 0.932 CV 1 ASSI { 3150} (( segid " A" and resid 217 and name HB1 )) ( segid " A" and resid 220 and name HD2%) 3.000 1.100 1.100 peak 3150 spectrum 1 weight 0.10000E+01 volume 0.30070E-02 ppm1 2.840 ppm2 0.932 CV 1 ASSI { 3151} ( segid " A" and resid 127 and name HG2%) ( segid " A" and resid 123 and name HD2%) 2.300 0.700 0.700 peak 3151 spectrum 1 weight 0.10000E+01 volume 0.18052E-01 ppm1 1.327 ppm2 0.939 CV 1 ASSI { 3152} ( segid " A" and resid 202 and name HB% ) ( segid " A" and resid 198 and name HG2%) 2.700 0.900 0.900 peak 3152 spectrum 1 weight 0.10000E+01 volume 0.26242E-02 ppm1 1.568 ppm2 0.947 CV 1 ASSI { 3153} ( segid " A" and resid 128 and name HD1%) ( segid " A" and resid 123 and name HD1%) 2.900 1.000 1.000 peak 3153 spectrum 1 weight 0.10000E+01 volume 0.59858E-02 ppm1 0.489 ppm2 0.937 CV 1 OR { 3153} ( segid " A" and resid 128 and name HD1%) ( segid " A" and resid 123 and name HD2%) ASSI { 3154} (( segid " A" and resid 113 and name HA )) ( segid " A" and resid 114 and name HG1%) 4.200 2.200 1.800 peak 3154 spectrum 1 weight 0.10000E+01 volume 0.20990E-02 ppm1 5.379 ppm2 0.897 CV 1 ASSI { 3155} (( segid " A" and resid 165 and name HA )) ( segid " A" and resid 168 and name HD1%) 3.200 1.300 1.300 peak 3155 spectrum 1 weight 0.10000E+01 volume 0.61839E-02 ppm1 3.655 ppm2 0.910 CV 1 OR { 3155} (( segid " A" and resid 166 and name HA )) ( segid " A" and resid 114 and name HG1%) OR { 3155} (( segid " A" and resid 166 and name HA )) ( segid " A" and resid 114 and name HG2%) ASSI { 3157} (( segid " A" and resid 172 and name HG2 )) ( segid " A" and resid 168 and name HD1%) 4.700 2.800 1.300 peak 3157 spectrum 1 weight 0.10000E+01 volume 0.11128E-02 ppm1 2.777 ppm2 0.911 CV 1 ASSI { 3158} (( segid " A" and resid 158 and name HB )) ( segid " A" and resid 114 and name HG1%) 2.300 0.700 0.700 peak 3158 spectrum 1 weight 0.10000E+01 volume 0.79525E-02 ppm1 1.435 ppm2 0.899 CV 1 ASSI { 3159} (( segid " A" and resid 216 and name HB )) ( segid " A" and resid 220 and name HD2%) 4.800 2.900 1.200 peak 3159 spectrum 1 weight 0.10000E+01 volume 0.99125E-03 ppm1 1.298 ppm2 0.905 CV 1 ASSI { 3160} ( segid " A" and resid 116 and name HG1%) ( segid " A" and resid 114 and name HG1%) 2.500 0.800 0.800 peak 3160 spectrum 1 weight 0.10000E+01 volume 0.10628E-01 ppm1 0.294 ppm2 0.907 CV 1 OR { 3160} ( segid " A" and resid 116 and name HG1%) ( segid " A" and resid 114 and name HG2%) ASSI { 3161} ( segid " A" and resid 169 and name HB% ) ( segid " A" and resid 114 and name HG1%) 2.700 0.900 0.900 peak 3161 spectrum 1 weight 0.10000E+01 volume 0.10204E-01 ppm1 1.350 ppm2 0.915 CV 1 OR { 3161} ( segid " A" and resid 169 and name HB% ) ( segid " A" and resid 168 and name HD1%) OR { 3161} ( segid " A" and resid 169 and name HB% ) ( segid " A" and resid 114 and name HG2%) ASSI { 3162} ( segid " A" and resid 111 and name HE% ) ( segid " A" and resid 108 and name HD2%) 2.500 0.800 0.800 peak 3162 spectrum 1 weight 0.10000E+01 volume 0.14831E-01 ppm1 1.972 ppm2 0.896 CV 1 ASSI { 3163} (( segid " A" and resid 149 and name HB )) ( segid " A" and resid 148 and name HG2%) 4.700 2.700 1.300 peak 3163 spectrum 1 weight 0.10000E+01 volume 0.13500E-02 ppm1 4.128 ppm2 0.885 CV 1 ASSI { 3164} (( segid " A" and resid 148 and name HA )) ( segid " A" and resid 148 and name HG2%) 2.600 0.800 0.800 peak 3164 spectrum 1 weight 0.10000E+01 volume 0.15339E-01 ppm1 3.898 ppm2 0.890 CV 1 ASSI { 3165} (( segid " A" and resid 216 and name HA )) ( segid " A" and resid 280 and name HD2%) 2.800 1.000 1.000 peak 3165 spectrum 1 weight 0.10000E+01 volume 0.30869E-02 ppm1 3.534 ppm2 0.878 CV 1 ASSI { 3166} (( segid " A" and resid 157 and name HA )) ( segid " A" and resid 114 and name HG1%) 4.400 2.400 1.600 peak 3166 spectrum 1 weight 0.10000E+01 volume 0.14507E-02 ppm1 5.465 ppm2 0.883 CV 1 ASSI { 3167} (( segid " A" and resid 159 and name HA )) ( segid " A" and resid 114 and name HG1%) 3.400 1.400 1.400 peak 3167 spectrum 1 weight 0.10000E+01 volume 0.42255E-02 ppm1 5.041 ppm2 0.888 CV 1 OR { 3167} (( segid " A" and resid 173 and name HA )) ( segid " A" and resid 183 and name HD1%) OR { 3167} (( segid " A" and resid 173 and name HA )) ( segid " A" and resid 176 and name HG2%) ASSI { 3168} (( segid " A" and resid 280 and name HB2 )) ( segid " A" and resid 280 and name HD2%) 3.900 1.900 1.900 peak 3168 spectrum 1 weight 0.10000E+01 volume 0.28880E-02 ppm1 2.315 ppm2 0.871 CV 1 ASSI { 3170} (( segid " A" and resid 213 and name HB )) ( segid " A" and resid 280 and name HD2%) 3.600 1.600 1.600 peak 3170 spectrum 1 weight 0.10000E+01 volume 0.11860E-02 ppm1 1.241 ppm2 0.873 CV 1 ASSI { 3175} ( segid " A" and resid 149 and name HG2%) ( segid " A" and resid 148 and name HG2%) 2.900 1.000 1.000 peak 3175 spectrum 1 weight 0.10000E+01 volume 0.88222E-02 ppm1 1.108 ppm2 0.874 CV 1 ASSI { 3176} ( segid " A" and resid 216 and name HG2%) ( segid " A" and resid 280 and name HD2%) 2.300 0.700 0.700 peak 3176 spectrum 1 weight 0.10000E+01 volume 0.17361E-01 ppm1 0.383 ppm2 0.870 CV 1 ASSI { 3177} ( segid " A" and resid 213 and name HG2%) ( segid " A" and resid 280 and name HD2%) 2.700 2.700 3.300 peak 3177 spectrum 1 weight 0.10000E+01 volume 0.11502E-01 ppm1 0.442 ppm2 0.872 CV 1 ASSI { 3179} ( segid " A" and resid 173 and name HE% ) ( segid " A" and resid 183 and name HD1%) 2.200 0.600 0.600 peak 3179 spectrum 1 weight 0.10000E+01 volume 0.22596E-01 ppm1 1.395 ppm2 0.869 CV 1 ASSI { 3181} (( segid " A" and resid 111 and name HA )) ( segid " A" and resid 110 and name HG2%) 3.200 1.300 1.300 peak 3181 spectrum 1 weight 0.10000E+01 volume 0.43861E-02 ppm1 3.903 ppm2 0.847 CV 1 OR { 3181} (( segid " A" and resid 111 and name HA )) ( segid " A" and resid 108 and name HD2%) ASSI { 3183} (( segid " A" and resid 111 and name HB2 )) ( segid " A" and resid 108 and name HD2%) 3.700 1.700 1.700 peak 3183 spectrum 1 weight 0.10000E+01 volume 0.25068E-02 ppm1 2.288 ppm2 0.856 CV 1 OR { 3183} (( segid " A" and resid 111 and name HB1 )) ( segid " A" and resid 108 and name HD2%) OR { 3183} (( segid " A" and resid 111 and name HB2 )) ( segid " A" and resid 108 and name HD1%) OR { 3183} (( segid " A" and resid 111 and name HB2 )) ( segid " A" and resid 110 and name HG2%) ASSI { 3184} (( segid " A" and resid 113 and name HB2 )) ( segid " A" and resid 110 and name HG2%) 3.400 1.400 1.400 peak 3184 spectrum 1 weight 0.10000E+01 volume 0.14657E-02 ppm1 1.732 ppm2 0.855 CV 1 ASSI { 3185} (( segid " A" and resid 116 and name HB )) ( segid " A" and resid 156 and name HB% ) 3.300 1.300 1.300 peak 3185 spectrum 1 weight 0.10000E+01 volume 0.36454E-02 ppm1 1.571 ppm2 0.845 CV 1 OR { 3185} (( segid " A" and resid 116 and name HB )) ( segid " A" and resid 183 and name HD1%) ASSI { 3186} (( segid " A" and resid 111 and name HG1 )) ( segid " A" and resid 108 and name HD2%) 3.600 1.600 1.600 peak 3186 spectrum 1 weight 0.10000E+01 volume 0.24602E-02 ppm1 2.603 ppm2 0.841 CV 1 OR { 3186} (( segid " A" and resid 111 and name HG2 )) ( segid " A" and resid 108 and name HD2%) OR { 3186} (( segid " A" and resid 111 and name HG1 )) ( segid " A" and resid 110 and name HG2%) OR { 3186} (( segid " A" and resid 111 and name HG2 )) ( segid " A" and resid 110 and name HG2%) ASSI { 3187} ( segid " A" and resid 158 and name HG2%) (( segid " A" and resid 141 and name HG11)) 2.800 1.000 1.000 peak 3187 spectrum 1 weight 0.10000E+01 volume 0.10204E-01 ppm1 0.034 ppm2 0.847 CV 1 ASSI { 3188} (( segid " A" and resid 287 and name HB )) ( segid " A" and resid 201 and name HD1%) 3.200 1.300 1.300 peak 3188 spectrum 1 weight 0.10000E+01 volume 0.43196E-02 ppm1 4.211 ppm2 0.820 CV 1 OR { 3188} (( segid " A" and resid 287 and name HB )) ( segid " A" and resid 201 and name HD2%) ASSI { 3189} (( segid " A" and resid 127 and name HB )) ( segid " A" and resid 178 and name HD1%) 4.600 2.700 1.400 peak 3189 spectrum 1 weight 0.10000E+01 volume 0.12584E-02 ppm1 4.175 ppm2 0.827 CV 1 ASSI { 3190} (( segid " A" and resid 128 and name HA )) ( segid " A" and resid 178 and name HD1%) 3.700 1.700 1.700 peak 3190 spectrum 1 weight 0.10000E+01 volume 0.30536E-02 ppm1 3.730 ppm2 0.818 CV 1 OR { 3190} (( segid " A" and resid 128 and name HA )) ( segid " A" and resid 156 and name HB% ) OR { 3190} (( segid " A" and resid 128 and name HA )) ( segid " A" and resid 178 and name HD2%) ASSI { 3191} (( segid " A" and resid 178 and name HB1 )) ( segid " A" and resid 178 and name HD1%) 2.500 0.800 0.800 peak 3191 spectrum 1 weight 0.10000E+01 volume 0.12085E-01 ppm1 1.574 ppm2 0.826 CV 1 OR { 3191} (( segid " A" and resid 178 and name HB1 )) ( segid " A" and resid 178 and name HD2%) ASSI { 3192} (( segid " A" and resid 178 and name HB2 )) ( segid " A" and resid 178 and name HD1%) 2.600 0.800 0.800 peak 3192 spectrum 1 weight 0.10000E+01 volume 0.13067E-01 ppm1 1.413 ppm2 0.828 CV 1 OR { 3192} (( segid " A" and resid 178 and name HB2 )) ( segid " A" and resid 178 and name HD2%) ASSI { 3193} (( segid " A" and resid 170 and name HB1 )) ( segid " A" and resid 170 and name HD1%) 2.400 0.700 0.700 peak 3193 spectrum 1 weight 0.10000E+01 volume 0.17977E-01 ppm1 1.576 ppm2 0.830 CV 1 ASSI { 3194} (( segid " A" and resid 200 and name HG1 )) ( segid " A" and resid 201 and name HD2%) 3.700 1.700 1.700 peak 3194 spectrum 1 weight 0.10000E+01 volume 0.20566E-02 ppm1 2.556 ppm2 0.811 CV 1 OR { 3194} (( segid " A" and resid 200 and name HG1 )) ( segid " A" and resid 201 and name HD1%) ASSI { 3195} (( segid " A" and resid 163 and name HB2 )) ( segid " A" and resid 108 and name HD1%) 3.400 1.500 1.500 peak 3195 spectrum 1 weight 0.10000E+01 volume 0.76778E-02 ppm1 2.139 ppm2 0.831 CV 1 ASSI { 3196} (( segid " A" and resid 200 and name HB2 )) ( segid " A" and resid 201 and name HD2%) 3.300 1.300 1.300 peak 3196 spectrum 1 weight 0.10000E+01 volume 0.81980E-02 ppm1 2.177 ppm2 0.830 CV 1 OR { 3196} (( segid " A" and resid 203 and name HB2 )) ( segid " A" and resid 201 and name HD2%) OR { 3196} (( segid " A" and resid 130 and name HB2 )) ( segid " A" and resid 178 and name HD1%) OR { 3196} (( segid " A" and resid 130 and name HB1 )) ( segid " A" and resid 178 and name HD1%) ASSI { 3197} ( segid " A" and resid 127 and name HG2%) ( segid " A" and resid 178 and name HD1%) 2.400 0.700 0.700 peak 3197 spectrum 1 weight 0.10000E+01 volume 0.15372E-01 ppm1 1.327 ppm2 0.821 CV 1 ASSI { 3198} ( segid " A" and resid 131 and name HB% ) ( segid " A" and resid 178 and name HD1%) 2.200 0.600 0.600 peak 3198 spectrum 1 weight 0.10000E+01 volume 0.31735E-01 ppm1 1.448 ppm2 0.827 CV 1 OR { 3198} ( segid " A" and resid 131 and name HB% ) ( segid " A" and resid 178 and name HD2%) ASSI { 3199} ( segid " A" and resid 141 and name HG2%) (( segid " A" and resid 141 and name HG11)) 2.600 0.800 0.800 peak 3199 spectrum 1 weight 0.10000E+01 volume 0.19792E-01 ppm1 0.600 ppm2 0.822 CV 1 OR { 3199} ( segid " A" and resid 141 and name HG2%) ( segid " A" and resid 156 and name HB% ) ASSI { 3200} ( segid " A" and resid 111 and name HE% ) ( segid " A" and resid 286 and name HG1%) 2.600 0.800 0.800 peak 3200 spectrum 1 weight 0.10000E+01 volume 0.18510E-01 ppm1 1.971 ppm2 0.809 CV 1 OR { 3200} ( segid " A" and resid 111 and name HE% ) ( segid " A" and resid 201 and name HD1%) ASSI { 3201} ( segid " A" and resid 128 and name HD1%) ( segid " A" and resid 156 and name HB% ) 3.000 1.100 1.100 peak 3201 spectrum 1 weight 0.10000E+01 volume 0.12992E-01 ppm1 0.489 ppm2 0.826 CV 1 OR { 3201} ( segid " A" and resid 128 and name HD1%) ( segid " A" and resid 178 and name HD1%) ASSI { 3202} (( segid " A" and resid 170 and name HA )) ( segid " A" and resid 170 and name HD1%) 3.000 1.100 1.100 peak 3202 spectrum 1 weight 0.10000E+01 volume 0.11402E-01 ppm1 3.742 ppm2 0.797 CV 1 OR { 3202} (( segid " A" and resid 170 and name HA )) ( segid " A" and resid 170 and name HD2%) OR { 3202} (( segid " A" and resid 167 and name HA )) ( segid " A" and resid 286 and name HG1%) OR { 3202} (( segid " A" and resid 167 and name HA )) ( segid " A" and resid 170 and name HD2%) ASSI { 3203} (( segid " A" and resid 250 and name HA )) ( segid " A" and resid 241 and name HB% ) 5.300 3.600 0.700 peak 3203 spectrum 1 weight 0.10000E+01 volume 0.77735E-03 ppm1 4.433 ppm2 0.789 CV 1 OR { 3203} (( segid " A" and resid 271 and name HA )) ( segid " A" and resid 272 and name HD1%) ASSI { 3204} (( segid " A" and resid 249 and name HA )) ( segid " A" and resid 241 and name HB% ) 4.300 2.300 1.700 peak 3204 spectrum 1 weight 0.10000E+01 volume 0.17778E-02 ppm1 5.376 ppm2 0.799 CV 1 OR { 3204} (( segid " A" and resid 249 and name HA )) (( segid " A" and resid 240 and name HB1 )) ASSI { 3205} (( segid " A" and resid 276 and name HA1 )) ( segid " A" and resid 220 and name HD1%) 3.300 1.400 1.400 peak 3205 spectrum 1 weight 0.10000E+01 volume 0.12834E-02 ppm1 3.653 ppm2 0.792 CV 1 ASSI { 3206} (( segid " A" and resid 224 and name HB1 )) ( segid " A" and resid 220 and name HD1%) 2.800 1.000 1.000 peak 3206 spectrum 1 weight 0.10000E+01 volume 0.70636E-02 ppm1 2.990 ppm2 0.798 CV 1 ASSI { 3207} (( segid " A" and resid 224 and name HB2 )) ( segid " A" and resid 220 and name HD1%) 3.600 1.600 1.600 peak 3207 spectrum 1 weight 0.10000E+01 volume 0.34798E-02 ppm1 2.686 ppm2 0.798 CV 1 ASSI { 3208} (( segid " A" and resid 174 and name HB2 )) ( segid " A" and resid 170 and name HD2%) 4.100 2.100 1.900 peak 3208 spectrum 1 weight 0.10000E+01 volume 0.83644E-03 ppm1 2.971 ppm2 0.785 CV 1 OR { 3208} (( segid " A" and resid 271 and name HB2 )) ( segid " A" and resid 272 and name HD1%) ASSI { 3209} (( segid " A" and resid 204 and name HG2 )) ( segid " A" and resid 201 and name HD2%) 4.200 2.200 1.800 peak 3209 spectrum 1 weight 0.10000E+01 volume 0.18102E-02 ppm1 2.665 ppm2 0.802 CV 1 OR { 3209} (( segid " A" and resid 171 and name HG2 )) ( segid " A" and resid 170 and name HD2%) ASSI { 3210} (( segid " A" and resid 185 and name HB )) ( segid " A" and resid 170 and name HD1%) 3.200 1.300 1.300 peak 3210 spectrum 1 weight 0.10000E+01 volume 0.37161E-02 ppm1 1.897 ppm2 0.805 CV 1 OR { 3210} (( segid " A" and resid 185 and name HB )) ( segid " A" and resid 170 and name HD2%) ASSI { 3211} (( segid " A" and resid 130 and name HG1 )) ( segid " A" and resid 138 and name HD1%) 3.400 1.400 1.400 peak 3211 spectrum 1 weight 0.10000E+01 volume 0.45734E-02 ppm1 2.425 ppm2 0.784 CV 1 OR { 3211} (( segid " A" and resid 130 and name HG1 )) ( segid " A" and resid 141 and name HD1%) OR { 3211} (( segid " A" and resid 193 and name HG1 )) ( segid " A" and resid 197 and name HD1%) ASSI { 3212} (( segid " A" and resid 250 and name HB1 )) ( segid " A" and resid 241 and name HB% ) 4.200 2.200 1.800 peak 3212 spectrum 1 weight 0.10000E+01 volume 0.21157E-02 ppm1 1.359 ppm2 0.778 CV 1 ASSI { 3213} (( segid " A" and resid 167 and name HG1 )) ( segid " A" and resid 286 and name HG1%) 2.700 0.900 0.900 peak 3213 spectrum 1 weight 0.10000E+01 volume 0.48214E-02 ppm1 2.165 ppm2 0.794 CV 1 ASSI { 3214} (( segid " A" and resid 249 and name HB1 )) (( segid " A" and resid 240 and name HB1 )) 3.900 1.900 1.900 peak 3214 spectrum 1 weight 0.10000E+01 volume 0.13333E-02 ppm1 3.281 ppm2 0.785 CV 1 OR { 3214} (( segid " A" and resid 249 and name HB1 )) ( segid " A" and resid 241 and name HB% ) ASSI { 3215} (( segid " A" and resid 163 and name HB1 )) ( segid " A" and resid 201 and name HD1%) 4.400 2.400 1.600 peak 3215 spectrum 1 weight 0.10000E+01 volume 0.22497E-02 ppm1 1.699 ppm2 0.796 CV 1 OR { 3215} (( segid " A" and resid 163 and name HB1 )) ( segid " A" and resid 286 and name HG1%) OR { 3215} (( segid " A" and resid 159 and name HB1 )) ( segid " A" and resid 138 and name HD1%) ASSI { 3216} (( segid " A" and resid 217 and name HB2 )) ( segid " A" and resid 220 and name HD1%) 4.700 2.700 1.300 peak 3216 spectrum 1 weight 0.10000E+01 volume 0.81647E-03 ppm1 3.099 ppm2 0.806 CV 1 ASSI { 3217} (( segid " A" and resid 217 and name HB1 )) ( segid " A" and resid 220 and name HD1%) 3.500 1.500 1.500 peak 3217 spectrum 1 weight 0.10000E+01 volume 0.96378E-03 ppm1 2.846 ppm2 0.798 CV 1 ASSI { 3218} (( segid " A" and resid 204 and name HB2 )) ( segid " A" and resid 201 and name HD2%) 4.000 2.000 2.000 peak 3218 spectrum 1 weight 0.10000E+01 volume 0.17753E-02 ppm1 2.157 ppm2 0.804 CV 1 OR { 3218} (( segid " A" and resid 204 and name HB2 )) ( segid " A" and resid 201 and name HD1%) ASSI { 3219} ( segid " A" and resid 287 and name HG2%) ( segid " A" and resid 201 and name HD1%) 2.300 0.700 0.700 peak 3219 spectrum 1 weight 0.10000E+01 volume 0.15148E-01 ppm1 1.087 ppm2 0.789 CV 1 OR { 3219} ( segid " A" and resid 287 and name HG2%) ( segid " A" and resid 201 and name HD2%) ASSI { 3220} ( segid " A" and resid 205 and name HB% ) ( segid " A" and resid 286 and name HG1%) 3.800 1.800 1.800 peak 3220 spectrum 1 weight 0.10000E+01 volume 0.34656E-02 ppm1 1.152 ppm2 0.801 CV 1 OR { 3220} ( segid " A" and resid 205 and name HB% ) ( segid " A" and resid 201 and name HD2%) ASSI { 3221} ( segid " A" and resid 202 and name HB% ) ( segid " A" and resid 201 and name HD1%) 3.800 1.800 1.800 peak 3221 spectrum 1 weight 0.10000E+01 volume 0.20924E-02 ppm1 1.570 ppm2 0.781 CV 1 OR { 3221} ( segid " A" and resid 202 and name HB% ) ( segid " A" and resid 201 and name HD2%) ASSI { 3224} (( segid " A" and resid 129 and name HA )) ( segid " A" and resid 138 and name HD1%) 2.100 0.500 0.500 peak 3224 spectrum 1 weight 0.10000E+01 volume 0.10187E-01 ppm1 3.667 ppm2 0.757 CV 1 OR { 3224} (( segid " A" and resid 129 and name HA )) ( segid " A" and resid 141 and name HD1%) ASSI { 3225} (( segid " A" and resid 129 and name HD2 )) ( segid " A" and resid 138 and name HD1%) 4.300 2.300 1.700 peak 3225 spectrum 1 weight 0.10000E+01 volume 0.12135E-02 ppm1 3.344 ppm2 0.756 CV 1 OR { 3225} (( segid " A" and resid 129 and name HD2 )) ( segid " A" and resid 141 and name HD1%) ASSI { 3226} (( segid " A" and resid 141 and name HB )) ( segid " A" and resid 141 and name HD1%) 2.500 0.800 0.800 peak 3226 spectrum 1 weight 0.10000E+01 volume 0.99208E-02 ppm1 1.643 ppm2 0.758 CV 1 OR { 3226} (( segid " A" and resid 138 and name HB )) ( segid " A" and resid 138 and name HD1%) OR { 3226} (( segid " A" and resid 138 and name HB )) ( segid " A" and resid 141 and name HD1%) ASSI { 3227} (( segid " A" and resid 213 and name HB )) ( segid " A" and resid 211 and name HD1%) 4.900 3.000 1.100 peak 3227 spectrum 1 weight 0.10000E+01 volume 0.10462E-02 ppm1 1.250 ppm2 0.761 CV 1 ASSI { 3228} (( segid " A" and resid 161 and name HB1 )) ( segid " A" and resid 162 and name HG2%) 3.900 1.900 1.900 peak 3228 spectrum 1 weight 0.10000E+01 volume 0.22197E-02 ppm1 1.978 ppm2 0.753 CV 1 OR { 3228} (( segid " A" and resid 270 and name HB2 )) ( segid " A" and resid 211 and name HD1%) ASSI { 3229} (( segid " A" and resid 129 and name HB1 )) ( segid " A" and resid 141 and name HD1%) 3.500 1.500 1.500 peak 3229 spectrum 1 weight 0.10000E+01 volume 0.61839E-02 ppm1 1.884 ppm2 0.762 CV 1 ASSI { 3232} ( segid " A" and resid 158 and name HG2%) ( segid " A" and resid 141 and name HD1%) 2.600 0.800 0.800 peak 3232 spectrum 1 weight 0.10000E+01 volume 0.91468E-02 ppm1 0.035 ppm2 0.760 CV 1 ASSI { 3233} ( segid " A" and resid 133 and name HB% ) ( segid " A" and resid 138 and name HD1%) 2.600 0.800 0.800 peak 3233 spectrum 1 weight 0.10000E+01 volume 0.10096E-01 ppm1 1.617 ppm2 0.767 CV 1 ASSI { 3235} (( segid " A" and resid 164 and name HA )) (( segid " A" and resid 164 and name HB1 )) 2.700 0.900 0.900 peak 3235 spectrum 1 weight 0.10000E+01 volume 0.51152E-02 ppm1 3.316 ppm2 0.748 CV 1 OR { 3235} (( segid " A" and resid 164 and name HA )) (( segid " A" and resid 164 and name HB2 )) ASSI { 3237} (( segid " A" and resid 254 and name HA )) ( segid " A" and resid 211 and name HD1%) 5.000 3.200 1.000 peak 3237 spectrum 1 weight 0.10000E+01 volume 0.68913E-03 ppm1 5.773 ppm2 0.732 CV 1 OR { 3237} (( segid " A" and resid 254 and name HA )) (( segid " A" and resid 164 and name HB1 )) ASSI { 3238} (( segid " A" and resid 157 and name HA )) ( segid " A" and resid 116 and name HG2%) 3.600 1.600 1.600 peak 3238 spectrum 1 weight 0.10000E+01 volume 0.80066E-03 ppm1 5.466 ppm2 0.730 CV 1 ASSI { 3239} (( segid " A" and resid 107 and name HA )) ( segid " A" and resid 110 and name HD1%) 2.700 0.900 0.900 peak 3239 spectrum 1 weight 0.10000E+01 volume 0.73849E-02 ppm1 3.942 ppm2 0.744 CV 1 ASSI { 3241} (( segid " A" and resid 255 and name HB )) ( segid " A" and resid 211 and name HD1%) 2.800 1.000 1.000 peak 3241 spectrum 1 weight 0.10000E+01 volume 0.31768E-02 ppm1 1.226 ppm2 0.747 CV 1 ASSI { 3243} (( segid " A" and resid 282 and name HB )) ( segid " A" and resid 211 and name HD1%) 4.400 2.400 1.600 peak 3243 spectrum 1 weight 0.10000E+01 volume 0.95546E-03 ppm1 1.800 ppm2 0.741 CV 1 ASSI { 3244} (( segid " A" and resid 111 and name HG2 )) ( segid " A" and resid 198 and name HD1%) 3.200 1.300 1.300 peak 3244 spectrum 1 weight 0.10000E+01 volume 0.24636E-02 ppm1 2.607 ppm2 0.741 CV 1 OR { 3244} (( segid " A" and resid 111 and name HG1 )) ( segid " A" and resid 198 and name HD1%) ASSI { 3246} ( segid " A" and resid 266 and name HB% ) ( segid " A" and resid 211 and name HD1%) 2.400 0.700 0.700 peak 3246 spectrum 1 weight 0.10000E+01 volume 0.95879E-02 ppm1 1.338 ppm2 0.747 CV 1 ASSI { 3247} (( segid " A" and resid 281 and name HD2 )) ( segid " A" and resid 272 and name HD2%) 3.600 1.600 1.600 peak 3247 spectrum 1 weight 0.10000E+01 volume 0.26275E-02 ppm1 3.116 ppm2 0.702 CV 1 ASSI { 3248} (( segid " A" and resid 226 and name HE2 )) ( segid " A" and resid 235 and name HD1%) 3.500 1.500 1.500 peak 3248 spectrum 1 weight 0.10000E+01 volume 0.46608E-02 ppm1 2.872 ppm2 0.698 CV 1 OR { 3248} (( segid " A" and resid 226 and name HE1 )) ( segid " A" and resid 235 and name HD1%) ASSI { 3249} (( segid " A" and resid 229 and name HB1 )) ( segid " A" and resid 235 and name HD1%) 2.500 0.800 0.800 peak 3249 spectrum 1 weight 0.10000E+01 volume 0.30919E-02 ppm1 3.531 ppm2 0.705 CV 1 ASSI { 3250} (( segid " A" and resid 229 and name HB2 )) ( segid " A" and resid 235 and name HD1%) 2.300 0.700 0.700 peak 3250 spectrum 1 weight 0.10000E+01 volume 0.37536E-02 ppm1 2.830 ppm2 0.702 CV 1 ASSI { 3251} (( segid " A" and resid 279 and name HB2 )) ( segid " A" and resid 272 and name HD2%) 3.800 1.800 1.800 peak 3251 spectrum 1 weight 0.10000E+01 volume 0.24028E-02 ppm1 2.735 ppm2 0.708 CV 1 ASSI { 3252} (( segid " A" and resid 279 and name HB1 )) ( segid " A" and resid 272 and name HD2%) 3.000 1.100 1.100 peak 3252 spectrum 1 weight 0.10000E+01 volume 0.69787E-02 ppm1 2.550 ppm2 0.704 CV 1 OR { 3252} (( segid " A" and resid 230 and name HG2 )) ( segid " A" and resid 235 and name HD1%) OR { 3252} (( segid " A" and resid 230 and name HG1 )) ( segid " A" and resid 235 and name HD1%) ASSI { 3253} (( segid " A" and resid 116 and name HB )) ( segid " A" and resid 116 and name HG2%) 2.500 0.800 0.800 peak 3253 spectrum 1 weight 0.10000E+01 volume 0.63353E-02 ppm1 1.569 ppm2 0.717 CV 1 ASSI { 3254} (( segid " A" and resid 235 and name HG11)) ( segid " A" and resid 235 and name HD1%) 2.300 0.700 0.700 peak 3254 spectrum 1 weight 0.10000E+01 volume 0.49146E-02 ppm1 0.170 ppm2 0.700 CV 1 ASSI { 3255} (( segid " A" and resid 230 and name HB1 )) ( segid " A" and resid 235 and name HD1%) 3.600 1.700 1.700 peak 3255 spectrum 1 weight 0.10000E+01 volume 0.39475E-02 ppm1 2.302 ppm2 0.703 CV 1 ASSI { 3256} (( segid " A" and resid 230 and name HB2 )) ( segid " A" and resid 235 and name HD1%) 2.400 0.700 0.700 peak 3256 spectrum 1 weight 0.10000E+01 volume 0.40565E-02 ppm1 2.110 ppm2 0.702 CV 1 ASSI { 3257} (( segid " A" and resid 226 and name HG2 )) ( segid " A" and resid 235 and name HD1%) 2.700 0.900 0.900 peak 3257 spectrum 1 weight 0.10000E+01 volume 0.24203E-02 ppm1 1.384 ppm2 0.691 CV 1 ASSI { 3258} ( segid " A" and resid 116 and name HG1%) ( segid " A" and resid 116 and name HG2%) 2.300 0.600 0.600 peak 3258 spectrum 1 weight 0.10000E+01 volume 0.17570E-01 ppm1 0.294 ppm2 0.717 CV 1 ASSI { 3259} ( segid " A" and resid 255 and name HG2%) ( segid " A" and resid 235 and name HD1%) 2.200 0.600 0.600 peak 3259 spectrum 1 weight 0.10000E+01 volume 0.16338E-01 ppm1 0.228 ppm2 0.702 CV 1 ASSI { 3260} ( segid " A" and resid 128 and name HD1%) ( segid " A" and resid 119 and name HG2%) 2.400 0.700 0.700 peak 3260 spectrum 1 weight 0.10000E+01 volume 0.11877E-01 ppm1 0.489 ppm2 0.697 CV 1 ASSI { 3261} (( segid " A" and resid 160 and name HB1 )) ( segid " A" and resid 165 and name HB% ) 2.900 1.000 1.000 peak 3261 spectrum 1 weight 0.10000E+01 volume 0.30303E-02 ppm1 3.131 ppm2 0.670 CV 1 ASSI { 3262} (( segid " A" and resid 220 and name HB1 )) ( segid " A" and resid 216 and name HG1%) 2.900 1.000 1.000 peak 3262 spectrum 1 weight 0.10000E+01 volume 0.30445E-02 ppm1 2.000 ppm2 0.664 CV 1 ASSI { 3264} (( segid " A" and resid 217 and name HB1 )) ( segid " A" and resid 216 and name HG1%) 4.700 2.700 1.300 peak 3264 spectrum 1 weight 0.10000E+01 volume 0.82313E-03 ppm1 2.842 ppm2 0.662 CV 1 OR { 3264} (( segid " A" and resid 217 and name HB1 )) ( segid " A" and resid 225 and name HD1%) ASSI { 3265} (( segid " A" and resid 220 and name HG )) ( segid " A" and resid 216 and name HG1%) 4.000 2.000 2.000 peak 3265 spectrum 1 weight 0.10000E+01 volume 0.15222E-02 ppm1 1.672 ppm2 0.668 CV 1 ASSI { 3266} ( segid " A" and resid 275 and name HD1%) ( segid " A" and resid 228 and name HG2%) 2.300 0.700 0.700 peak 3266 spectrum 1 weight 0.10000E+01 volume 0.14698E-01 ppm1 1.099 ppm2 0.668 CV 1 ASSI { 3267} (( segid " A" and resid 218 and name HA )) ( segid " A" and resid 216 and name HG1%) 4.600 2.700 1.400 peak 3267 spectrum 1 weight 0.10000E+01 volume 0.92716E-03 ppm1 3.621 ppm2 0.650 CV 1 ASSI { 3268} (( segid " A" and resid 222 and name HA )) ( segid " A" and resid 216 and name HG1%) 3.900 1.900 1.900 peak 3268 spectrum 1 weight 0.10000E+01 volume 0.25801E-02 ppm1 3.740 ppm2 0.642 CV 1 OR { 3268} (( segid " A" and resid 222 and name HA )) ( segid " A" and resid 225 and name HG2%) OR { 3268} (( segid " A" and resid 222 and name HA )) ( segid " A" and resid 225 and name HD1%) ASSI { 3270} (( segid " A" and resid 136 and name HA1 )) ( segid " A" and resid 165 and name HB% ) 2.600 0.900 0.900 peak 3270 spectrum 1 weight 0.10000E+01 volume 0.25435E-02 ppm1 3.956 ppm2 0.654 CV 1 ASSI { 3271} (( segid " A" and resid 275 and name HB1 )) ( segid " A" and resid 228 and name HG2%) 4.400 2.400 1.600 peak 3271 spectrum 1 weight 0.10000E+01 volume 0.11877E-02 ppm1 1.463 ppm2 0.654 CV 1 OR { 3271} (( segid " A" and resid 275 and name HB1 )) ( segid " A" and resid 225 and name HD1%) ASSI { 3272} (( segid " A" and resid 160 and name HB2 )) ( segid " A" and resid 165 and name HB% ) 3.400 1.400 1.400 peak 3272 spectrum 1 weight 0.10000E+01 volume 0.22929E-02 ppm1 2.769 ppm2 0.653 CV 1 ASSI { 3273} (( segid " A" and resid 220 and name HB2 )) ( segid " A" and resid 216 and name HG1%) 3.100 1.200 1.200 peak 3273 spectrum 1 weight 0.10000E+01 volume 0.29596E-02 ppm1 1.282 ppm2 0.653 CV 1 OR { 3273} (( segid " A" and resid 220 and name HB2 )) ( segid " A" and resid 225 and name HD1%) ASSI { 3274} (( segid " A" and resid 224 and name HB1 )) ( segid " A" and resid 225 and name HD1%) 3.500 1.500 1.500 peak 3274 spectrum 1 weight 0.10000E+01 volume 0.30869E-02 ppm1 2.990 ppm2 0.639 CV 1 OR { 3274} (( segid " A" and resid 224 and name HB1 )) ( segid " A" and resid 216 and name HG1%) OR { 3274} (( segid " A" and resid 224 and name HB1 )) ( segid " A" and resid 225 and name HG2%) ASSI { 3275} (( segid " A" and resid 213 and name HB )) ( segid " A" and resid 225 and name HG2%) 3.600 1.600 1.600 peak 3275 spectrum 1 weight 0.10000E+01 volume 0.23728E-02 ppm1 1.247 ppm2 0.635 CV 1 OR { 3275} (( segid " A" and resid 213 and name HB )) ( segid " A" and resid 225 and name HD1%) ASSI { 3276} (( segid " A" and resid 217 and name HB2 )) ( segid " A" and resid 216 and name HG1%) 5.300 3.500 0.700 peak 3276 spectrum 1 weight 0.10000E+01 volume 0.70078E-03 ppm1 3.093 ppm2 0.651 CV 1 OR { 3276} (( segid " A" and resid 217 and name HB2 )) ( segid " A" and resid 225 and name HD1%) ASSI { 3277} ( segid " A" and resid 275 and name HD2%) ( segid " A" and resid 228 and name HG2%) 2.100 0.600 0.600 peak 3277 spectrum 1 weight 0.10000E+01 volume 0.21265E-01 ppm1 0.978 ppm2 0.646 CV 1 OR { 3277} ( segid " A" and resid 275 and name HD2%) ( segid " A" and resid 225 and name HD1%) ASSI { 3278} ( segid " A" and resid 220 and name HD2%) ( segid " A" and resid 225 and name HD1%) 2.300 0.700 0.700 peak 3278 spectrum 1 weight 0.10000E+01 volume 0.18909E-01 ppm1 0.931 ppm2 0.654 CV 1 OR { 3278} ( segid " A" and resid 220 and name HD2%) ( segid " A" and resid 216 and name HG1%) ASSI { 3279} ( segid " A" and resid 240 and name HD1%) ( segid " A" and resid 216 and name HG1%) 2.400 0.700 0.700 peak 3279 spectrum 1 weight 0.10000E+01 volume 0.12143E-01 ppm1 -0.053 ppm2 0.659 CV 1 ASSI { 3280} ( segid " A" and resid 240 and name HD2%) ( segid " A" and resid 216 and name HG1%) 2.200 0.600 0.600 peak 3280 spectrum 1 weight 0.10000E+01 volume 0.17170E-01 ppm1 0.108 ppm2 0.652 CV 1 OR { 3280} ( segid " A" and resid 240 and name HD2%) ( segid " A" and resid 225 and name HG2%) ASSI { 3281} ( segid " A" and resid 213 and name HG2%) ( segid " A" and resid 225 and name HG2%) 2.200 0.600 0.600 peak 3281 spectrum 1 weight 0.10000E+01 volume 0.18377E-01 ppm1 0.442 ppm2 0.640 CV 1 OR { 3281} ( segid " A" and resid 213 and name HG2%) ( segid " A" and resid 225 and name HD1%) ASSI { 3282} (( segid " A" and resid 280 and name HB2 )) ( segid " A" and resid 270 and name HE% ) 3.900 1.900 1.900 peak 3282 spectrum 1 weight 0.10000E+01 volume 0.99291E-03 ppm1 2.319 ppm2 0.602 CV 1 ASSI { 3283} (( segid " A" and resid 280 and name HB1 )) ( segid " A" and resid 225 and name HD1%) 4.200 2.200 1.800 peak 3283 spectrum 1 weight 0.10000E+01 volume 0.99125E-03 ppm1 1.360 ppm2 0.608 CV 1 OR { 3283} (( segid " A" and resid 280 and name HB1 )) ( segid " A" and resid 270 and name HE% ) ASSI { 3287} ( segid " A" and resid 141 and name HD1%) ( segid " A" and resid 141 and name HG2%) 1.900 0.400 0.400 peak 3287 spectrum 1 weight 0.10000E+01 volume 0.32268E-01 ppm1 0.743 ppm2 0.615 CV 1 ASSI { 3289} (( segid " A" and resid 125 and name HA )) ( segid " A" and resid 141 and name HG2%) 3.200 1.300 1.300 peak 3289 spectrum 1 weight 0.10000E+01 volume 0.36496E-02 ppm1 3.707 ppm2 0.591 CV 1 ASSI { 3292} (( segid " A" and resid 226 and name HE1 )) ( segid " A" and resid 235 and name HG2%) 2.500 0.800 0.800 peak 3292 spectrum 1 weight 0.10000E+01 volume 0.93049E-02 ppm1 2.874 ppm2 0.579 CV 1 OR { 3292} (( segid " A" and resid 226 and name HE2 )) ( segid " A" and resid 235 and name HG2%) ASSI { 3293} (( segid " A" and resid 273 and name HB1 )) ( segid " A" and resid 270 and name HE% ) 3.400 1.400 1.400 peak 3293 spectrum 1 weight 0.10000E+01 volume 0.12651E-02 ppm1 3.157 ppm2 0.596 CV 1 ASSI { 3295} (( segid " A" and resid 230 and name HG2 )) ( segid " A" and resid 235 and name HG2%) 5.000 3.100 1.000 peak 3295 spectrum 1 weight 0.10000E+01 volume 0.13400E-02 ppm1 2.539 ppm2 0.588 CV 1 OR { 3295} (( segid " A" and resid 230 and name HG1 )) ( segid " A" and resid 235 and name HG2%) ASSI { 3296} (( segid " A" and resid 270 and name HG2 )) ( segid " A" and resid 270 and name HE% ) 3.800 1.800 1.800 peak 3296 spectrum 1 weight 0.10000E+01 volume 0.23629E-02 ppm1 1.863 ppm2 0.598 CV 1 ASSI { 3297} (( segid " A" and resid 270 and name HG1 )) ( segid " A" and resid 270 and name HE% ) 2.900 1.100 1.100 peak 3297 spectrum 1 weight 0.10000E+01 volume 0.29496E-02 ppm1 1.642 ppm2 0.598 CV 1 ASSI { 3298} (( segid " A" and resid 236 and name HB2 )) ( segid " A" and resid 235 and name HG2%) 4.400 2.400 1.600 peak 3298 spectrum 1 weight 0.10000E+01 volume 0.19192E-02 ppm1 1.460 ppm2 0.581 CV 1 OR { 3298} (( segid " A" and resid 158 and name HB )) ( segid " A" and resid 141 and name HG2%) ASSI { 3299} (( segid " A" and resid 256 and name HB2 )) ( segid " A" and resid 235 and name HG2%) 4.100 2.100 1.900 peak 3299 spectrum 1 weight 0.10000E+01 volume 0.13816E-02 ppm1 1.783 ppm2 0.586 CV 1 OR { 3299} (( segid " A" and resid 234 and name HB1 )) ( segid " A" and resid 235 and name HG2%) ASSI { 3300} (( segid " A" and resid 125 and name HB2 )) ( segid " A" and resid 141 and name HG2%) 4.000 2.000 2.000 peak 3300 spectrum 1 weight 0.10000E+01 volume 0.16995E-02 ppm1 2.157 ppm2 0.600 CV 1 ASSI { 3301} (( segid " A" and resid 235 and name HG12)) ( segid " A" and resid 235 and name HG2%) 2.600 0.800 0.800 peak 3301 spectrum 1 weight 0.10000E+01 volume 0.49146E-02 ppm1 1.961 ppm2 0.584 CV 1 ASSI { 3302} (( segid " A" and resid 129 and name HB1 )) ( segid " A" and resid 141 and name HG2%) 5.700 4.100 0.300 peak 3302 spectrum 1 weight 0.10000E+01 volume 0.11411E-02 ppm1 1.881 ppm2 0.594 CV 1 ASSI { 3303} (( segid " A" and resid 226 and name HD2 )) ( segid " A" and resid 235 and name HG2%) 3.500 1.500 1.500 peak 3303 spectrum 1 weight 0.10000E+01 volume 0.41131E-02 ppm1 1.680 ppm2 0.585 CV 1 OR { 3303} (( segid " A" and resid 226 and name HD1 )) ( segid " A" and resid 235 and name HG2%) ASSI { 3304} (( segid " A" and resid 235 and name HG11)) ( segid " A" and resid 235 and name HG2%) 3.500 1.500 1.500 peak 3304 spectrum 1 weight 0.10000E+01 volume 0.31818E-02 ppm1 0.172 ppm2 0.583 CV 1 ASSI { 3305} (( segid " A" and resid 280 and name HG )) ( segid " A" and resid 270 and name HE% ) 4.500 2.600 1.500 peak 3305 spectrum 1 weight 0.10000E+01 volume 0.88888E-03 ppm1 2.231 ppm2 0.597 CV 1 ASSI { 3308} ( segid " A" and resid 235 and name HD1%) ( segid " A" and resid 235 and name HG2%) 1.800 0.400 0.400 peak 3308 spectrum 1 weight 0.10000E+01 volume 0.22813E-01 ppm1 0.701 ppm2 0.598 CV 1 ASSI { 3309} (( segid " A" and resid 163 and name HA )) ( segid " A" and resid 286 and name HG2%) 4.300 2.300 1.700 peak 3309 spectrum 1 weight 0.10000E+01 volume 0.10229E-02 ppm1 4.147 ppm2 0.551 CV 1 ASSI { 3310} (( segid " A" and resid 140 and name HB1 )) ( segid " A" and resid 138 and name HG2%) 4.300 2.300 1.700 peak 3310 spectrum 1 weight 0.10000E+01 volume 0.14632E-02 ppm1 3.754 ppm2 0.567 CV 1 OR { 3310} (( segid " A" and resid 140 and name HB1 )) ( segid " A" and resid 141 and name HG2%) ASSI { 3312} (( segid " A" and resid 158 and name HA )) ( segid " A" and resid 138 and name HG2%) 3.700 1.800 1.800 peak 3312 spectrum 1 weight 0.10000E+01 volume 0.24769E-02 ppm1 4.086 ppm2 0.554 CV 1 ASSI { 3313} (( segid " A" and resid 129 and name HA )) ( segid " A" and resid 138 and name HG2%) 3.400 1.500 1.500 peak 3313 spectrum 1 weight 0.10000E+01 volume 0.29496E-02 ppm1 3.671 ppm2 0.553 CV 1 OR { 3313} (( segid " A" and resid 129 and name HA )) ( segid " A" and resid 128 and name HG2%) ASSI { 3314} (( segid " A" and resid 236 and name HA )) ( segid " A" and resid 235 and name HG2%) 3.600 1.600 1.600 peak 3314 spectrum 1 weight 0.10000E+01 volume 0.21656E-02 ppm1 4.315 ppm2 0.565 CV 1 OR { 3314} (( segid " A" and resid 139 and name HA )) ( segid " A" and resid 138 and name HG2%) ASSI { 3315} (( segid " A" and resid 229 and name HB2 )) ( segid " A" and resid 235 and name HG2%) 4.700 2.800 1.300 peak 3315 spectrum 1 weight 0.10000E+01 volume 0.13250E-02 ppm1 2.853 ppm2 0.557 CV 1 OR { 3315} (( segid " A" and resid 132 and name HB1 )) ( segid " A" and resid 138 and name HG2%) OR { 3315} (( segid " A" and resid 132 and name HB1 )) ( segid " A" and resid 128 and name HG2%) ASSI { 3316} (( segid " A" and resid 139 and name HB2 )) ( segid " A" and resid 138 and name HG2%) 4.800 2.900 1.200 peak 3316 spectrum 1 weight 0.10000E+01 volume 0.10478E-02 ppm1 1.534 ppm2 0.545 CV 1 ASSI { 3317} (( segid " A" and resid 158 and name HB )) ( segid " A" and resid 128 and name HG2%) 4.300 2.300 1.700 peak 3317 spectrum 1 weight 0.10000E+01 volume 0.19475E-02 ppm1 1.433 ppm2 0.561 CV 1 OR { 3317} (( segid " A" and resid 158 and name HB )) ( segid " A" and resid 138 and name HG2%) ASSI { 3318} (( segid " A" and resid 163 and name HB1 )) ( segid " A" and resid 286 and name HG2%) 3.500 1.500 1.500 peak 3318 spectrum 1 weight 0.10000E+01 volume 0.57835E-02 ppm1 1.698 ppm2 0.559 CV 1 ASSI { 3319} ( segid " A" and resid 287 and name HG2%) ( segid " A" and resid 286 and name HG2%) 2.200 0.600 0.600 peak 3319 spectrum 1 weight 0.10000E+01 volume 0.13674E-01 ppm1 1.087 ppm2 0.560 CV 1 ASSI { 3320} ( segid " A" and resid 114 and name HG1%) ( segid " A" and resid 138 and name HG2%) 3.900 1.900 1.900 peak 3320 spectrum 1 weight 0.10000E+01 volume 0.45468E-02 ppm1 0.888 ppm2 0.570 CV 1 OR { 3320} ( segid " A" and resid 114 and name HG1%) ( segid " A" and resid 141 and name HG2%) ASSI { 3321} ( segid " A" and resid 158 and name HG2%) ( segid " A" and resid 128 and name HG2%) 2.200 0.600 0.600 peak 3321 spectrum 1 weight 0.10000E+01 volume 0.16171E-01 ppm1 0.034 ppm2 0.553 CV 1 ASSI { 3322} ( segid " A" and resid 285 and name HB% ) ( segid " A" and resid 286 and name HG2%) 4.500 2.500 1.500 peak 3322 spectrum 1 weight 0.10000E+01 volume 0.21922E-02 ppm1 1.525 ppm2 0.559 CV 1 ASSI { 3323} ( segid " A" and resid 111 and name HE% ) ( segid " A" and resid 286 and name HG2%) 2.300 0.700 0.700 peak 3323 spectrum 1 weight 0.10000E+01 volume 0.17328E-01 ppm1 1.971 ppm2 0.556 CV 1 ASSI { 3328} ( segid " A" and resid 158 and name HG1%) ( segid " A" and resid 138 and name HG2%) 2.500 0.800 0.800 peak 3328 spectrum 1 weight 0.10000E+01 volume 0.11635E-01 ppm1 0.133 ppm2 0.543 CV 1 OR { 3328} ( segid " A" and resid 158 and name HG1%) ( segid " A" and resid 128 and name HG2%) ASSI { 3329} ( segid " A" and resid 131 and name HB% ) ( segid " A" and resid 128 and name HD1%) 3.400 1.500 1.500 peak 3329 spectrum 1 weight 0.10000E+01 volume 0.39617E-02 ppm1 1.448 ppm2 0.516 CV 1 OR { 3329} ( segid " A" and resid 131 and name HB% ) ( segid " A" and resid 128 and name HG2%) ASSI { 3330} (( segid " A" and resid 127 and name HB )) ( segid " A" and resid 128 and name HD1%) 3.900 1.900 1.900 peak 3330 spectrum 1 weight 0.10000E+01 volume 0.13083E-02 ppm1 4.180 ppm2 0.500 CV 1 ASSI { 3331} (( segid " A" and resid 128 and name HG12)) ( segid " A" and resid 128 and name HD1%) 2.200 0.600 0.600 peak 3331 spectrum 1 weight 0.10000E+01 volume 0.10179E-01 ppm1 1.207 ppm2 0.485 CV 1 OR { 3331} (( segid " A" and resid 128 and name HG11)) ( segid " A" and resid 128 and name HD1%) ASSI { 3332} ( segid " A" and resid 127 and name HG2%) ( segid " A" and resid 128 and name HD1%) 3.200 1.300 1.300 peak 3332 spectrum 1 weight 0.10000E+01 volume 0.38859E-02 ppm1 1.325 ppm2 0.496 CV 1 ASSI { 3333} ( segid " A" and resid 123 and name HD1%) ( segid " A" and resid 128 and name HD1%) 2.900 1.000 1.000 peak 3333 spectrum 1 weight 0.10000E+01 volume 0.50619E-02 ppm1 0.930 ppm2 0.508 CV 1 ASSI { 3334} ( segid " A" and resid 173 and name HE% ) ( segid " A" and resid 128 and name HD1%) 4.300 2.300 1.700 peak 3334 spectrum 1 weight 0.10000E+01 volume 0.14723E-02 ppm1 1.391 ppm2 0.497 CV 1 ASSI { 3335} ( segid " A" and resid 183 and name HG2%) (( segid " A" and resid 119 and name HG12)) 2.800 1.000 1.000 peak 3335 spectrum 1 weight 0.10000E+01 volume 0.33566E-02 ppm1 0.951 ppm2 0.452 CV 1 ASSI { 3336} (( segid " A" and resid 225 and name HA )) ( segid " A" and resid 213 and name HG2%) 5.200 3.300 0.800 peak 3336 spectrum 1 weight 0.10000E+01 volume 0.12285E-02 ppm1 3.947 ppm2 0.412 CV 1 ASSI { 3337} (( segid " A" and resid 119 and name HA )) (( segid " A" and resid 119 and name HG12)) 3.000 1.100 1.100 peak 3337 spectrum 1 weight 0.10000E+01 volume 0.23362E-02 ppm1 3.850 ppm2 0.402 CV 1 OR { 3337} (( segid " A" and resid 215 and name HA )) ( segid " A" and resid 216 and name HG2%) ASSI { 3338} (( segid " A" and resid 282 and name HA )) ( segid " A" and resid 213 and name HG1%) 3.300 1.400 1.400 peak 3338 spectrum 1 weight 0.10000E+01 volume 0.18036E-02 ppm1 5.390 ppm2 0.406 CV 1 ASSI { 3339} (( segid " A" and resid 254 and name HA )) ( segid " A" and resid 213 and name HG1%) 3.900 1.900 1.900 peak 3339 spectrum 1 weight 0.10000E+01 volume 0.78235E-03 ppm1 5.772 ppm2 0.403 CV 1 ASSI { 3341} (( segid " A" and resid 280 and name HB1 )) ( segid " A" and resid 213 and name HG1%) 3.400 1.500 1.500 peak 3341 spectrum 1 weight 0.10000E+01 volume 0.17636E-02 ppm1 1.368 ppm2 0.411 CV 1 ASSI { 3342} (( segid " A" and resid 255 and name HB )) ( segid " A" and resid 213 and name HG1%) 3.800 1.800 1.800 peak 3342 spectrum 1 weight 0.10000E+01 volume 0.12617E-02 ppm1 1.229 ppm2 0.405 CV 1 ASSI { 3344} (( segid " A" and resid 255 and name HG12)) ( segid " A" and resid 213 and name HG2%) 4.100 2.100 1.900 peak 3344 spectrum 1 weight 0.10000E+01 volume 0.16970E-02 ppm1 0.588 ppm2 0.421 CV 1 ASSI { 3346} (( segid " A" and resid 211 and name HG11)) ( segid " A" and resid 213 and name HG1%) 2.400 0.700 0.700 peak 3346 spectrum 1 weight 0.10000E+01 volume 0.89720E-02 ppm1 1.072 ppm2 0.404 CV 1 OR { 3346} (( segid " A" and resid 225 and name HG11)) ( segid " A" and resid 216 and name HG2%) OR { 3346} ( segid " A" and resid 280 and name HD1%) ( segid " A" and resid 216 and name HG2%) ASSI { 3348} ( segid " A" and resid 225 and name HG2%) ( segid " A" and resid 213 and name HG2%) 2.200 0.600 0.600 peak 3348 spectrum 1 weight 0.10000E+01 volume 0.12751E-01 ppm1 0.637 ppm2 0.418 CV 1 ASSI { 3349} ( segid " A" and resid 255 and name HD1%) ( segid " A" and resid 213 and name HG2%) 2.700 0.900 0.900 peak 3349 spectrum 1 weight 0.10000E+01 volume 0.11336E-01 ppm1 -0.129 ppm2 0.425 CV 1 ASSI { 3350} (( segid " A" and resid 252 and name HA )) ( segid " A" and resid 216 and name HG2%) 2.700 0.900 0.900 peak 3350 spectrum 1 weight 0.10000E+01 volume 0.34323E-02 ppm1 5.622 ppm2 0.386 CV 1 ASSI { 3351} (( segid " A" and resid 214 and name HA )) ( segid " A" and resid 216 and name HG2%) 2.900 1.000 1.000 peak 3351 spectrum 1 weight 0.10000E+01 volume 0.37586E-02 ppm1 5.096 ppm2 0.387 CV 1 ASSI { 3352} (( segid " A" and resid 211 and name HB )) ( segid " A" and resid 213 and name HG1%) 4.200 2.200 1.800 peak 3352 spectrum 1 weight 0.10000E+01 volume 0.73574E-03 ppm1 1.990 ppm2 0.389 CV 1 ASSI { 3353} (( segid " A" and resid 225 and name HB )) ( segid " A" and resid 213 and name HG1%) 4.600 2.700 1.400 peak 3353 spectrum 1 weight 0.10000E+01 volume 0.12501E-02 ppm1 1.888 ppm2 0.395 CV 1 OR { 3353} (( segid " A" and resid 225 and name HB )) ( segid " A" and resid 216 and name HG2%) ASSI { 3354} (( segid " A" and resid 225 and name HG12)) ( segid " A" and resid 216 and name HG2%) 4.300 2.300 1.700 peak 3354 spectrum 1 weight 0.10000E+01 volume 0.15855E-02 ppm1 1.515 ppm2 0.389 CV 1 OR { 3354} (( segid " A" and resid 225 and name HG12)) ( segid " A" and resid 213 and name HG1%) ASSI { 3355} ( segid " A" and resid 275 and name HD2%) ( segid " A" and resid 216 and name HG2%) 3.900 1.900 1.900 peak 3355 spectrum 1 weight 0.10000E+01 volume 0.30636E-02 ppm1 0.976 ppm2 0.396 CV 1 OR { 3355} ( segid " A" and resid 275 and name HD2%) ( segid " A" and resid 213 and name HG1%) ASSI { 3356} ( segid " A" and resid 220 and name HD2%) ( segid " A" and resid 216 and name HG2%) 4.000 2.000 2.000 peak 3356 spectrum 1 weight 0.10000E+01 volume 0.26542E-02 ppm1 0.932 ppm2 0.390 CV 1 ASSI { 3357} ( segid " A" and resid 240 and name HD1%) ( segid " A" and resid 216 and name HG2%) 3.600 1.600 1.600 peak 3357 spectrum 1 weight 0.10000E+01 volume 0.33566E-02 ppm1 -0.055 ppm2 0.383 CV 1 ASSI { 3358} ( segid " A" and resid 282 and name HG2%) ( segid " A" and resid 213 and name HG1%) 2.300 0.600 0.600 peak 3358 spectrum 1 weight 0.10000E+01 volume 0.88388E-02 ppm1 1.046 ppm2 0.395 CV 1 ASSI { 3361} ( segid " A" and resid 240 and name HD2%) ( segid " A" and resid 216 and name HG2%) 2.300 0.700 0.700 peak 3361 spectrum 1 weight 0.10000E+01 volume 0.15114E-01 ppm1 0.110 ppm2 0.384 CV 1 ASSI { 3362} ( segid " A" and resid 266 and name HB% ) ( segid " A" and resid 213 and name HG1%) 4.500 2.600 1.500 peak 3362 spectrum 1 weight 0.10000E+01 volume 0.12701E-02 ppm1 1.340 ppm2 0.386 CV 1 ASSI { 3363} ( segid " A" and resid 211 and name HD1%) ( segid " A" and resid 213 and name HG1%) 2.800 1.000 1.000 peak 3363 spectrum 1 weight 0.10000E+01 volume 0.69879E-02 ppm1 0.754 ppm2 0.392 CV 1 ASSI { 3364} ( segid " A" and resid 225 and name HD1%) ( segid " A" and resid 216 and name HG2%) 2.700 0.900 0.900 peak 3364 spectrum 1 weight 0.10000E+01 volume 0.11103E-01 ppm1 0.634 ppm2 0.390 CV 1 OR { 3364} ( segid " A" and resid 225 and name HD1%) ( segid " A" and resid 213 and name HG1%) ASSI { 3365} (( segid " A" and resid 138 and name HA )) (( segid " A" and resid 138 and name HG11)) 3.100 1.200 1.200 peak 3365 spectrum 1 weight 0.10000E+01 volume 0.25102E-02 ppm1 3.764 ppm2 0.326 CV 1 ASSI { 3367} (( segid " A" and resid 160 and name HA )) (( segid " A" and resid 138 and name HG11)) 4.900 3.000 1.100 peak 3367 spectrum 1 weight 0.10000E+01 volume 0.90469E-03 ppm1 5.111 ppm2 0.328 CV 1 ASSI { 3368} (( segid " A" and resid 138 and name HB )) (( segid " A" and resid 138 and name HG11)) 2.600 0.900 0.900 peak 3368 spectrum 1 weight 0.10000E+01 volume 0.31152E-02 ppm1 1.651 ppm2 0.324 CV 1 ASSI { 3370} ( segid " A" and resid 158 and name HG1%) (( segid " A" and resid 138 and name HG11)) 3.200 1.300 1.300 peak 3370 spectrum 1 weight 0.10000E+01 volume 0.87723E-02 ppm1 0.131 ppm2 0.334 CV 1 ASSI { 3371} ( segid " A" and resid 138 and name HG2%) (( segid " A" and resid 138 and name HG11)) 2.800 1.000 1.000 peak 3371 spectrum 1 weight 0.10000E+01 volume 0.13083E-01 ppm1 0.541 ppm2 0.322 CV 1 ASSI { 3372} ( segid " A" and resid 133 and name HB% ) (( segid " A" and resid 138 and name HG11)) 3.500 1.600 1.600 peak 3372 spectrum 1 weight 0.10000E+01 volume 0.16021E-02 ppm1 1.617 ppm2 0.317 CV 1 ASSI { 3373} ( segid " A" and resid 138 and name HD1%) (( segid " A" and resid 138 and name HG11)) 2.100 0.500 0.500 peak 3373 spectrum 1 weight 0.10000E+01 volume 0.10046E-01 ppm1 0.770 ppm2 0.326 CV 1 ASSI { 3376} (( segid " A" and resid 183 and name HB )) ( segid " A" and resid 116 and name HG1%) 4.000 2.000 2.000 peak 3376 spectrum 1 weight 0.10000E+01 volume 0.10362E-02 ppm1 2.010 ppm2 0.288 CV 1 ASSI { 3377} (( segid " A" and resid 114 and name HB )) ( segid " A" and resid 116 and name HG1%) 4.500 2.600 1.500 peak 3377 spectrum 1 weight 0.10000E+01 volume 0.17511E-02 ppm1 2.092 ppm2 0.292 CV 1 ASSI { 3378} (( segid " A" and resid 185 and name HB )) ( segid " A" and resid 116 and name HG1%) 4.400 2.400 1.600 peak 3378 spectrum 1 weight 0.10000E+01 volume 0.10362E-02 ppm1 1.891 ppm2 0.295 CV 1 ASSI { 3381} ( segid " A" and resid 114 and name HG2%) ( segid " A" and resid 116 and name HG1%) 2.800 1.000 1.000 peak 3381 spectrum 1 weight 0.10000E+01 volume 0.84893E-02 ppm1 0.928 ppm2 0.291 CV 1 ASSI { 3382} ( segid " A" and resid 114 and name HG1%) ( segid " A" and resid 116 and name HG1%) 2.500 0.800 0.800 peak 3382 spectrum 1 weight 0.10000E+01 volume 0.83728E-02 ppm1 0.897 ppm2 0.292 CV 1 ASSI { 3383} ( segid " A" and resid 158 and name HG2%) ( segid " A" and resid 116 and name HG1%) 2.400 0.700 0.700 peak 3383 spectrum 1 weight 0.10000E+01 volume 0.12409E-01 ppm1 0.034 ppm2 0.291 CV 1 ASSI { 3384} ( segid " A" and resid 169 and name HB% ) ( segid " A" and resid 116 and name HG1%) 4.400 2.400 1.600 peak 3384 spectrum 1 weight 0.10000E+01 volume 0.93715E-03 ppm1 1.348 ppm2 0.304 CV 1 ASSI { 3385} ( segid " A" and resid 173 and name HE% ) ( segid " A" and resid 116 and name HG1%) 4.400 2.400 1.600 peak 3385 spectrum 1 weight 0.10000E+01 volume 0.12434E-02 ppm1 1.393 ppm2 0.290 CV 1 ASSI { 3386} ( segid " A" and resid 183 and name HD1%) ( segid " A" and resid 116 and name HG1%) 3.100 1.200 1.200 peak 3386 spectrum 1 weight 0.10000E+01 volume 0.31718E-02 ppm1 0.869 ppm2 0.291 CV 1 ASSI { 3387} (( segid " A" and resid 134 and name HA )) (( segid " A" and resid 134 and name HB1 )) 2.800 1.000 1.000 peak 3387 spectrum 1 weight 0.10000E+01 volume 0.36737E-02 ppm1 4.045 ppm2 0.267 CV 1 ASSI { 3391} (( segid " A" and resid 134 and name HG2 )) (( segid " A" and resid 134 and name HB1 )) 3.400 1.400 1.400 peak 3391 spectrum 1 weight 0.10000E+01 volume 0.19192E-02 ppm1 1.777 ppm2 0.268 CV 1 ASSI { 3395} ( segid " A" and resid 128 and name HD1%) ( segid " A" and resid 119 and name HD1%) 2.600 0.900 0.900 peak 3395 spectrum 1 weight 0.10000E+01 volume 0.79433E-02 ppm1 0.489 ppm2 0.258 CV 1 ASSI { 3398} (( segid " A" and resid 229 and name HB2 )) ( segid " A" and resid 255 and name HG2%) 4.100 2.100 1.900 peak 3398 spectrum 1 weight 0.10000E+01 volume 0.10462E-02 ppm1 2.830 ppm2 0.223 CV 1 ASSI { 3400} (( segid " A" and resid 211 and name HG11)) ( segid " A" and resid 255 and name HG2%) 4.400 2.400 1.600 peak 3400 spectrum 1 weight 0.10000E+01 volume 0.18527E-02 ppm1 1.068 ppm2 0.234 CV 1 ASSI { 3401} ( segid " A" and resid 213 and name HG2%) ( segid " A" and resid 255 and name HG2%) 4.000 2.000 2.000 peak 3401 spectrum 1 weight 0.10000E+01 volume 0.53358E-02 ppm1 0.442 ppm2 0.238 CV 1 ASSI { 3402} ( segid " A" and resid 266 and name HB% ) ( segid " A" and resid 255 and name HG2%) 3.100 1.200 1.200 peak 3402 spectrum 1 weight 0.10000E+01 volume 0.10695E-02 ppm1 1.339 ppm2 0.224 CV 1 ASSI { 3403} ( segid " A" and resid 225 and name HG2%) ( segid " A" and resid 255 and name HG2%) 4.600 2.700 1.400 peak 3403 spectrum 1 weight 0.10000E+01 volume 0.27707E-02 ppm1 0.637 ppm2 0.232 CV 1 ASSI { 3404} ( segid " A" and resid 211 and name HD1%) ( segid " A" and resid 255 and name HG2%) 3.200 1.300 1.300 peak 3404 spectrum 1 weight 0.10000E+01 volume 0.44669E-02 ppm1 0.753 ppm2 0.227 CV 1 ASSI { 3405} (( segid " A" and resid 226 and name HA )) (( segid " A" and resid 235 and name HG11)) 4.800 2.900 1.200 peak 3405 spectrum 1 weight 0.10000E+01 volume 0.98293E-03 ppm1 3.699 ppm2 0.197 CV 1 ASSI { 3406} (( segid " A" and resid 257 and name HA )) ( segid " A" and resid 255 and name HG2%) 4.600 2.600 1.400 peak 3406 spectrum 1 weight 0.10000E+01 volume 0.78900E-03 ppm1 4.950 ppm2 0.205 CV 1 OR { 3406} (( segid " A" and resid 257 and name HA )) (( segid " A" and resid 235 and name HG11)) ASSI { 3407} (( segid " A" and resid 226 and name HE1 )) ( segid " A" and resid 255 and name HG2%) 4.600 2.600 1.400 peak 3407 spectrum 1 weight 0.10000E+01 volume 0.14657E-02 ppm1 2.873 ppm2 0.214 CV 1 OR { 3407} (( segid " A" and resid 226 and name HE2 )) ( segid " A" and resid 255 and name HG2%) ASSI { 3408} (( segid " A" and resid 256 and name HB2 )) ( segid " A" and resid 255 and name HG2%) 4.500 2.500 1.500 peak 3408 spectrum 1 weight 0.10000E+01 volume 0.10279E-02 ppm1 1.783 ppm2 0.219 CV 1 ASSI { 3409} ( segid " A" and resid 235 and name HG2%) ( segid " A" and resid 255 and name HG2%) 2.100 0.500 0.500 peak 3409 spectrum 1 weight 0.10000E+01 volume 0.13167E-01 ppm1 0.579 ppm2 0.217 CV 1 ASSI { 3411} (( segid " A" and resid 235 and name HA )) (( segid " A" and resid 235 and name HG11)) 3.100 1.200 1.200 peak 3411 spectrum 1 weight 0.10000E+01 volume 0.31061E-02 ppm1 4.025 ppm2 0.182 CV 1 ASSI { 3412} (( segid " A" and resid 235 and name HB )) (( segid " A" and resid 235 and name HG11)) 2.500 0.800 0.800 peak 3412 spectrum 1 weight 0.10000E+01 volume 0.34981E-02 ppm1 1.643 ppm2 0.174 CV 1 ASSI { 3413} (( segid " A" and resid 230 and name HG2 )) (( segid " A" and resid 235 and name HG11)) 4.200 2.200 1.800 peak 3413 spectrum 1 weight 0.10000E+01 volume 0.11843E-02 ppm1 2.544 ppm2 0.186 CV 1 OR { 3413} (( segid " A" and resid 230 and name HG1 )) (( segid " A" and resid 235 and name HG11)) ASSI { 3414} (( segid " A" and resid 235 and name HG12)) (( segid " A" and resid 235 and name HG11)) 1.800 0.400 0.400 peak 3414 spectrum 1 weight 0.10000E+01 volume 0.68647E-02 ppm1 1.961 ppm2 0.180 CV 1 ASSI { 3415} (( segid " A" and resid 230 and name HB2 )) (( segid " A" and resid 235 and name HG11)) 3.400 1.500 1.500 peak 3415 spectrum 1 weight 0.10000E+01 volume 0.84227E-03 ppm1 2.107 ppm2 0.188 CV 1 ASSI { 3418} (( segid " A" and resid 114 and name HB )) ( segid " A" and resid 158 and name HG1%) 4.400 2.400 1.600 peak 3418 spectrum 1 weight 0.10000E+01 volume 0.15763E-02 ppm1 2.092 ppm2 0.135 CV 1 ASSI { 3419} (( segid " A" and resid 138 and name HA )) ( segid " A" and resid 158 and name HG1%) 4.000 2.000 2.000 peak 3419 spectrum 1 weight 0.10000E+01 volume 0.11011E-02 ppm1 3.767 ppm2 0.127 CV 1 ASSI { 3422} (( segid " A" and resid 213 and name HB )) ( segid " A" and resid 240 and name HD2%) 4.400 2.400 1.600 peak 3422 spectrum 1 weight 0.10000E+01 volume 0.11044E-02 ppm1 1.247 ppm2 0.116 CV 1 ASSI { 3424} (( segid " A" and resid 216 and name HB )) ( segid " A" and resid 240 and name HD2%) 3.800 1.800 1.800 peak 3424 spectrum 1 weight 0.10000E+01 volume 0.15364E-02 ppm1 1.299 ppm2 0.107 CV 1 ASSI { 3427} ( segid " A" and resid 216 and name HG1%) ( segid " A" and resid 240 and name HD2%) 2.500 0.800 0.800 peak 3427 spectrum 1 weight 0.10000E+01 volume 0.78576E-02 ppm1 0.669 ppm2 0.107 CV 1 ASSI { 3428} ( segid " A" and resid 216 and name HG2%) ( segid " A" and resid 240 and name HD2%) 2.300 0.700 0.700 peak 3428 spectrum 1 weight 0.10000E+01 volume 0.14149E-01 ppm1 0.382 ppm2 0.112 CV 1 ASSI { 3429} ( segid " A" and resid 114 and name HG1%) ( segid " A" and resid 158 and name HG1%) 3.300 1.400 1.400 peak 3429 spectrum 1 weight 0.10000E+01 volume 0.46200E-02 ppm1 0.897 ppm2 0.130 CV 1 ASSI { 3430} ( segid " A" and resid 241 and name HB% ) ( segid " A" and resid 240 and name HD2%) 4.900 3.000 1.100 peak 3430 spectrum 1 weight 0.10000E+01 volume 0.18527E-02 ppm1 0.773 ppm2 0.111 CV 1 ASSI { 3431} ( segid " A" and resid 169 and name HB% ) ( segid " A" and resid 158 and name HG1%) 3.100 1.200 1.200 peak 3431 spectrum 1 weight 0.10000E+01 volume 0.11377E-02 ppm1 1.347 ppm2 0.124 CV 1 ASSI { 3432} ( segid " A" and resid 225 and name HG2%) ( segid " A" and resid 240 and name HD2%) 3.000 1.100 1.100 peak 3432 spectrum 1 weight 0.10000E+01 volume 0.64202E-02 ppm1 0.637 ppm2 0.106 CV 1 ASSI { 3433} ( segid " A" and resid 138 and name HG2%) ( segid " A" and resid 158 and name HG1%) 2.400 0.700 0.700 peak 3433 spectrum 1 weight 0.10000E+01 volume 0.13217E-01 ppm1 0.542 ppm2 0.127 CV 1 OR { 3433} ( segid " A" and resid 128 and name HG2%) ( segid " A" and resid 158 and name HG1%) ASSI { 3434} ( segid " A" and resid 133 and name HB% ) ( segid " A" and resid 158 and name HG1%) 5.700 4.100 0.300 peak 3434 spectrum 1 weight 0.10000E+01 volume 0.67165E-03 ppm1 1.615 ppm2 0.132 CV 1 ASSI { 3435} ( segid " A" and resid 138 and name HD1%) ( segid " A" and resid 158 and name HG1%) 2.600 0.800 0.800 peak 3435 spectrum 1 weight 0.10000E+01 volume 0.85309E-02 ppm1 0.769 ppm2 0.130 CV 1 ASSI { 3436} ( segid " A" and resid 225 and name HD1%) ( segid " A" and resid 240 and name HD2%) 2.600 2.600 3.400 peak 3436 spectrum 1 weight 0.10000E+01 volume 0.34232E-02 ppm1 0.634 ppm2 0.106 CV 1 ASSI { 3437} ( segid " A" and resid 275 and name HD2%) ( segid " A" and resid 240 and name HD2%) 3.100 3.100 2.900 peak 3437 spectrum 1 weight 0.10000E+01 volume 0.99957E-03 ppm1 0.975 ppm2 0.096 CV 1 ASSI { 3438} ( segid " A" and resid 220 and name HD2%) ( segid " A" and resid 240 and name HD2%) 4.700 2.700 1.300 peak 3438 spectrum 1 weight 0.10000E+01 volume 0.11710E-02 ppm1 0.925 ppm2 0.095 CV 1 ASSI { 3439} ( segid " A" and resid 213 and name HG2%) ( segid " A" and resid 240 and name HD2%) 3.100 1.200 1.200 peak 3439 spectrum 1 weight 0.10000E+01 volume 0.31677E-02 ppm1 0.441 ppm2 0.099 CV 1 ASSI { 3440} (( segid " A" and resid 157 and name HA )) ( segid " A" and resid 158 and name HG2%) 3.900 1.900 1.900 peak 3440 spectrum 1 weight 0.10000E+01 volume 0.18177E-02 ppm1 5.472 ppm2 0.031 CV 1 ASSI { 3442} ( segid " A" and resid 114 and name HG2%) ( segid " A" and resid 158 and name HG2%) 4.100 2.100 1.900 peak 3442 spectrum 1 weight 0.10000E+01 volume 0.32526E-02 ppm1 0.926 ppm2 0.042 CV 1 ASSI { 3443} ( segid " A" and resid 116 and name HG2%) ( segid " A" and resid 158 and name HG2%) 3.000 1.100 1.100 peak 3443 spectrum 1 weight 0.10000E+01 volume 0.25601E-02 ppm1 0.715 ppm2 0.035 CV 1 ASSI { 3445} ( segid " A" and resid 114 and name HG1%) ( segid " A" and resid 158 and name HG2%) 3.500 1.500 1.500 peak 3445 spectrum 1 weight 0.10000E+01 volume 0.53158E-02 ppm1 0.897 ppm2 0.036 CV 1 ASSI { 3447} ( segid " A" and resid 141 and name HG2%) ( segid " A" and resid 158 and name HG2%) 2.600 0.900 0.900 peak 3447 spectrum 1 weight 0.10000E+01 volume 0.70070E-02 ppm1 0.599 ppm2 0.034 CV 1 ASSI { 3448} ( segid " A" and resid 141 and name HD1%) ( segid " A" and resid 158 and name HG2%) 2.800 1.000 1.000 peak 3448 spectrum 1 weight 0.10000E+01 volume 0.64202E-02 ppm1 0.746 ppm2 0.036 CV 1 ASSI { 3449} ( segid " A" and resid 128 and name HD1%) ( segid " A" and resid 158 and name HG2%) 4.200 2.200 1.800 peak 3449 spectrum 1 weight 0.10000E+01 volume 0.18693E-02 ppm1 0.487 ppm2 0.032 CV 1 ASSI { 3453} (( segid " A" and resid 225 and name HB )) ( segid " A" and resid 240 and name HD1%) 3.800 1.800 1.800 peak 3453 spectrum 1 weight 0.10000E+01 volume 0.17278E-02 ppm1 1.887 ppm2 -0.063 CV 1 ASSI { 3455} (( segid " A" and resid 216 and name HB )) ( segid " A" and resid 240 and name HD1%) 4.100 2.100 1.900 peak 3455 spectrum 1 weight 0.10000E+01 volume 0.10079E-02 ppm1 1.292 ppm2 -0.057 CV 1 ASSI { 3456} (( segid " A" and resid 225 and name HG12)) ( segid " A" and resid 240 and name HD1%) 3.000 1.100 1.100 peak 3456 spectrum 1 weight 0.10000E+01 volume 0.18102E-02 ppm1 1.515 ppm2 -0.056 CV 1 ASSI { 3457} ( segid " A" and resid 220 and name HD2%) ( segid " A" and resid 240 and name HD1%) 4.200 2.300 1.800 peak 3457 spectrum 1 weight 0.10000E+01 volume 0.12767E-02 ppm1 0.929 ppm2 -0.047 CV 1 ASSI { 3458} ( segid " A" and resid 216 and name HG1%) ( segid " A" and resid 240 and name HD1%) 2.400 0.700 0.700 peak 3458 spectrum 1 weight 0.10000E+01 volume 0.98293E-02 ppm1 0.668 ppm2 -0.054 CV 1 ASSI { 3459} ( segid " A" and resid 225 and name HD1%) ( segid " A" and resid 240 and name HD1%) 2.800 0.900 0.900 peak 3459 spectrum 1 weight 0.10000E+01 volume 0.22230E-02 ppm1 0.634 ppm2 -0.063 CV 1 ASSI { 3461} (( segid " A" and resid 211 and name HB )) ( segid " A" and resid 255 and name HD1%) 5.200 3.400 0.800 peak 3461 spectrum 1 weight 0.10000E+01 volume 0.72409E-03 ppm1 1.982 ppm2 -0.118 CV 1 ASSI { 3464} (( segid " A" and resid 213 and name HB )) ( segid " A" and resid 255 and name HD1%) 4.200 2.200 1.800 peak 3464 spectrum 1 weight 0.10000E+01 volume 0.20283E-02 ppm1 1.249 ppm2 -0.129 CV 1 ASSI { 3465} ( segid " A" and resid 282 and name HG2%) ( segid " A" and resid 255 and name HD1%) 3.000 3.000 3.000 peak 3465 spectrum 1 weight 0.10000E+01 volume 0.12584E-02 ppm1 1.050 ppm2 -0.129 CV 1 ASSI { 3466} ( segid " A" and resid 267 and name HG2%) ( segid " A" and resid 255 and name HD1%) 3.000 3.000 3.000 peak 3466 spectrum 1 weight 0.10000E+01 volume 0.14457E-02 ppm1 1.007 ppm2 -0.126 CV 1 OR { 3466} ( segid " A" and resid 282 and name HG1%) ( segid " A" and resid 255 and name HD1%) ASSI { 3467} ( segid " A" and resid 213 and name HG1%) ( segid " A" and resid 255 and name HD1%) 2.300 0.700 0.700 peak 3467 spectrum 1 weight 0.10000E+01 volume 0.13242E-01 ppm1 0.384 ppm2 -0.126 CV 1 ASSI { 3469} ( segid " A" and resid 266 and name HB% ) ( segid " A" and resid 255 and name HD1%) 3.000 3.000 3.000 peak 3469 spectrum 1 weight 0.10000E+01 volume 0.13550E-02 ppm1 1.337 ppm2 -0.126 CV 1 ASSI { 3470} ( segid " A" and resid 225 and name HG2%) ( segid " A" and resid 255 and name HD1%) 2.000 0.500 0.500 peak 3470 spectrum 1 weight 0.10000E+01 volume 0.14981E-01 ppm1 0.638 ppm2 -0.128 CV 1 ASSI { 3471} ( segid " A" and resid 235 and name HG2%) ( segid " A" and resid 255 and name HD1%) 3.800 1.800 1.800 peak 3471 spectrum 1 weight 0.10000E+01 volume 0.20657E-02 ppm1 0.579 ppm2 -0.125 CV 1 ASSI { 3472} ( segid " A" and resid 235 and name HD1%) ( segid " A" and resid 255 and name HD1%) 2.900 1.000 1.000 peak 3472 spectrum 1 weight 0.10000E+01 volume 0.39617E-02 ppm1 0.701 ppm2 -0.130 CV 1 ASSI { 3473} (( segid " A" and resid 211 and name HG12)) ( segid " A" and resid 255 and name HD1%) 4.500 2.500 1.500 peak 3473 spectrum 1 weight 0.10000E+01 volume 0.12151E-02 ppm1 1.264 ppm2 -0.135 CV 1 ASSI { 3474} ( segid " A" and resid 211 and name HG2%) ( segid " A" and resid 255 and name HD1%) 5.000 3.100 1.000 peak 3474 spectrum 1 weight 0.10000E+01 volume 0.13117E-02 ppm1 0.968 ppm2 -0.135 CV 1 ASSI { 3475} (( segid " A" and resid 257 and name HA )) (( segid " A" and resid 257 and name HB1 )) 3.400 1.500 1.500 peak 3475 spectrum 1 weight 0.10000E+01 volume 0.56762E-03 ppm1 4.957 ppm2 2.758 CV 1 ASSI { 3476} (( segid " A" and resid 250 and name HB2 )) (( segid " A" and resid 250 and name HG1 )) 2.300 0.700 0.700 peak 3476 spectrum 1 weight 0.10000E+01 volume 0.67423E-02 ppm1 2.462 ppm2 1.360 CV 1 ASSI { 3477} (( segid " A" and resid 111 and name HA )) (( segid " A" and resid 111 and name HG2 )) 3.000 1.100 1.100 peak 3477 spectrum 1 weight 0.10000E+01 volume 0.37919E-02 ppm1 3.904 ppm2 2.605 CV 1 OR { 3477} (( segid " A" and resid 111 and name HA )) (( segid " A" and resid 111 and name HG1 )) ASSI { 3480} (( segid " A" and resid 111 and name HG2 )) (( segid " A" and resid 286 and name HB )) 3.000 3.000 3.000 peak 3480 spectrum 1 weight 0.10000E+01 volume 0.12309E-01 ppm1 2.599 ppm2 2.378 CV 1 OR { 3480} (( segid " A" and resid 111 and name HG1 )) (( segid " A" and resid 286 and name HB )) OR { 3480} (( segid " A" and resid 111 and name HG2 )) (( segid " A" and resid 195 and name HG2 )) OR { 3480} (( segid " A" and resid 111 and name HG2 )) (( segid " A" and resid 195 and name HG1 )) ASSI { 3481} ( segid " A" and resid 111 and name HE% ) (( segid " A" and resid 111 and name HB1 )) 2.200 0.600 0.600 peak 3481 spectrum 1 weight 0.10000E+01 volume 0.15905E-01 ppm1 1.971 ppm2 2.288 CV 1 OR { 3481} ( segid " A" and resid 111 and name HE% ) (( segid " A" and resid 111 and name HB2 )) ASSI { 3482} (( segid " A" and resid 113 and name HA )) (( segid " A" and resid 113 and name HG2 )) 2.500 0.800 0.800 peak 3482 spectrum 1 weight 0.10000E+01 volume 0.52018E-02 ppm1 5.376 ppm2 1.747 CV 1 ASSI { 3483} ( segid " A" and resid 138 and name HG2%) (( segid " A" and resid 138 and name HA )) 2.200 0.600 0.600 peak 3483 spectrum 1 weight 0.10000E+01 volume 0.13183E-01 ppm1 0.534 ppm2 3.750 CV 1 ASSI { 3484} ( segid " A" and resid 138 and name HG2%) (( segid " A" and resid 138 and name HG12)) 2.400 0.700 0.700 peak 3484 spectrum 1 weight 0.10000E+01 volume 0.73474E-02 ppm1 0.540 ppm2 1.914 CV 1 ASSI { 3485} ( segid " A" and resid 138 and name HD1%) (( segid " A" and resid 138 and name HA )) 3.800 1.800 1.800 peak 3485 spectrum 1 weight 0.10000E+01 volume 0.29313E-02 ppm1 0.764 ppm2 3.768 CV 1 ASSI { 3486} ( segid " A" and resid 138 and name HD1%) (( segid " A" and resid 138 and name HG12)) 2.000 0.500 0.500 peak 3486 spectrum 1 weight 0.10000E+01 volume 0.12276E-01 ppm1 0.773 ppm2 1.909 CV 1 ASSI { 3487} (( segid " A" and resid 128 and name HG11)) ( segid " A" and resid 128 and name HG2%) 2.500 0.800 0.800 peak 3487 spectrum 1 weight 0.10000E+01 volume 0.89970E-02 ppm1 1.205 ppm2 0.516 CV 1 OR { 3487} (( segid " A" and resid 128 and name HG12)) ( segid " A" and resid 128 and name HG2%) ASSI { 3488} (( segid " A" and resid 129 and name HA )) (( segid " A" and resid 129 and name HB1 )) 2.800 1.000 1.000 peak 3488 spectrum 1 weight 0.10000E+01 volume 0.55164E-02 ppm1 3.665 ppm2 1.903 CV 1 ASSI { 3489} (( segid " A" and resid 130 and name HB1 )) (( segid " A" and resid 130 and name HA )) 2.200 0.600 0.600 peak 3489 spectrum 1 weight 0.10000E+01 volume 0.27382E-01 ppm1 2.172 ppm2 4.041 CV 1 OR { 3489} (( segid " A" and resid 130 and name HB2 )) (( segid " A" and resid 130 and name HA )) ASSI { 3490} (( segid " A" and resid 130 and name HB1 )) (( segid " A" and resid 130 and name HG2 )) 2.300 0.700 0.700 peak 3490 spectrum 1 weight 0.10000E+01 volume 0.16845E-01 ppm1 2.177 ppm2 2.539 CV 1 OR { 3490} (( segid " A" and resid 130 and name HB2 )) (( segid " A" and resid 130 and name HG2 )) ASSI { 3491} (( segid " A" and resid 132 and name HB2 )) (( segid " A" and resid 132 and name HB1 )) 2.100 0.500 0.500 peak 3491 spectrum 1 weight 0.10000E+01 volume 0.35172E-02 ppm1 3.539 ppm2 2.858 CV 1 ASSI { 3493} (( segid " A" and resid 159 and name HB2 )) (( segid " A" and resid 160 and name HN )) 4.800 2.800 1.200 peak 3493 spectrum 1 weight 0.10000E+01 volume 0.10295E-02 ppm1 2.050 ppm2 8.952 CV 1 ASSI { 3494} (( segid " A" and resid 161 and name HA )) (( segid " A" and resid 161 and name HB1 )) 2.400 0.700 0.700 peak 3494 spectrum 1 weight 0.10000E+01 volume 0.10628E-01 ppm1 4.209 ppm2 1.980 CV 1 ASSI { 3495} (( segid " A" and resid 161 and name HA )) (( segid " A" and resid 161 and name HG2 )) 2.500 0.800 0.800 peak 3495 spectrum 1 weight 0.10000E+01 volume 0.10978E-01 ppm1 4.215 ppm2 2.271 CV 1 OR { 3495} (( segid " A" and resid 161 and name HA )) (( segid " A" and resid 161 and name HG1 )) ASSI { 3498} (( segid " A" and resid 170 and name HG )) ( segid " A" and resid 170 and name HD2%) 2.200 0.600 0.600 peak 3498 spectrum 1 weight 0.10000E+01 volume 0.16038E-01 ppm1 1.714 ppm2 0.800 CV 1 OR { 3498} (( segid " A" and resid 170 and name HG )) ( segid " A" and resid 170 and name HD1%) ASSI { 3499} (( segid " A" and resid 168 and name HB1 )) (( segid " A" and resid 168 and name HG )) 2.000 0.500 0.500 peak 3499 spectrum 1 weight 0.10000E+01 volume 0.13408E-01 ppm1 1.547 ppm2 1.874 CV 1 ASSI { 3500} ( segid " A" and resid 168 and name HD2%) (( segid " A" and resid 168 and name HG )) 1.900 0.400 0.400 peak 3500 spectrum 1 weight 0.10000E+01 volume 0.24469E-01 ppm1 1.023 ppm2 1.883 CV 1 ASSI { 3501} ( segid " A" and resid 201 and name HD2%) (( segid " A" and resid 201 and name HG )) 2.100 0.500 0.500 peak 3501 spectrum 1 weight 0.10000E+01 volume 0.20433E-01 ppm1 0.807 ppm2 1.857 CV 1 ASSI { 3502} (( segid " A" and resid 173 and name HA )) (( segid " A" and resid 173 and name HB2 )) 2.900 1.000 1.000 peak 3502 spectrum 1 weight 0.10000E+01 volume 0.47940E-02 ppm1 5.044 ppm2 2.142 CV 1 ASSI { 3503} (( segid " A" and resid 173 and name HB2 )) (( segid " A" and resid 173 and name HN )) 3.100 1.200 1.200 peak 3503 spectrum 1 weight 0.10000E+01 volume 0.17653E-02 ppm1 2.143 ppm2 8.105 CV 1 ASSI { 3504} (( segid " A" and resid 174 and name HB1 )) (( segid " A" and resid 174 and name HA )) 3.100 1.200 1.200 peak 3504 spectrum 1 weight 0.10000E+01 volume 0.37303E-02 ppm1 2.877 ppm2 4.484 CV 1 ASSI { 3505} (( segid " A" and resid 174 and name HB2 )) (( segid " A" and resid 174 and name HA )) 2.900 1.000 1.000 peak 3505 spectrum 1 weight 0.10000E+01 volume 0.44402E-02 ppm1 2.963 ppm2 4.487 CV 1 ASSI { 3506} (( segid " A" and resid 185 and name HA )) (( segid " A" and resid 186 and name HN )) 2.400 0.700 0.700 peak 3506 spectrum 1 weight 0.10000E+01 volume 0.58243E-02 ppm1 5.360 ppm2 9.006 CV 1 ASSI { 3507} (( segid " A" and resid 176 and name HB )) (( segid " A" and resid 177 and name HN )) 2.500 0.800 0.800 peak 3507 spectrum 1 weight 0.10000E+01 volume 0.49546E-02 ppm1 2.078 ppm2 8.276 CV 1 ASSI { 3508} ( segid " A" and resid 169 and name HB% ) (( segid " A" and resid 170 and name HN )) 2.500 0.800 0.800 peak 3508 spectrum 1 weight 0.10000E+01 volume 0.85975E-02 ppm1 1.351 ppm2 8.007 CV 1 ASSI { 3509} (( segid " A" and resid 168 and name HA )) (( segid " A" and resid 169 and name HN )) 3.300 1.400 1.400 peak 3509 spectrum 1 weight 0.10000E+01 volume 0.22696E-02 ppm1 4.028 ppm2 7.742 CV 1 ASSI { 3510} (( segid " A" and resid 167 and name HA )) (( segid " A" and resid 168 and name HN )) 3.500 1.500 1.500 peak 3510 spectrum 1 weight 0.10000E+01 volume 0.16637E-02 ppm1 3.723 ppm2 7.464 CV 1 ASSI { 3511} ( segid " A" and resid 166 and name HB% ) (( segid " A" and resid 167 and name HN )) 2.400 0.700 0.700 peak 3511 spectrum 1 weight 0.10000E+01 volume 0.91468E-02 ppm1 1.463 ppm2 7.392 CV 1 ASSI { 3512} (( segid " A" and resid 161 and name HB1 )) (( segid " A" and resid 162 and name HN )) 3.600 1.600 1.600 peak 3512 spectrum 1 weight 0.10000E+01 volume 0.31485E-02 ppm1 1.976 ppm2 6.862 CV 1 ASSI { 3513} (( segid " A" and resid 159 and name HA )) (( segid " A" and resid 160 and name HN )) 2.600 0.800 0.800 peak 3513 spectrum 1 weight 0.10000E+01 volume 0.38676E-02 ppm1 5.015 ppm2 8.953 CV 1 ASSI { 3514} ( segid " A" and resid 156 and name HB% ) (( segid " A" and resid 156 and name HN )) 2.900 1.100 1.100 peak 3514 spectrum 1 weight 0.10000E+01 volume 0.36404E-02 ppm1 0.841 ppm2 9.093 CV 1 ASSI { 3515} (( segid " A" and resid 142 and name HA )) (( segid " A" and resid 143 and name HN )) 2.900 1.100 1.100 peak 3515 spectrum 1 weight 0.10000E+01 volume 0.32617E-02 ppm1 5.031 ppm2 8.600 CV 1 ASSI { 3516} (( segid " A" and resid 139 and name HA )) (( segid " A" and resid 140 and name HN )) 3.800 1.800 1.800 peak 3516 spectrum 1 weight 0.10000E+01 volume 0.11477E-02 ppm1 4.327 ppm2 7.740 CV 1 ASSI { 3517} (( segid " A" and resid 130 and name HB2 )) (( segid " A" and resid 131 and name HN )) 2.600 0.800 0.800 peak 3517 spectrum 1 weight 0.10000E+01 volume 0.90636E-02 ppm1 2.177 ppm2 7.754 CV 1 OR { 3517} (( segid " A" and resid 130 and name HB1 )) (( segid " A" and resid 131 and name HN )) ASSI { 3518} (( segid " A" and resid 111 and name HA )) (( segid " A" and resid 112 and name HN )) 3.900 1.900 1.900 peak 3518 spectrum 1 weight 0.10000E+01 volume 0.11178E-02 ppm1 3.906 ppm2 7.241 CV 1 ASSI { 3519} (( segid " A" and resid 108 and name HA )) (( segid " A" and resid 109 and name HN )) 3.400 1.400 1.400 peak 3519 spectrum 1 weight 0.10000E+01 volume 0.17611E-02 ppm1 4.008 ppm2 7.418 CV 1 ASSI { 3520} (( segid " A" and resid 196 and name HB2 )) (( segid " A" and resid 196 and name HA )) 2.900 1.100 1.100 peak 3520 spectrum 1 weight 0.10000E+01 volume 0.90636E-02 ppm1 2.389 ppm2 4.443 CV 1 ASSI { 3522} (( segid " A" and resid 196 and name HG1 )) (( segid " A" and resid 196 and name HB2 )) 2.400 0.700 0.700 peak 3522 spectrum 1 weight 0.10000E+01 volume 0.31469E-01 ppm1 2.079 ppm2 2.391 CV 1 ASSI { 3527} (( segid " A" and resid 185 and name HB )) ( segid " A" and resid 185 and name HG2%) 2.100 0.600 0.600 peak 3527 spectrum 1 weight 0.10000E+01 volume 0.21606E-01 ppm1 1.895 ppm2 1.001 CV 1 OR { 3527} (( segid " A" and resid 185 and name HB )) ( segid " A" and resid 185 and name HG1%) ASSI { 3528} (( segid " A" and resid 185 and name HA )) ( segid " A" and resid 185 and name HG1%) 2.400 0.700 0.700 peak 3528 spectrum 1 weight 0.10000E+01 volume 0.11327E-01 ppm1 5.361 ppm2 1.001 CV 1 OR { 3528} (( segid " A" and resid 185 and name HA )) ( segid " A" and resid 185 and name HG2%) ASSI { 3532} ( segid " A" and resid 116 and name HG2%) (( segid " A" and resid 116 and name HN )) 3.100 1.200 1.200 peak 3532 spectrum 1 weight 0.10000E+01 volume 0.17919E-02 ppm1 0.718 ppm2 8.372 CV 1 ASSI { 3533} ( segid " A" and resid 116 and name HG2%) ( segid " A" and resid 132 and name HD% ) 4.500 2.500 1.500 peak 3533 spectrum 1 weight 0.10000E+01 volume 0.14582E-02 ppm1 0.719 ppm2 7.970 CV 1 OR { 3533} ( segid " A" and resid 116 and name HG2%) (( segid " A" and resid 184 and name HN )) ASSI { 3534} ( segid " A" and resid 116 and name HG2%) (( segid " A" and resid 185 and name HA )) 4.300 2.300 1.700 peak 3534 spectrum 1 weight 0.10000E+01 volume 0.13999E-02 ppm1 0.717 ppm2 5.360 CV 1 ASSI { 3535} ( segid " A" and resid 116 and name HG2%) (( segid " A" and resid 116 and name HA )) 3.000 1.100 1.100 peak 3535 spectrum 1 weight 0.10000E+01 volume 0.66474E-02 ppm1 0.718 ppm2 4.597 CV 1 ASSI { 3536} ( segid " A" and resid 116 and name HG2%) (( segid " A" and resid 119 and name HG11)) 3.300 1.400 1.400 peak 3536 spectrum 1 weight 0.10000E+01 volume 0.43861E-02 ppm1 0.718 ppm2 1.229 CV 1 OR { 3536} ( segid " A" and resid 116 and name HG2%) (( segid " A" and resid 128 and name HG11)) ASSI { 3538} (( segid " A" and resid 123 and name HB2 )) (( segid " A" and resid 123 and name HN )) 3.000 1.100 1.100 peak 3538 spectrum 1 weight 0.10000E+01 volume 0.16637E-02 ppm1 1.929 ppm2 7.775 CV 1 ASSI { 3539} (( segid " A" and resid 123 and name HB2 )) (( segid " A" and resid 123 and name HA )) 3.400 1.400 1.400 peak 3539 spectrum 1 weight 0.10000E+01 volume 0.21090E-02 ppm1 1.931 ppm2 4.404 CV 1 ASSI { 3541} (( segid " A" and resid 123 and name HB2 )) ( segid " A" and resid 123 and name HD1%) 2.700 0.900 0.900 peak 3541 spectrum 1 weight 0.10000E+01 volume 0.52692E-02 ppm1 1.930 ppm2 0.944 CV 1 ASSI { 3542} (( segid " A" and resid 123 and name HB2 )) ( segid " A" and resid 119 and name HG2%) 2.700 0.900 0.900 peak 3542 spectrum 1 weight 0.10000E+01 volume 0.24469E-02 ppm1 1.934 ppm2 0.697 CV 1 ASSI { 3543} (( segid " A" and resid 123 and name HB2 )) ( segid " A" and resid 128 and name HD1%) 3.700 1.700 1.700 peak 3543 spectrum 1 weight 0.10000E+01 volume 0.86724E-03 ppm1 1.927 ppm2 0.473 CV 1 ASSI { 3544} (( segid " A" and resid 123 and name HB1 )) (( segid " A" and resid 123 and name HA )) 2.600 0.800 0.800 peak 3544 spectrum 1 weight 0.10000E+01 volume 0.37727E-02 ppm1 1.378 ppm2 4.399 CV 1 ASSI { 3545} (( segid " A" and resid 123 and name HB1 )) (( segid " A" and resid 124 and name HN )) 4.400 2.400 1.600 peak 3545 spectrum 1 weight 0.10000E+01 volume 0.74073E-03 ppm1 1.377 ppm2 8.279 CV 1 ASSI { 3546} (( segid " A" and resid 123 and name HB1 )) (( segid " A" and resid 123 and name HB2 )) 1.800 0.400 0.400 peak 3546 spectrum 1 weight 0.10000E+01 volume 0.87723E-02 ppm1 1.373 ppm2 1.926 CV 1 ASSI { 3547} (( segid " A" and resid 123 and name HB1 )) ( segid " A" and resid 123 and name HD2%) 2.500 0.800 0.800 peak 3547 spectrum 1 weight 0.10000E+01 volume 0.82263E-02 ppm1 1.372 ppm2 0.942 CV 1 ASSI { 3548} (( segid " A" and resid 123 and name HB1 )) ( segid " A" and resid 119 and name HG2%) 3.900 1.900 1.900 peak 3548 spectrum 1 weight 0.10000E+01 volume 0.27707E-02 ppm1 1.373 ppm2 0.696 CV 1 ASSI { 3549} (( segid " A" and resid 123 and name HB1 )) ( segid " A" and resid 128 and name HD1%) 3.200 1.300 1.300 peak 3549 spectrum 1 weight 0.10000E+01 volume 0.10329E-02 ppm1 1.372 ppm2 0.493 CV 1 ASSI { 3550} (( segid " A" and resid 123 and name HA )) (( segid " A" and resid 124 and name HN )) 3.200 1.200 1.200 peak 3550 spectrum 1 weight 0.10000E+01 volume 0.13683E-02 ppm1 4.395 ppm2 8.283 CV 1 ASSI { 3552} (( segid " A" and resid 125 and name HA )) (( segid " A" and resid 125 and name HN )) 3.200 1.300 1.300 peak 3552 spectrum 1 weight 0.10000E+01 volume 0.19567E-02 ppm1 3.716 ppm2 8.899 CV 1 ASSI { 3553} (( segid " A" and resid 125 and name HA )) (( segid " A" and resid 125 and name HB1 )) 2.700 0.900 0.900 peak 3553 spectrum 1 weight 0.10000E+01 volume 0.83977E-02 ppm1 3.720 ppm2 2.208 CV 1 OR { 3553} (( segid " A" and resid 125 and name HA )) (( segid " A" and resid 125 and name HG1 )) OR { 3553} (( segid " A" and resid 125 and name HA )) (( segid " A" and resid 125 and name HG2 )) ASSI { 3554} (( segid " A" and resid 125 and name HB1 )) (( segid " A" and resid 125 and name HA )) 3.900 1.900 1.900 peak 3554 spectrum 1 weight 0.10000E+01 volume 0.13666E-02 ppm1 2.225 ppm2 3.718 CV 1 ASSI { 3555} (( segid " A" and resid 137 and name HB2 )) (( segid " A" and resid 137 and name HA )) 2.900 1.000 1.000 peak 3555 spectrum 1 weight 0.10000E+01 volume 0.76878E-02 ppm1 2.065 ppm2 4.655 CV 1 ASSI { 3556} (( segid " A" and resid 267 and name HB )) (( segid " A" and resid 268 and name HA )) 3.700 1.700 1.700 peak 3556 spectrum 1 weight 0.10000E+01 volume 0.26100E-02 ppm1 2.061 ppm2 4.210 CV 1 OR { 3556} (( segid " A" and resid 137 and name HB2 )) (( segid " A" and resid 161 and name HA )) ASSI { 3557} (( segid " A" and resid 137 and name HB1 )) (( segid " A" and resid 137 and name HA )) 2.400 0.700 0.700 peak 3557 spectrum 1 weight 0.10000E+01 volume 0.78576E-02 ppm1 2.367 ppm2 4.658 CV 1 ASSI { 3558} (( segid " A" and resid 137 and name HB1 )) (( segid " A" and resid 137 and name HD2 )) 4.300 2.300 1.700 peak 3558 spectrum 1 weight 0.10000E+01 volume 0.14773E-02 ppm1 2.366 ppm2 3.215 CV 1 ASSI { 3559} (( segid " A" and resid 137 and name HB1 )) (( segid " A" and resid 138 and name HN )) 4.300 2.300 1.700 peak 3559 spectrum 1 weight 0.10000E+01 volume 0.18835E-02 ppm1 2.364 ppm2 8.783 CV 1 ASSI { 3560} (( segid " A" and resid 137 and name HG2 )) (( segid " A" and resid 137 and name HA )) 3.800 1.800 1.800 peak 3560 spectrum 1 weight 0.10000E+01 volume 0.32243E-02 ppm1 2.224 ppm2 4.655 CV 1 ASSI { 3562} (( segid " A" and resid 137 and name HG2 )) (( segid " A" and resid 137 and name HD2 )) 2.600 0.800 0.800 peak 3562 spectrum 1 weight 0.10000E+01 volume 0.36687E-02 ppm1 2.229 ppm2 3.216 CV 1 ASSI { 3563} (( segid " A" and resid 137 and name HG2 )) ( segid " A" and resid 162 and name HG2%) 3.700 1.700 1.700 peak 3563 spectrum 1 weight 0.10000E+01 volume 0.22430E-02 ppm1 2.225 ppm2 0.766 CV 1 OR { 3563} (( segid " A" and resid 137 and name HG2 )) ( segid " A" and resid 241 and name HB% ) ASSI { 3564} (( segid " A" and resid 137 and name HG1 )) (( segid " A" and resid 137 and name HA )) 3.600 1.600 1.600 peak 3564 spectrum 1 weight 0.10000E+01 volume 0.23362E-02 ppm1 2.292 ppm2 4.656 CV 1 ASSI { 3565} (( segid " A" and resid 137 and name HG1 )) (( segid " A" and resid 137 and name HD2 )) 3.200 1.300 1.300 peak 3565 spectrum 1 weight 0.10000E+01 volume 0.36121E-02 ppm1 2.292 ppm2 3.214 CV 1 ASSI { 3566} (( segid " A" and resid 137 and name HG1 )) (( segid " A" and resid 137 and name HD1 )) 2.700 0.900 0.900 peak 3566 spectrum 1 weight 0.10000E+01 volume 0.27740E-02 ppm1 2.292 ppm2 3.496 CV 1 ASSI { 3567} (( segid " A" and resid 137 and name HG1 )) ( segid " A" and resid 162 and name HG1%) 4.700 2.800 1.300 peak 3567 spectrum 1 weight 0.10000E+01 volume 0.10212E-02 ppm1 2.296 ppm2 1.061 CV 1 OR { 3567} (( segid " A" and resid 230 and name HB1 )) ( segid " A" and resid 228 and name HG1%) ASSI { 3569} (( segid " A" and resid 137 and name HD2 )) (( segid " A" and resid 137 and name HG2 )) 2.500 0.800 0.800 peak 3569 spectrum 1 weight 0.10000E+01 volume 0.49346E-02 ppm1 3.218 ppm2 2.256 CV 1 ASSI { 3570} (( segid " A" and resid 137 and name HD2 )) (( segid " A" and resid 252 and name HB1 )) 4.200 2.200 1.800 peak 3570 spectrum 1 weight 0.10000E+01 volume 0.93299E-03 ppm1 3.219 ppm2 2.757 CV 1 OR { 3570} (( segid " A" and resid 137 and name HD2 )) (( segid " A" and resid 160 and name HB2 )) ASSI { 3571} (( segid " A" and resid 137 and name HD2 )) (( segid " A" and resid 137 and name HD1 )) 2.000 0.500 0.500 peak 3571 spectrum 1 weight 0.10000E+01 volume 0.81223E-02 ppm1 3.218 ppm2 3.490 CV 1 ASSI { 3572} (( segid " A" and resid 137 and name HD2 )) (( segid " A" and resid 136 and name HA2 )) 2.900 1.100 1.100 peak 3572 spectrum 1 weight 0.10000E+01 volume 0.36687E-02 ppm1 3.217 ppm2 4.103 CV 1 ASSI { 3573} (( segid " A" and resid 137 and name HD2 )) (( segid " A" and resid 136 and name HA1 )) 3.000 1.100 1.100 peak 3573 spectrum 1 weight 0.10000E+01 volume 0.32759E-02 ppm1 3.217 ppm2 3.945 CV 1 ASSI { 3574} (( segid " A" and resid 137 and name HD2 )) (( segid " A" and resid 212 and name HH )) 4.000 2.000 2.000 peak 3574 spectrum 1 weight 0.10000E+01 volume 0.81647E-03 ppm1 3.220 ppm2 9.085 CV 1 ASSI { 3575} (( segid " A" and resid 137 and name HD2 )) ( segid " A" and resid 162 and name HG1%) 4.100 2.100 1.900 peak 3575 spectrum 1 weight 0.10000E+01 volume 0.84810E-03 ppm1 3.220 ppm2 1.052 CV 1 ASSI { 3578} (( segid " A" and resid 137 and name HD2 )) ( segid " A" and resid 165 and name HB% ) 4.300 2.300 1.700 peak 3578 spectrum 1 weight 0.10000E+01 volume 0.19143E-02 ppm1 3.217 ppm2 0.655 CV 1 ASSI { 3580} (( segid " A" and resid 137 and name HD1 )) (( segid " A" and resid 252 and name HB1 )) 3.600 1.700 1.700 peak 3580 spectrum 1 weight 0.10000E+01 volume 0.82313E-03 ppm1 3.501 ppm2 2.746 CV 1 ASSI { 3582} (( segid " A" and resid 145 and name HB2 )) (( segid " A" and resid 145 and name HN )) 3.600 1.600 1.600 peak 3582 spectrum 1 weight 0.10000E+01 volume 0.19592E-02 ppm1 3.013 ppm2 8.261 CV 1 ASSI { 3583} (( segid " A" and resid 145 and name HB2 )) (( segid " A" and resid 145 and name HA )) 3.000 1.100 1.100 peak 3583 spectrum 1 weight 0.10000E+01 volume 0.28514E-02 ppm1 3.014 ppm2 4.608 CV 1 ASSI { 3584} (( segid " A" and resid 145 and name HB1 )) (( segid " A" and resid 145 and name HN )) 3.400 1.400 1.400 peak 3584 spectrum 1 weight 0.10000E+01 volume 0.17328E-02 ppm1 3.073 ppm2 8.262 CV 1 ASSI { 3585} (( segid " A" and resid 145 and name HB1 )) (( segid " A" and resid 145 and name HA )) 3.500 1.500 1.500 peak 3585 spectrum 1 weight 0.10000E+01 volume 0.29455E-02 ppm1 3.068 ppm2 4.616 CV 1 ASSI { 3586} (( segid " A" and resid 146 and name HB2 )) (( segid " A" and resid 146 and name HN )) 3.500 1.600 1.600 peak 3586 spectrum 1 weight 0.10000E+01 volume 0.13200E-02 ppm1 2.310 ppm2 8.274 CV 1 ASSI { 3587} (( segid " A" and resid 146 and name HB2 )) (( segid " A" and resid 146 and name HB1 )) 2.300 0.600 0.600 peak 3587 spectrum 1 weight 0.10000E+01 volume 0.77161E-02 ppm1 2.312 ppm2 3.108 CV 1 ASSI { 3588} (( segid " A" and resid 146 and name HB1 )) (( segid " A" and resid 146 and name HN )) 4.200 2.200 1.800 peak 3588 spectrum 1 weight 0.10000E+01 volume 0.10911E-02 ppm1 3.102 ppm2 8.275 CV 1 ASSI { 3589} (( segid " A" and resid 146 and name HB1 )) (( segid " A" and resid 146 and name HA )) 3.600 1.600 1.600 peak 3589 spectrum 1 weight 0.10000E+01 volume 0.12950E-02 ppm1 3.107 ppm2 4.709 CV 1 ASSI { 3591} (( segid " A" and resid 163 and name HD1 )) (( segid " A" and resid 163 and name HD2 )) 1.900 0.500 0.500 peak 3591 spectrum 1 weight 0.10000E+01 volume 0.89720E-02 ppm1 4.021 ppm2 3.609 CV 1 ASSI { 3592} (( segid " A" and resid 163 and name HD1 )) (( segid " A" and resid 162 and name HB )) 3.600 1.600 1.600 peak 3592 spectrum 1 weight 0.10000E+01 volume 0.57436E-02 ppm1 4.020 ppm2 2.186 CV 1 ASSI { 3593} (( segid " A" and resid 163 and name HD1 )) (( segid " A" and resid 163 and name HG2 )) 2.900 1.100 1.100 peak 3593 spectrum 1 weight 0.10000E+01 volume 0.74697E-02 ppm1 4.019 ppm2 1.875 CV 1 ASSI { 3594} (( segid " A" and resid 163 and name HD1 )) ( segid " A" and resid 162 and name HG1%) 4.300 2.300 1.700 peak 3594 spectrum 1 weight 0.10000E+01 volume 0.32293E-02 ppm1 4.025 ppm2 1.063 CV 1 ASSI { 3595} (( segid " A" and resid 163 and name HD1 )) ( segid " A" and resid 162 and name HG2%) 4.500 2.600 1.500 peak 3595 spectrum 1 weight 0.10000E+01 volume 0.24869E-02 ppm1 4.019 ppm2 0.772 CV 1 ASSI { 3597} (( segid " A" and resid 163 and name HD2 )) (( segid " A" and resid 162 and name HA )) 2.500 0.800 0.800 peak 3597 spectrum 1 weight 0.10000E+01 volume 0.59001E-02 ppm1 3.598 ppm2 4.859 CV 1 ASSI { 3599} (( segid " A" and resid 163 and name HD2 )) (( segid " A" and resid 164 and name HN )) 3.600 1.700 1.700 peak 3599 spectrum 1 weight 0.10000E+01 volume 0.67581E-03 ppm1 3.599 ppm2 9.432 CV 1 ASSI { 3602} (( segid " A" and resid 163 and name HD2 )) ( segid " A" and resid 162 and name HG2%) 4.400 2.500 1.600 peak 3602 spectrum 1 weight 0.10000E+01 volume 0.13683E-02 ppm1 3.591 ppm2 0.775 CV 1 ASSI { 3603} (( segid " A" and resid 163 and name HG2 )) (( segid " A" and resid 164 and name HN )) 3.100 1.200 1.200 peak 3603 spectrum 1 weight 0.10000E+01 volume 0.13450E-02 ppm1 1.883 ppm2 9.439 CV 1 ASSI { 3604} (( segid " A" and resid 163 and name HG1 )) (( segid " A" and resid 164 and name HN )) 4.400 2.400 1.600 peak 3604 spectrum 1 weight 0.10000E+01 volume 0.16163E-02 ppm1 1.999 ppm2 9.444 CV 1 ASSI { 3605} (( segid " A" and resid 163 and name HG1 )) (( segid " A" and resid 163 and name HD2 )) 2.900 1.100 1.100 peak 3605 spectrum 1 weight 0.10000E+01 volume 0.39242E-02 ppm1 2.000 ppm2 3.600 CV 1 ASSI { 3606} (( segid " A" and resid 163 and name HG1 )) ( segid " A" and resid 166 and name HB% ) 4.700 2.800 1.300 peak 3606 spectrum 1 weight 0.10000E+01 volume 0.15622E-02 ppm1 2.000 ppm2 1.460 CV 1 ASSI { 3607} (( segid " A" and resid 163 and name HG1 )) ( segid " A" and resid 287 and name HG2%) 2.800 1.000 1.000 peak 3607 spectrum 1 weight 0.10000E+01 volume 0.47407E-02 ppm1 1.999 ppm2 1.090 CV 1 ASSI { 3608} (( segid " A" and resid 163 and name HG1 )) (( segid " A" and resid 162 and name HA )) 4.700 2.800 1.300 peak 3608 spectrum 1 weight 0.10000E+01 volume 0.19334E-02 ppm1 1.997 ppm2 4.860 CV 1 ASSI { 3609} (( segid " A" and resid 163 and name HG2 )) (( segid " A" and resid 162 and name HA )) 4.200 2.200 1.800 peak 3609 spectrum 1 weight 0.10000E+01 volume 0.36737E-02 ppm1 1.881 ppm2 4.852 CV 1 ASSI { 3610} (( segid " A" and resid 163 and name HG2 )) ( segid " A" and resid 287 and name HG2%) 2.900 1.000 1.000 peak 3610 spectrum 1 weight 0.10000E+01 volume 0.45068E-02 ppm1 1.881 ppm2 1.084 CV 1 ASSI { 3611} (( segid " A" and resid 163 and name HG1 )) ( segid " A" and resid 286 and name HG2%) 3.600 1.700 1.700 peak 3611 spectrum 1 weight 0.10000E+01 volume 0.34415E-02 ppm1 1.999 ppm2 0.558 CV 1 ASSI { 3612} (( segid " A" and resid 163 and name HG2 )) ( segid " A" and resid 286 and name HG2%) 3.100 1.200 1.200 peak 3612 spectrum 1 weight 0.10000E+01 volume 0.26242E-02 ppm1 1.882 ppm2 0.558 CV 1 ASSI { 3613} (( segid " A" and resid 182 and name HB1 )) (( segid " A" and resid 182 and name HA )) 2.800 1.000 1.000 peak 3613 spectrum 1 weight 0.10000E+01 volume 0.45268E-02 ppm1 2.516 ppm2 4.850 CV 1 OR { 3613} (( segid " A" and resid 182 and name HB2 )) (( segid " A" and resid 182 and name HA )) ASSI { 3614} (( segid " A" and resid 182 and name HB2 )) (( segid " A" and resid 182 and name HN )) 3.200 1.300 1.300 peak 3614 spectrum 1 weight 0.10000E+01 volume 0.26641E-02 ppm1 2.511 ppm2 8.346 CV 1 OR { 3614} (( segid " A" and resid 182 and name HB1 )) (( segid " A" and resid 182 and name HN )) ASSI { 3615} (( segid " A" and resid 182 and name HB1 )) (( segid " A" and resid 176 and name HA )) 4.500 2.500 1.500 peak 3615 spectrum 1 weight 0.10000E+01 volume 0.13083E-02 ppm1 2.517 ppm2 4.045 CV 1 OR { 3615} (( segid " A" and resid 182 and name HB2 )) (( segid " A" and resid 176 and name HA )) ASSI { 3616} (( segid " A" and resid 182 and name HB2 )) (( segid " A" and resid 181 and name HG1 )) 4.000 2.000 2.000 peak 3616 spectrum 1 weight 0.10000E+01 volume 0.77486E-03 ppm1 2.518 ppm2 1.547 CV 1 OR { 3616} (( segid " A" and resid 182 and name HB1 )) (( segid " A" and resid 181 and name HG1 )) ASSI { 3618} (( segid " A" and resid 270 and name HA )) (( segid " A" and resid 269 and name HA )) 3.800 1.800 1.800 peak 3618 spectrum 1 weight 0.10000E+01 volume 0.16121E-02 ppm1 4.860 ppm2 4.608 CV 1 OR { 3618} (( segid " A" and resid 182 and name HA )) (( segid " A" and resid 177 and name HA )) ASSI { 3619} (( segid " A" and resid 182 and name HA )) (( segid " A" and resid 183 and name HN )) 2.900 1.000 1.000 peak 3619 spectrum 1 weight 0.10000E+01 volume 0.19525E-02 ppm1 4.857 ppm2 8.342 CV 1 ASSI { 3620} (( segid " A" and resid 184 and name HG1 )) (( segid " A" and resid 184 and name HN )) 3.800 1.800 1.800 peak 3620 spectrum 1 weight 0.10000E+01 volume 0.13849E-02 ppm1 1.449 ppm2 7.972 CV 1 ASSI { 3621} (( segid " A" and resid 184 and name HG1 )) (( segid " A" and resid 185 and name HN )) 4.300 2.300 1.700 peak 3621 spectrum 1 weight 0.10000E+01 volume 0.14423E-02 ppm1 1.451 ppm2 8.598 CV 1 ASSI { 3622} (( segid " A" and resid 184 and name HG1 )) (( segid " A" and resid 184 and name HA )) 3.300 1.400 1.400 peak 3622 spectrum 1 weight 0.10000E+01 volume 0.26442E-02 ppm1 1.449 ppm2 4.950 CV 1 ASSI { 3624} (( segid " A" and resid 184 and name HG2 )) (( segid " A" and resid 184 and name HA )) 3.000 1.100 1.100 peak 3624 spectrum 1 weight 0.10000E+01 volume 0.40183E-02 ppm1 1.358 ppm2 4.950 CV 1 ASSI { 3625} (( segid " A" and resid 278 and name HG2 )) (( segid " A" and resid 278 and name HN )) 4.300 2.400 1.700 peak 3625 spectrum 1 weight 0.10000E+01 volume 0.17278E-02 ppm1 2.372 ppm2 7.223 CV 1 ASSI { 3628} (( segid " A" and resid 161 and name HB2 )) (( segid " A" and resid 161 and name HA )) 3.100 1.200 1.200 peak 3628 spectrum 1 weight 0.10000E+01 volume 0.54897E-02 ppm1 2.229 ppm2 4.208 CV 1 ASSI { 3632} (( segid " A" and resid 266 and name HA )) (( segid " A" and resid 269 and name HB2 )) 3.000 1.100 1.100 peak 3632 spectrum 1 weight 0.10000E+01 volume 0.22730E-02 ppm1 2.331 ppm2 3.482 CV 1 ASSI { 3633} (( segid " A" and resid 281 and name HA )) (( segid " A" and resid 281 and name HD2 )) 3.100 1.200 1.200 peak 3633 spectrum 1 weight 0.10000E+01 volume 0.33941E-02 ppm1 5.246 ppm2 3.141 CV 1 ASSI { 3634} (( segid " A" and resid 163 and name HD1 )) ( segid " A" and resid 108 and name HD2%) 3.500 1.500 1.500 peak 3634 spectrum 1 weight 0.10000E+01 volume 0.34515E-02 ppm1 4.018 ppm2 0.857 CV 1 OR { 3634} (( segid " A" and resid 163 and name HD1 )) ( segid " A" and resid 108 and name HD1%) ASSI { 3635} (( segid " A" and resid 107 and name HA )) (( segid " A" and resid 109 and name HN )) 4.200 2.200 1.800 peak 3635 spectrum 1 weight 0.10000E+01 volume 0.66416E-03 ppm1 3.939 ppm2 7.423 CV 1 ASSI { 3637} (( segid " A" and resid 108 and name HA )) (( segid " A" and resid 111 and name HN )) 2.800 1.000 1.000 peak 3637 spectrum 1 weight 0.10000E+01 volume 0.41523E-02 ppm1 4.008 ppm2 8.195 CV 1 ASSI { 3638} (( segid " A" and resid 108 and name HA )) (( segid " A" and resid 112 and name HN )) 4.000 2.000 2.000 peak 3638 spectrum 1 weight 0.10000E+01 volume 0.10187E-02 ppm1 4.009 ppm2 7.236 CV 1 ASSI { 3639} (( segid " A" and resid 112 and name HB1 )) (( segid " A" and resid 109 and name HA )) 3.700 1.800 1.800 peak 3639 spectrum 1 weight 0.10000E+01 volume 0.30969E-02 ppm1 3.584 ppm2 4.125 CV 1 ASSI { 3641} (( segid " A" and resid 140 and name HB2 )) (( segid " A" and resid 141 and name HN )) 3.700 1.700 1.700 peak 3641 spectrum 1 weight 0.10000E+01 volume 0.20283E-02 ppm1 3.680 ppm2 8.198 CV 1 OR { 3641} (( segid " A" and resid 110 and name HA )) (( segid " A" and resid 111 and name HN )) ASSI { 3642} (( segid " A" and resid 110 and name HA )) (( segid " A" and resid 112 and name HN )) 4.200 2.200 1.800 peak 3642 spectrum 1 weight 0.10000E+01 volume 0.73990E-03 ppm1 3.682 ppm2 7.240 CV 1 ASSI { 3643} (( segid " A" and resid 110 and name HA )) (( segid " A" and resid 113 and name HN )) 3.700 1.700 1.700 peak 3643 spectrum 1 weight 0.10000E+01 volume 0.10778E-02 ppm1 3.680 ppm2 7.426 CV 1 ASSI { 3644} (( segid " A" and resid 123 and name HB2 )) (( segid " A" and resid 124 and name HN )) 5.100 3.200 0.900 peak 3644 spectrum 1 weight 0.10000E+01 volume 0.56013E-03 ppm1 1.922 ppm2 8.282 CV 1 ASSI { 3645} (( segid " A" and resid 125 and name HA )) (( segid " A" and resid 128 and name HN )) 3.400 1.500 1.500 peak 3645 spectrum 1 weight 0.10000E+01 volume 0.19267E-02 ppm1 3.723 ppm2 7.436 CV 1 ASSI { 3646} (( segid " A" and resid 125 and name HA )) (( segid " A" and resid 128 and name HB )) 2.400 0.700 0.700 peak 3646 spectrum 1 weight 0.10000E+01 volume 0.80565E-02 ppm1 3.718 ppm2 2.002 CV 1 ASSI { 3648} (( segid " A" and resid 127 and name HA )) (( segid " A" and resid 129 and name HN )) 4.200 2.200 1.800 peak 3648 spectrum 1 weight 0.10000E+01 volume 0.85892E-03 ppm1 4.005 ppm2 8.877 CV 1 ASSI { 3649} (( segid " A" and resid 127 and name HA )) (( segid " A" and resid 131 and name HN )) 4.000 2.000 2.000 peak 3649 spectrum 1 weight 0.10000E+01 volume 0.10728E-02 ppm1 4.007 ppm2 7.742 CV 1 ASSI { 3650} (( segid " A" and resid 130 and name HB2 )) (( segid " A" and resid 127 and name HA )) 2.100 0.600 0.600 peak 3650 spectrum 1 weight 0.10000E+01 volume 0.28140E-01 ppm1 2.176 ppm2 4.009 CV 1 OR { 3650} (( segid " A" and resid 130 and name HB1 )) (( segid " A" and resid 127 and name HA )) ASSI { 3652} ( segid " A" and resid 131 and name HB% ) (( segid " A" and resid 128 and name HA )) 2.400 0.700 0.700 peak 3652 spectrum 1 weight 0.10000E+01 volume 0.91967E-02 ppm1 1.449 ppm2 3.713 CV 1 ASSI { 3653} (( segid " A" and resid 129 and name HA )) (( segid " A" and resid 132 and name HB1 )) 4.900 3.000 1.100 peak 3653 spectrum 1 weight 0.10000E+01 volume 0.91884E-03 ppm1 3.664 ppm2 2.830 CV 1 ASSI { 3654} (( segid " A" and resid 132 and name HB2 )) (( segid " A" and resid 129 and name HA )) 3.100 1.200 1.200 peak 3654 spectrum 1 weight 0.10000E+01 volume 0.17961E-02 ppm1 3.539 ppm2 3.675 CV 1 ASSI { 3656} (( segid " A" and resid 130 and name HA )) (( segid " A" and resid 131 and name HN )) 3.300 1.300 1.300 peak 3656 spectrum 1 weight 0.10000E+01 volume 0.27174E-02 ppm1 4.037 ppm2 7.742 CV 1 ASSI { 3657} (( segid " A" and resid 130 and name HA )) ( segid " A" and resid 133 and name HB% ) 2.600 0.800 0.800 peak 3657 spectrum 1 weight 0.10000E+01 volume 0.84810E-02 ppm1 4.033 ppm2 1.603 CV 1 ASSI { 3659} (( segid " A" and resid 163 and name HA )) (( segid " A" and resid 165 and name HN )) 3.900 1.900 1.900 peak 3659 spectrum 1 weight 0.10000E+01 volume 0.85808E-03 ppm1 4.140 ppm2 6.357 CV 1 ASSI { 3660} ( segid " A" and resid 166 and name HB% ) (( segid " A" and resid 163 and name HA )) 2.100 0.500 0.500 peak 3660 spectrum 1 weight 0.10000E+01 volume 0.25834E-01 ppm1 1.469 ppm2 4.152 CV 1 ASSI { 3661} (( segid " A" and resid 164 and name HA )) (( segid " A" and resid 167 and name HN )) 3.300 1.300 1.300 peak 3661 spectrum 1 weight 0.10000E+01 volume 0.18885E-02 ppm1 3.314 ppm2 7.372 CV 1 ASSI { 3662} (( segid " A" and resid 164 and name HA )) (( segid " A" and resid 168 and name HN )) 3.700 1.700 1.700 peak 3662 spectrum 1 weight 0.10000E+01 volume 0.94547E-03 ppm1 3.315 ppm2 7.446 CV 1 ASSI { 3663} (( segid " A" and resid 164 and name HB2 )) (( segid " A" and resid 165 and name HN )) 3.200 1.300 1.300 peak 3663 spectrum 1 weight 0.10000E+01 volume 0.11843E-02 ppm1 0.730 ppm2 6.331 CV 1 OR { 3663} (( segid " A" and resid 164 and name HB1 )) (( segid " A" and resid 165 and name HN )) ASSI { 3664} (( segid " A" and resid 166 and name HA )) (( segid " A" and resid 166 and name HN )) 2.900 1.100 1.100 peak 3664 spectrum 1 weight 0.10000E+01 volume 0.41256E-02 ppm1 3.653 ppm2 5.929 CV 1 ASSI { 3665} (( segid " A" and resid 165 and name HA )) (( segid " A" and resid 167 and name HN )) 4.100 2.100 1.900 peak 3665 spectrum 1 weight 0.10000E+01 volume 0.16146E-02 ppm1 3.653 ppm2 7.378 CV 1 ASSI { 3666} (( segid " A" and resid 165 and name HA )) (( segid " A" and resid 169 and name HN )) 3.200 1.300 1.300 peak 3666 spectrum 1 weight 0.10000E+01 volume 0.20624E-02 ppm1 3.654 ppm2 7.733 CV 1 ASSI { 3667} (( segid " A" and resid 165 and name HA )) (( segid " A" and resid 168 and name HB1 )) 2.400 0.700 0.700 peak 3667 spectrum 1 weight 0.10000E+01 volume 0.31435E-02 ppm1 3.654 ppm2 1.538 CV 1 ASSI { 3669} (( segid " A" and resid 166 and name HA )) (( segid " A" and resid 168 and name HN )) 3.700 1.700 1.700 peak 3669 spectrum 1 weight 0.10000E+01 volume 0.16329E-02 ppm1 3.650 ppm2 7.468 CV 1 ASSI { 3670} (( segid " A" and resid 166 and name HA )) (( segid " A" and resid 169 and name HN )) 3.200 1.300 1.300 peak 3670 spectrum 1 weight 0.10000E+01 volume 0.20624E-02 ppm1 3.654 ppm2 7.733 CV 1 ASSI { 3672} (( segid " A" and resid 167 and name HA )) (( segid " A" and resid 170 and name HB2 )) 3.300 1.300 1.300 peak 3672 spectrum 1 weight 0.10000E+01 volume 0.59575E-02 ppm1 3.725 ppm2 1.785 CV 1 ASSI { 3674} (( segid " A" and resid 170 and name HB1 )) (( segid " A" and resid 167 and name HA )) 2.400 0.700 0.700 peak 3674 spectrum 1 weight 0.10000E+01 volume 0.72908E-02 ppm1 1.571 ppm2 3.738 CV 1 ASSI { 3676} (( segid " A" and resid 168 and name HA )) (( segid " A" and resid 171 and name HN )) 3.200 1.300 1.300 peak 3676 spectrum 1 weight 0.10000E+01 volume 0.40466E-02 ppm1 4.028 ppm2 7.596 CV 1 ASSI { 3678} (( segid " A" and resid 168 and name HA )) (( segid " A" and resid 171 and name HB1 )) 3.300 1.400 1.400 peak 3678 spectrum 1 weight 0.10000E+01 volume 0.85892E-02 ppm1 4.029 ppm2 2.172 CV 1 ASSI { 3679} (( segid " A" and resid 171 and name HB2 )) (( segid " A" and resid 168 and name HA )) 2.100 0.500 0.500 peak 3679 spectrum 1 weight 0.10000E+01 volume 0.10420E-01 ppm1 2.052 ppm2 4.042 CV 1 ASSI { 3681} (( segid " A" and resid 169 and name HA )) (( segid " A" and resid 173 and name HN )) 3.400 1.400 1.400 peak 3681 spectrum 1 weight 0.10000E+01 volume 0.16329E-02 ppm1 2.379 ppm2 8.088 CV 1 ASSI { 3682} (( segid " A" and resid 169 and name HA )) (( segid " A" and resid 172 and name HB2 )) 3.200 1.300 1.300 peak 3682 spectrum 1 weight 0.10000E+01 volume 0.18152E-02 ppm1 2.379 ppm2 1.732 CV 1 ASSI { 3683} (( segid " A" and resid 197 and name HA )) (( segid " A" and resid 201 and name HN )) 3.900 1.900 1.900 peak 3683 spectrum 1 weight 0.10000E+01 volume 0.15106E-02 ppm1 3.884 ppm2 8.647 CV 1 ASSI { 3685} (( segid " A" and resid 198 and name HB )) (( segid " A" and resid 198 and name HN )) 2.500 0.800 0.800 peak 3685 spectrum 1 weight 0.10000E+01 volume 0.57502E-02 ppm1 1.994 ppm2 7.970 CV 1 OR { 3685} (( segid " A" and resid 197 and name HB )) (( segid " A" and resid 198 and name HN )) ASSI { 3686} (( segid " A" and resid 198 and name HA )) (( segid " A" and resid 198 and name HN )) 3.000 1.100 1.100 peak 3686 spectrum 1 weight 0.10000E+01 volume 0.27008E-02 ppm1 3.558 ppm2 7.975 CV 1 ASSI { 3687} (( segid " A" and resid 198 and name HA )) (( segid " A" and resid 201 and name HN )) 3.300 1.400 1.400 peak 3687 spectrum 1 weight 0.10000E+01 volume 0.19642E-02 ppm1 3.555 ppm2 8.644 CV 1 ASSI { 3689} (( segid " A" and resid 200 and name HA )) (( segid " A" and resid 204 and name HN )) 4.100 2.100 1.900 peak 3689 spectrum 1 weight 0.10000E+01 volume 0.10212E-02 ppm1 4.134 ppm2 8.485 CV 1 ASSI { 3690} (( segid " A" and resid 200 and name HA )) (( segid " A" and resid 203 and name HB2 )) 2.300 0.700 0.700 peak 3690 spectrum 1 weight 0.10000E+01 volume 0.17678E-01 ppm1 4.133 ppm2 2.185 CV 1 OR { 3690} (( segid " A" and resid 200 and name HA )) (( segid " A" and resid 203 and name HB1 )) ASSI { 3692} (( segid " A" and resid 201 and name HA )) (( segid " A" and resid 204 and name HB2 )) 2.100 0.500 0.500 peak 3692 spectrum 1 weight 0.10000E+01 volume 0.61939E-02 ppm1 3.975 ppm2 2.147 CV 1 ASSI { 3693} (( segid " A" and resid 201 and name HA )) (( segid " A" and resid 204 and name HB1 )) 3.600 1.600 1.600 peak 3693 spectrum 1 weight 0.10000E+01 volume 0.45002E-02 ppm1 3.976 ppm2 2.084 CV 1 ASSI { 3696} (( segid " A" and resid 202 and name HA )) (( segid " A" and resid 203 and name HN )) 3.100 1.200 1.200 peak 3696 spectrum 1 weight 0.10000E+01 volume 0.39950E-02 ppm1 3.937 ppm2 7.821 CV 1 ASSI { 3697} (( segid " A" and resid 202 and name HA )) (( segid " A" and resid 204 and name HN )) 4.100 2.100 1.900 peak 3697 spectrum 1 weight 0.10000E+01 volume 0.89554E-03 ppm1 3.942 ppm2 8.495 CV 1 ASSI { 3698} ( segid " A" and resid 205 and name HB% ) (( segid " A" and resid 202 and name HA )) 2.400 0.700 0.700 peak 3698 spectrum 1 weight 0.10000E+01 volume 0.15947E-01 ppm1 1.146 ppm2 3.933 CV 1 ASSI { 3699} (( segid " A" and resid 203 and name HA )) (( segid " A" and resid 204 and name HN )) 2.700 0.900 0.900 peak 3699 spectrum 1 weight 0.10000E+01 volume 0.53225E-02 ppm1 4.070 ppm2 8.480 CV 1 ASSI { 3700} (( segid " A" and resid 203 and name HA )) (( segid " A" and resid 206 and name HB2 )) 2.700 0.900 0.900 peak 3700 spectrum 1 weight 0.10000E+01 volume 0.12801E-01 ppm1 4.073 ppm2 1.981 CV 1 OR { 3700} (( segid " A" and resid 203 and name HA )) (( segid " A" and resid 206 and name HB1 )) ASSI { 3702} ( segid " A" and resid 207 and name HB% ) (( segid " A" and resid 204 and name HA )) 2.300 0.700 0.700 peak 3702 spectrum 1 weight 0.10000E+01 volume 0.18959E-01 ppm1 1.158 ppm2 4.062 CV 1 ASSI { 3703} (( segid " A" and resid 204 and name HB1 )) (( segid " A" and resid 205 and name HN )) 3.900 1.900 1.900 peak 3703 spectrum 1 weight 0.10000E+01 volume 0.13916E-02 ppm1 2.064 ppm2 8.231 CV 1 ASSI { 3704} (( segid " A" and resid 204 and name HB2 )) (( segid " A" and resid 205 and name HN )) 3.000 1.100 1.100 peak 3704 spectrum 1 weight 0.10000E+01 volume 0.15289E-02 ppm1 2.148 ppm2 8.231 CV 1 ASSI { 3705} (( segid " A" and resid 205 and name HA )) (( segid " A" and resid 208 and name HN )) 4.100 2.100 1.900 peak 3705 spectrum 1 weight 0.10000E+01 volume 0.58093E-03 ppm1 3.859 ppm2 7.701 CV 1 ASSI { 3706} (( segid " A" and resid 222 and name HA )) (( segid " A" and resid 225 and name HB )) 2.600 0.900 0.900 peak 3706 spectrum 1 weight 0.10000E+01 volume 0.47607E-02 ppm1 3.737 ppm2 1.886 CV 1 ASSI { 3707} (( segid " A" and resid 223 and name HA )) (( segid " A" and resid 225 and name HN )) 4.100 2.100 1.900 peak 3707 spectrum 1 weight 0.10000E+01 volume 0.98542E-03 ppm1 4.403 ppm2 7.347 CV 1 ASSI { 3708} (( segid " A" and resid 223 and name HA )) (( segid " A" and resid 226 and name HB1 )) 2.700 0.900 0.900 peak 3708 spectrum 1 weight 0.10000E+01 volume 0.34515E-02 ppm1 4.400 ppm2 1.974 CV 1 ASSI { 3709} (( segid " A" and resid 224 and name HA )) (( segid " A" and resid 228 and name HN )) 4.200 2.200 1.800 peak 3709 spectrum 1 weight 0.10000E+01 volume 0.63004E-03 ppm1 4.395 ppm2 7.201 CV 1 ASSI { 3710} (( segid " A" and resid 227 and name HB1 )) (( segid " A" and resid 224 and name HA )) 2.800 1.000 1.000 peak 3710 spectrum 1 weight 0.10000E+01 volume 0.79899E-02 ppm1 4.017 ppm2 4.402 CV 1 OR { 3710} (( segid " A" and resid 227 and name HB2 )) (( segid " A" and resid 224 and name HA )) ASSI { 3711} (( segid " A" and resid 226 and name HA )) (( segid " A" and resid 228 and name HN )) 4.200 2.200 1.800 peak 3711 spectrum 1 weight 0.10000E+01 volume 0.62005E-03 ppm1 3.695 ppm2 7.180 CV 1 ASSI { 3712} (( segid " A" and resid 226 and name HA )) (( segid " A" and resid 229 and name HB2 )) 2.600 0.800 0.800 peak 3712 spectrum 1 weight 0.10000E+01 volume 0.29879E-02 ppm1 3.696 ppm2 2.844 CV 1 ASSI { 3713} (( segid " A" and resid 229 and name HB1 )) (( segid " A" and resid 226 and name HA )) 4.100 2.100 1.900 peak 3713 spectrum 1 weight 0.10000E+01 volume 0.15622E-02 ppm1 3.531 ppm2 3.700 CV 1 ASSI { 3714} (( segid " A" and resid 227 and name HA )) (( segid " A" and resid 230 and name HN )) 4.000 2.000 2.000 peak 3714 spectrum 1 weight 0.10000E+01 volume 0.75155E-03 ppm1 4.244 ppm2 8.762 CV 1 ASSI { 3716} (( segid " A" and resid 230 and name HB1 )) (( segid " A" and resid 227 and name HA )) 3.000 1.100 1.100 peak 3716 spectrum 1 weight 0.10000E+01 volume 0.22363E-02 ppm1 2.301 ppm2 4.244 CV 1 ASSI { 3717} (( segid " A" and resid 230 and name HB2 )) (( segid " A" and resid 227 and name HA )) 3.100 1.200 1.200 peak 3717 spectrum 1 weight 0.10000E+01 volume 0.41256E-02 ppm1 2.113 ppm2 4.245 CV 1 ASSI { 3719} ( segid " A" and resid 231 and name HB% ) (( segid " A" and resid 228 and name HA )) 2.200 0.600 0.600 peak 3719 spectrum 1 weight 0.10000E+01 volume 0.29463E-01 ppm1 0.805 ppm2 3.908 CV 1 ASSI { 3720} (( segid " A" and resid 262 and name HA )) (( segid " A" and resid 265 and name HN )) 3.700 1.700 1.700 peak 3720 spectrum 1 weight 0.10000E+01 volume 0.13267E-02 ppm1 4.015 ppm2 8.208 CV 1 ASSI { 3722} (( segid " A" and resid 262 and name HA )) (( segid " A" and resid 265 and name HB1 )) 3.700 1.700 1.700 peak 3722 spectrum 1 weight 0.10000E+01 volume 0.45135E-02 ppm1 4.016 ppm2 2.757 CV 1 ASSI { 3723} (( segid " A" and resid 265 and name HB2 )) (( segid " A" and resid 262 and name HA )) 3.300 1.400 1.400 peak 3723 spectrum 1 weight 0.10000E+01 volume 0.13949E-02 ppm1 2.705 ppm2 4.005 CV 1 ASSI { 3724} (( segid " A" and resid 263 and name HA )) (( segid " A" and resid 265 and name HN )) 4.000 2.000 2.000 peak 3724 spectrum 1 weight 0.10000E+01 volume 0.71410E-03 ppm1 3.720 ppm2 8.223 CV 1 ASSI { 3725} (( segid " A" and resid 263 and name HA )) ( segid " A" and resid 266 and name HB% ) 2.700 0.900 0.900 peak 3725 spectrum 1 weight 0.10000E+01 volume 0.54365E-02 ppm1 3.717 ppm2 1.324 CV 1 ASSI { 3726} (( segid " A" and resid 264 and name HA )) (( segid " A" and resid 268 and name HN )) 4.300 2.300 1.700 peak 3726 spectrum 1 weight 0.10000E+01 volume 0.89054E-03 ppm1 3.937 ppm2 7.633 CV 1 ASSI { 3727} (( segid " A" and resid 264 and name HA )) (( segid " A" and resid 267 and name HB )) 2.300 0.700 0.700 peak 3727 spectrum 1 weight 0.10000E+01 volume 0.13050E-01 ppm1 3.934 ppm2 2.065 CV 1 ASSI { 3730} (( segid " A" and resid 268 and name HB2 )) (( segid " A" and resid 265 and name HA )) 2.800 0.900 0.900 peak 3730 spectrum 1 weight 0.10000E+01 volume 0.76404E-02 ppm1 3.941 ppm2 4.237 CV 1 OR { 3730} (( segid " A" and resid 268 and name HB1 )) (( segid " A" and resid 265 and name HA )) ASSI { 3731} (( segid " A" and resid 266 and name HA )) (( segid " A" and resid 268 and name HN )) 3.900 1.900 1.900 peak 3731 spectrum 1 weight 0.10000E+01 volume 0.10079E-02 ppm1 2.331 ppm2 7.663 CV 1 ASSI { 3732} (( segid " A" and resid 266 and name HA )) (( segid " A" and resid 269 and name HN )) 3.100 1.200 1.200 peak 3732 spectrum 1 weight 0.10000E+01 volume 0.24136E-02 ppm1 2.335 ppm2 7.500 CV 1 ASSI { 3733} (( segid " A" and resid 113 and name HB1 )) (( segid " A" and resid 114 and name HN )) 3.300 1.400 1.400 peak 3733 spectrum 1 weight 0.10000E+01 volume 0.16071E-02 ppm1 1.807 ppm2 9.075 CV 1 ASSI { 3734} (( segid " A" and resid 113 and name HB2 )) (( segid " A" and resid 114 and name HN )) 3.900 1.900 1.900 peak 3734 spectrum 1 weight 0.10000E+01 volume 0.23495E-02 ppm1 1.744 ppm2 9.072 CV 1 ASSI { 3735} (( segid " A" and resid 156 and name HA )) (( segid " A" and resid 157 and name HN )) 3.800 1.800 1.800 peak 3735 spectrum 1 weight 0.10000E+01 volume 0.64086E-03 ppm1 4.780 ppm2 8.459 CV 1 ASSI { 3736} (( segid " A" and resid 158 and name HB )) (( segid " A" and resid 159 and name HN )) 4.300 2.300 1.700 peak 3736 spectrum 1 weight 0.10000E+01 volume 0.10711E-02 ppm1 1.430 ppm2 8.686 CV 1 OR { 3736} (( segid " A" and resid 139 and name HB1 )) (( segid " A" and resid 161 and name HN )) ASSI { 3737} (( segid " A" and resid 158 and name HB )) (( segid " A" and resid 159 and name HN )) 4.200 2.200 1.800 peak 3737 spectrum 1 weight 0.10000E+01 volume 0.10778E-02 ppm1 1.433 ppm2 8.677 CV 1 ASSI { 3738} (( segid " A" and resid 182 and name HA )) (( segid " A" and resid 182 and name HN )) 3.200 1.300 1.300 peak 3738 spectrum 1 weight 0.10000E+01 volume 0.18527E-02 ppm1 4.861 ppm2 8.341 CV 1 ASSI { 3739} (( segid " A" and resid 182 and name HB1 )) (( segid " A" and resid 183 and name HN )) 3.800 1.800 1.800 peak 3739 spectrum 1 weight 0.10000E+01 volume 0.26641E-02 ppm1 2.511 ppm2 8.346 CV 1 OR { 3739} (( segid " A" and resid 182 and name HB2 )) (( segid " A" and resid 183 and name HN )) ASSI { 3740} (( segid " A" and resid 157 and name HA )) (( segid " A" and resid 116 and name HN )) 3.300 1.300 1.300 peak 3740 spectrum 1 weight 0.10000E+01 volume 0.14032E-02 ppm1 5.470 ppm2 8.378 CV 1 ASSI { 3741} (( segid " A" and resid 158 and name HA )) (( segid " A" and resid 140 and name HN )) 4.700 2.700 1.300 peak 3741 spectrum 1 weight 0.10000E+01 volume 0.10254E-02 ppm1 4.086 ppm2 7.730 CV 1 ASSI { 3742} (( segid " A" and resid 158 and name HA )) (( segid " A" and resid 142 and name HN )) 3.300 1.400 1.400 peak 3742 spectrum 1 weight 0.10000E+01 volume 0.35172E-02 ppm1 4.090 ppm2 8.906 CV 1 ASSI { 3743} (( segid " A" and resid 235 and name HA )) (( segid " A" and resid 235 and name HN )) 2.500 0.800 0.800 peak 3743 spectrum 1 weight 0.10000E+01 volume 0.65526E-02 ppm1 4.027 ppm2 9.099 CV 1 ASSI { 3744} (( segid " A" and resid 235 and name HA )) (( segid " A" and resid 236 and name HN )) 2.300 0.600 0.600 peak 3744 spectrum 1 weight 0.10000E+01 volume 0.65526E-02 ppm1 4.027 ppm2 9.099 CV 1 ASSI { 3745} (( segid " A" and resid 241 and name HA )) (( segid " A" and resid 241 and name HN )) 2.400 0.800 0.800 peak 3745 spectrum 1 weight 0.10000E+01 volume 0.98459E-02 ppm1 4.149 ppm2 8.463 CV 1 ASSI { 3746} ( segid " A" and resid 241 and name HB% ) (( segid " A" and resid 242 and name HN )) 3.100 1.200 1.200 peak 3746 spectrum 1 weight 0.10000E+01 volume 0.12351E-01 ppm1 0.773 ppm2 8.466 CV 1 ASSI { 3747} (( segid " A" and resid 242 and name HB1 )) (( segid " A" and resid 243 and name HN )) 3.100 1.200 1.200 peak 3747 spectrum 1 weight 0.10000E+01 volume 0.36121E-02 ppm1 1.629 ppm2 8.458 CV 1 ASSI { 3748} (( segid " A" and resid 242 and name HB2 )) (( segid " A" and resid 243 and name HN )) 3.300 1.400 1.400 peak 3748 spectrum 1 weight 0.10000E+01 volume 0.34981E-02 ppm1 1.372 ppm2 8.432 CV 1 ASSI { 3749} (( segid " A" and resid 284 and name HA )) (( segid " A" and resid 212 and name HN )) 4.300 2.300 1.700 peak 3749 spectrum 1 weight 0.10000E+01 volume 0.85559E-03 ppm1 4.444 ppm2 9.151 CV 1 ASSI { 3750} (( segid " A" and resid 282 and name HA )) (( segid " A" and resid 214 and name HN )) 3.500 1.600 1.600 peak 3750 spectrum 1 weight 0.10000E+01 volume 0.30395E-02 ppm1 5.388 ppm2 8.968 CV 1 ASSI { 3751} (( segid " A" and resid 253 and name HA1 )) (( segid " A" and resid 240 and name HA )) 2.000 0.500 0.500 peak 3751 spectrum 1 weight 0.10000E+01 volume 0.11086E-01 ppm1 4.032 ppm2 4.577 CV 1 ASSI { 3753} ( segid " A" and resid 211 and name HD1%) (( segid " A" and resid 267 and name HA )) 3.600 1.700 1.700 peak 3753 spectrum 1 weight 0.10000E+01 volume 0.16005E-02 ppm1 0.753 ppm2 3.434 CV 1 ASSI { 3755} ( segid " A" and resid 255 and name HD1%) ( segid " A" and resid 211 and name HD1%) 2.500 0.800 0.800 peak 3755 spectrum 1 weight 0.10000E+01 volume 0.10420E-01 ppm1 -0.127 ppm2 0.748 CV 1 ASSI { 3756} (( segid " A" and resid 162 and name HB )) (( segid " A" and resid 163 and name HD2 )) 2.400 0.700 0.700 peak 3756 spectrum 1 weight 0.10000E+01 volume 0.51219E-02 ppm1 2.191 ppm2 3.598 CV 1 ASSI { 3757} (( segid " A" and resid 114 and name HB )) (( segid " A" and resid 113 and name HA )) 4.200 2.200 1.800 peak 3757 spectrum 1 weight 0.10000E+01 volume 0.15672E-02 ppm1 2.093 ppm2 5.365 CV 1 OR { 3757} (( segid " A" and resid 114 and name HB )) (( segid " A" and resid 185 and name HA )) ASSI { 3758} (( segid " A" and resid 117 and name HA1 )) ( segid " A" and resid 119 and name HD1%) 5.200 3.400 0.800 peak 3758 spectrum 1 weight 0.10000E+01 volume 0.78900E-03 ppm1 3.532 ppm2 0.263 CV 1 OR { 3758} (( segid " A" and resid 117 and name HA1 )) ( segid " A" and resid 116 and name HG1%) ASSI { 3759} ( segid " A" and resid 165 and name HB% ) (( segid " A" and resid 137 and name HD1 )) 4.800 2.900 1.200 peak 3759 spectrum 1 weight 0.10000E+01 volume 0.24170E-02 ppm1 0.656 ppm2 3.482 CV 1 ASSI { 3760} (( segid " A" and resid 112 and name HB2 )) (( segid " A" and resid 159 and name HG1 )) 4.100 2.100 1.900 peak 3760 spectrum 1 weight 0.10000E+01 volume 0.88888E-03 ppm1 3.065 ppm2 2.016 CV 1 OR { 3760} (( segid " A" and resid 112 and name HB2 )) (( segid " A" and resid 159 and name HG2 )) OR { 3760} (( segid " A" and resid 112 and name HB2 )) (( segid " A" and resid 159 and name HB2 )) ASSI { 3761} (( segid " A" and resid 112 and name HB2 )) (( segid " A" and resid 160 and name HB2 )) 4.700 2.800 1.300 peak 3761 spectrum 1 weight 0.10000E+01 volume 0.69829E-03 ppm1 3.067 ppm2 2.785 CV 1 ASSI { 3762} ( segid " A" and resid 166 and name HB% ) (( segid " A" and resid 112 and name HA )) 2.100 0.600 0.600 peak 3762 spectrum 1 weight 0.10000E+01 volume 0.25834E-01 ppm1 1.468 ppm2 4.161 CV 1 ASSI { 3763} (( segid " A" and resid 197 and name HG12)) (( segid " A" and resid 198 and name HN )) 4.700 2.800 1.300 peak 3763 spectrum 1 weight 0.10000E+01 volume 0.12418E-02 ppm1 1.467 ppm2 7.966 CV 1 ASSI { 3764} (( segid " A" and resid 287 and name HB )) (( segid " A" and resid 201 and name HB1 )) 3.900 1.900 1.900 peak 3764 spectrum 1 weight 0.10000E+01 volume 0.11028E-02 ppm1 4.219 ppm2 1.423 CV 1 ASSI { 3765} (( segid " A" and resid 123 and name HA )) ( segid " A" and resid 123 and name HD2%) 2.700 0.900 0.900 peak 3765 spectrum 1 weight 0.10000E+01 volume 0.39334E-02 ppm1 4.396 ppm2 0.931 CV 1 ASSI { 3766} (( segid " A" and resid 123 and name HB1 )) (( segid " A" and resid 123 and name HN )) 3.900 1.900 1.900 peak 3766 spectrum 1 weight 0.10000E+01 volume 0.18294E-02 ppm1 1.369 ppm2 7.776 CV 1 ASSI { 3767} (( segid " A" and resid 123 and name HB1 )) ( segid " A" and resid 123 and name HD1%) 2.500 0.800 0.800 peak 3767 spectrum 1 weight 0.10000E+01 volume 0.82263E-02 ppm1 1.372 ppm2 0.942 CV 1 ASSI { 3768} (( segid " A" and resid 123 and name HB2 )) ( segid " A" and resid 123 and name HD2%) 3.500 1.500 1.500 peak 3768 spectrum 1 weight 0.10000E+01 volume 0.52692E-02 ppm1 1.930 ppm2 0.944 CV 1 ASSI { 3769} (( segid " A" and resid 123 and name HG )) (( segid " A" and resid 123 and name HN )) 2.600 0.900 0.900 peak 3769 spectrum 1 weight 0.10000E+01 volume 0.26741E-02 ppm1 1.826 ppm2 7.779 CV 1 ASSI { 3770} (( segid " A" and resid 123 and name HG )) (( segid " A" and resid 123 and name HA )) 3.900 1.900 1.900 peak 3770 spectrum 1 weight 0.10000E+01 volume 0.10645E-02 ppm1 1.824 ppm2 4.413 CV 1 ASSI { 3771} (( segid " A" and resid 123 and name HG )) (( segid " A" and resid 120 and name HB1 )) 3.000 1.200 1.200 peak 3771 spectrum 1 weight 0.10000E+01 volume 0.15763E-02 ppm1 1.823 ppm2 2.754 CV 1 ASSI { 3772} (( segid " A" and resid 123 and name HG )) (( segid " A" and resid 123 and name HB1 )) 3.300 1.400 1.400 peak 3772 spectrum 1 weight 0.10000E+01 volume 0.24636E-02 ppm1 1.830 ppm2 1.375 CV 1 ASSI { 3773} (( segid " A" and resid 123 and name HG )) ( segid " A" and resid 123 and name HD1%) 2.300 0.700 0.700 peak 3773 spectrum 1 weight 0.10000E+01 volume 0.10404E-01 ppm1 1.824 ppm2 0.936 CV 1 ASSI { 3774} (( segid " A" and resid 123 and name HG )) ( segid " A" and resid 123 and name HD2%) 2.300 0.700 0.700 peak 3774 spectrum 1 weight 0.10000E+01 volume 0.10404E-01 ppm1 1.824 ppm2 0.936 CV 1 ASSI { 3776} ( segid " A" and resid 123 and name HD2%) (( segid " A" and resid 123 and name HN )) 3.600 1.700 1.700 peak 3776 spectrum 1 weight 0.10000E+01 volume 0.23462E-02 ppm1 0.952 ppm2 7.778 CV 1 ASSI { 3777} ( segid " A" and resid 123 and name HD2%) (( segid " A" and resid 123 and name HA )) 2.900 1.100 1.100 peak 3777 spectrum 1 weight 0.10000E+01 volume 0.25767E-02 ppm1 0.952 ppm2 4.409 CV 1 ASSI { 3778} ( segid " A" and resid 123 and name HD2%) (( segid " A" and resid 127 and name HB )) 3.700 1.700 1.700 peak 3778 spectrum 1 weight 0.10000E+01 volume 0.17611E-02 ppm1 0.952 ppm2 4.169 CV 1 ASSI { 3779} ( segid " A" and resid 123 and name HD2%) (( segid " A" and resid 120 and name HB1 )) 2.500 2.500 3.500 peak 3779 spectrum 1 weight 0.10000E+01 volume 0.37161E-02 ppm1 0.953 ppm2 2.757 CV 1 ASSI { 3781} ( segid " A" and resid 123 and name HD2%) (( segid " A" and resid 123 and name HB1 )) 2.400 0.700 0.700 peak 3781 spectrum 1 weight 0.10000E+01 volume 0.13674E-01 ppm1 0.952 ppm2 1.344 CV 1 OR { 3781} ( segid " A" and resid 123 and name HD2%) ( segid " A" and resid 127 and name HG2%) ASSI { 3782} ( segid " A" and resid 123 and name HD2%) ( segid " A" and resid 128 and name HD1%) 3.700 1.800 1.800 peak 3782 spectrum 1 weight 0.10000E+01 volume 0.37727E-02 ppm1 0.950 ppm2 0.495 CV 1 ASSI { 3783} ( segid " A" and resid 123 and name HD2%) ( segid " A" and resid 119 and name HD1%) 5.400 3.700 0.600 peak 3783 spectrum 1 weight 0.10000E+01 volume 0.12867E-02 ppm1 0.951 ppm2 0.256 CV 1 ASSI { 3784} (( segid " A" and resid 119 and name HA )) ( segid " A" and resid 119 and name HD1%) 4.700 2.800 1.300 peak 3784 spectrum 1 weight 0.10000E+01 volume 0.14307E-02 ppm1 3.859 ppm2 0.255 CV 1 ASSI { 3786} (( segid " A" and resid 119 and name HB )) (( segid " A" and resid 119 and name HA )) 3.800 1.800 1.800 peak 3786 spectrum 1 weight 0.10000E+01 volume 0.93465E-03 ppm1 1.143 ppm2 3.841 CV 1 ASSI { 3787} (( segid " A" and resid 119 and name HB )) ( segid " A" and resid 123 and name HD1%) 5.200 3.400 0.800 peak 3787 spectrum 1 weight 0.10000E+01 volume 0.88638E-03 ppm1 1.131 ppm2 0.950 CV 1 OR { 3787} (( segid " A" and resid 119 and name HB )) ( segid " A" and resid 183 and name HG2%) ASSI { 3789} (( segid " A" and resid 119 and name HB )) (( segid " A" and resid 119 and name HG12)) 4.000 2.000 2.000 peak 3789 spectrum 1 weight 0.10000E+01 volume 0.99458E-03 ppm1 1.140 ppm2 0.419 CV 1 ASSI { 3790} (( segid " A" and resid 119 and name HB )) ( segid " A" and resid 119 and name HD1%) 3.100 1.200 1.200 peak 3790 spectrum 1 weight 0.10000E+01 volume 0.26342E-02 ppm1 1.134 ppm2 0.245 CV 1 ASSI { 3792} (( segid " A" and resid 119 and name HG12)) ( segid " A" and resid 119 and name HG2%) 2.800 1.000 1.000 peak 3792 spectrum 1 weight 0.10000E+01 volume 0.37960E-02 ppm1 0.430 ppm2 0.705 CV 1 ASSI { 3793} (( segid " A" and resid 119 and name HG12)) ( segid " A" and resid 183 and name HG2%) 3.400 1.400 1.400 peak 3793 spectrum 1 weight 0.10000E+01 volume 0.14939E-02 ppm1 0.436 ppm2 0.951 CV 1 OR { 3793} (( segid " A" and resid 119 and name HG12)) ( segid " A" and resid 123 and name HD1%) ASSI { 3794} (( segid " A" and resid 119 and name HG12)) (( segid " A" and resid 119 and name HG11)) 2.200 0.600 0.600 peak 3794 spectrum 1 weight 0.10000E+01 volume 0.32010E-02 ppm1 0.429 ppm2 1.218 CV 1 ASSI { 3795} (( segid " A" and resid 119 and name HG12)) (( segid " A" and resid 119 and name HA )) 3.400 1.400 1.400 peak 3795 spectrum 1 weight 0.10000E+01 volume 0.92134E-03 ppm1 0.425 ppm2 3.852 CV 1 ASSI { 3796} (( segid " A" and resid 119 and name HG11)) (( segid " A" and resid 119 and name HA )) 3.800 1.800 1.800 peak 3796 spectrum 1 weight 0.10000E+01 volume 0.14074E-02 ppm1 1.209 ppm2 3.850 CV 1 ASSI { 3797} (( segid " A" and resid 119 and name HG11)) ( segid " A" and resid 119 and name HG2%) 3.300 1.300 1.300 peak 3797 spectrum 1 weight 0.10000E+01 volume 0.74889E-02 ppm1 1.209 ppm2 0.704 CV 1 ASSI { 3798} ( segid " A" and resid 119 and name HG2%) (( segid " A" and resid 119 and name HN )) 4.700 2.800 1.300 peak 3798 spectrum 1 weight 0.10000E+01 volume 0.11527E-02 ppm1 0.698 ppm2 8.130 CV 1 ASSI { 3799} ( segid " A" and resid 119 and name HG2%) (( segid " A" and resid 123 and name HN )) 3.700 1.700 1.700 peak 3799 spectrum 1 weight 0.10000E+01 volume 0.15222E-02 ppm1 0.695 ppm2 7.775 CV 1 ASSI { 3800} ( segid " A" and resid 119 and name HG2%) (( segid " A" and resid 152 and name HE1 )) 3.600 1.600 1.600 peak 3800 spectrum 1 weight 0.10000E+01 volume 0.12900E-02 ppm1 0.690 ppm2 7.291 CV 1 ASSI { 3801} ( segid " A" and resid 119 and name HG2%) (( segid " A" and resid 155 and name HA )) 5.000 3.100 1.000 peak 3801 spectrum 1 weight 0.10000E+01 volume 0.76404E-03 ppm1 0.694 ppm2 5.516 CV 1 ASSI { 3802} ( segid " A" and resid 119 and name HG2%) (( segid " A" and resid 123 and name HA )) 4.700 2.700 1.300 peak 3802 spectrum 1 weight 0.10000E+01 volume 0.15456E-02 ppm1 0.694 ppm2 4.396 CV 1 ASSI { 3803} ( segid " A" and resid 119 and name HG2%) (( segid " A" and resid 122 and name HA )) 4.100 2.100 1.900 peak 3803 spectrum 1 weight 0.10000E+01 volume 0.16213E-02 ppm1 0.696 ppm2 4.143 CV 1 ASSI { 3804} ( segid " A" and resid 119 and name HG2%) (( segid " A" and resid 119 and name HA )) 2.600 0.900 0.900 peak 3804 spectrum 1 weight 0.10000E+01 volume 0.55971E-02 ppm1 0.695 ppm2 3.856 CV 1 ASSI { 3805} ( segid " A" and resid 119 and name HG2%) (( segid " A" and resid 128 and name HA )) 5.400 3.700 0.600 peak 3805 spectrum 1 weight 0.10000E+01 volume 0.87889E-03 ppm1 0.694 ppm2 3.728 CV 1 ASSI { 3806} ( segid " A" and resid 119 and name HG2%) (( segid " A" and resid 120 and name HB1 )) 3.900 1.900 1.900 peak 3806 spectrum 1 weight 0.10000E+01 volume 0.89803E-03 ppm1 0.693 ppm2 2.767 CV 1 ASSI { 3807} ( segid " A" and resid 119 and name HG2%) (( segid " A" and resid 123 and name HB2 )) 2.500 0.800 0.800 peak 3807 spectrum 1 weight 0.10000E+01 volume 0.42729E-02 ppm1 0.695 ppm2 1.924 CV 1 ASSI { 3808} ( segid " A" and resid 119 and name HG2%) (( segid " A" and resid 116 and name HB )) 4.500 2.500 1.500 peak 3808 spectrum 1 weight 0.10000E+01 volume 0.17328E-02 ppm1 0.694 ppm2 1.545 CV 1 OR { 3808} ( segid " A" and resid 119 and name HG2%) (( segid " A" and resid 122 and name HB1 )) ASSI { 3809} ( segid " A" and resid 119 and name HG2%) (( segid " A" and resid 119 and name HB )) 2.400 0.700 0.700 peak 3809 spectrum 1 weight 0.10000E+01 volume 0.94714E-02 ppm1 0.695 ppm2 1.157 CV 1 ASSI { 3810} ( segid " A" and resid 119 and name HG2%) ( segid " A" and resid 123 and name HD1%) 2.400 0.700 0.700 peak 3810 spectrum 1 weight 0.10000E+01 volume 0.15489E-01 ppm1 0.695 ppm2 0.937 CV 1 OR { 3810} ( segid " A" and resid 119 and name HG2%) ( segid " A" and resid 123 and name HD2%) ASSI { 3812} ( segid " A" and resid 119 and name HG2%) ( segid " A" and resid 119 and name HD1%) 2.200 0.600 0.600 peak 3812 spectrum 1 weight 0.10000E+01 volume 0.12543E-01 ppm1 0.695 ppm2 0.249 CV 1 ASSI { 3813} ( segid " A" and resid 119 and name HG2%) ( segid " A" and resid 158 and name HG2%) 4.900 3.000 1.100 peak 3813 spectrum 1 weight 0.10000E+01 volume 0.10678E-02 ppm1 0.690 ppm2 0.045 CV 1 ASSI { 3814} ( segid " A" and resid 119 and name HD1%) (( segid " A" and resid 119 and name HG12)) 2.300 0.700 0.700 peak 3814 spectrum 1 weight 0.10000E+01 volume 0.97211E-02 ppm1 0.246 ppm2 0.444 CV 1 ASSI { 3816} ( segid " A" and resid 119 and name HD1%) ( segid " A" and resid 156 and name HB% ) 2.400 0.700 0.700 peak 3816 spectrum 1 weight 0.10000E+01 volume 0.83178E-02 ppm1 0.245 ppm2 0.839 CV 1 ASSI { 3817} ( segid " A" and resid 119 and name HD1%) ( segid " A" and resid 123 and name HD1%) 4.000 2.000 2.000 peak 3817 spectrum 1 weight 0.10000E+01 volume 0.35838E-02 ppm1 0.243 ppm2 0.928 CV 1 OR { 3817} ( segid " A" and resid 119 and name HD1%) ( segid " A" and resid 183 and name HG2%) ASSI { 3818} ( segid " A" and resid 119 and name HD1%) (( segid " A" and resid 119 and name HG11)) 2.400 0.700 0.700 peak 3818 spectrum 1 weight 0.10000E+01 volume 0.85725E-02 ppm1 0.246 ppm2 1.212 CV 1 ASSI { 3819} ( segid " A" and resid 119 and name HD1%) (( segid " A" and resid 116 and name HB )) 2.800 1.000 1.000 peak 3819 spectrum 1 weight 0.10000E+01 volume 0.35505E-02 ppm1 0.247 ppm2 1.567 CV 1 ASSI { 3820} ( segid " A" and resid 119 and name HD1%) (( segid " A" and resid 128 and name HB )) 4.600 2.700 1.400 peak 3820 spectrum 1 weight 0.10000E+01 volume 0.98459E-03 ppm1 0.243 ppm2 2.009 CV 1 OR { 3820} ( segid " A" and resid 119 and name HD1%) (( segid " A" and resid 183 and name HB )) ASSI { 3822} ( segid " A" and resid 119 and name HD1%) (( segid " A" and resid 155 and name HB2 )) 4.800 2.900 1.200 peak 3822 spectrum 1 weight 0.10000E+01 volume 0.81980E-03 ppm1 0.245 ppm2 2.778 CV 1 OR { 3822} ( segid " A" and resid 119 and name HD1%) (( segid " A" and resid 120 and name HB1 )) ASSI { 3825} ( segid " A" and resid 119 and name HD1%) (( segid " A" and resid 143 and name HA )) 5.300 3.500 0.700 peak 3825 spectrum 1 weight 0.10000E+01 volume 0.68830E-03 ppm1 0.242 ppm2 4.398 CV 1 OR { 3825} ( segid " A" and resid 119 and name HD1%) (( segid " A" and resid 123 and name HA )) ASSI { 3826} ( segid " A" and resid 119 and name HD1%) (( segid " A" and resid 156 and name HA )) 4.800 2.900 1.200 peak 3826 spectrum 1 weight 0.10000E+01 volume 0.12085E-02 ppm1 0.246 ppm2 4.764 CV 1 ASSI { 3827} ( segid " A" and resid 119 and name HD1%) (( segid " A" and resid 155 and name HA )) 3.500 1.500 1.500 peak 3827 spectrum 1 weight 0.10000E+01 volume 0.21789E-02 ppm1 0.247 ppm2 5.524 CV 1 ASSI { 3828} ( segid " A" and resid 119 and name HD1%) (( segid " A" and resid 119 and name HN )) 4.900 3.000 1.100 peak 3828 spectrum 1 weight 0.10000E+01 volume 0.10495E-02 ppm1 0.244 ppm2 8.116 CV 1 ASSI { 3829} ( segid " A" and resid 119 and name HD1%) (( segid " A" and resid 156 and name HN )) 3.300 1.400 1.400 peak 3829 spectrum 1 weight 0.10000E+01 volume 0.21157E-02 ppm1 0.244 ppm2 9.093 CV 1 ASSI { 3830} (( segid " A" and resid 288 and name HD2 )) (( segid " A" and resid 205 and name HN )) 3.200 3.200 2.800 peak 3830 spectrum 1 weight 0.10000E+01 volume 0.88721E-03 ppm1 3.931 ppm2 8.233 CV 1 ASSI { 3831} (( segid " A" and resid 288 and name HD2 )) (( segid " A" and resid 287 and name HA )) 2.700 0.900 0.900 peak 3831 spectrum 1 weight 0.10000E+01 volume 0.33941E-02 ppm1 3.932 ppm2 4.668 CV 1 ASSI { 3832} (( segid " A" and resid 288 and name HD1 )) (( segid " A" and resid 287 and name HB )) 3.600 1.600 1.600 peak 3832 spectrum 1 weight 0.10000E+01 volume 0.36596E-02 ppm1 3.541 ppm2 4.213 CV 1 ASSI { 3833} (( segid " A" and resid 288 and name HD2 )) (( segid " A" and resid 287 and name HB )) 2.800 1.000 1.000 peak 3833 spectrum 1 weight 0.10000E+01 volume 0.31627E-02 ppm1 3.933 ppm2 4.216 CV 1 ASSI { 3834} (( segid " A" and resid 288 and name HD1 )) (( segid " A" and resid 288 and name HD2 )) 2.100 0.600 0.600 peak 3834 spectrum 1 weight 0.10000E+01 volume 0.47673E-02 ppm1 3.536 ppm2 3.931 CV 1 ASSI { 3837} (( segid " A" and resid 288 and name HD2 )) (( segid " A" and resid 204 and name HB2 )) 3.900 1.900 1.900 peak 3837 spectrum 1 weight 0.10000E+01 volume 0.21756E-02 ppm1 3.934 ppm2 2.144 CV 1 OR { 3837} (( segid " A" and resid 288 and name HD2 )) (( segid " A" and resid 201 and name HB2 )) ASSI { 3838} (( segid " A" and resid 288 and name HD2 )) (( segid " A" and resid 288 and name HB2 )) 4.200 2.200 1.800 peak 3838 spectrum 1 weight 0.10000E+01 volume 0.17187E-02 ppm1 3.935 ppm2 1.864 CV 1 ASSI { 3839} (( segid " A" and resid 288 and name HD2 )) (( segid " A" and resid 288 and name HG2 )) 2.800 1.000 1.000 peak 3839 spectrum 1 weight 0.10000E+01 volume 0.20724E-02 ppm1 3.932 ppm2 1.764 CV 1 ASSI { 3840} (( segid " A" and resid 288 and name HD2 )) (( segid " A" and resid 201 and name HB1 )) 3.300 1.300 1.300 peak 3840 spectrum 1 weight 0.10000E+01 volume 0.11028E-02 ppm1 3.926 ppm2 1.435 CV 1 ASSI { 3842} (( segid " A" and resid 288 and name HD1 )) ( segid " A" and resid 287 and name HG2%) 4.300 2.300 1.700 peak 3842 spectrum 1 weight 0.10000E+01 volume 0.19875E-02 ppm1 3.539 ppm2 1.092 CV 1 ASSI { 3844} (( segid " A" and resid 288 and name HD2 )) ( segid " A" and resid 201 and name HD2%) 2.900 1.000 1.000 peak 3844 spectrum 1 weight 0.10000E+01 volume 0.37112E-02 ppm1 3.930 ppm2 0.807 CV 1 ASSI { 3845} ( segid " A" and resid 211 and name HD1%) (( segid " A" and resid 210 and name HA )) 5.100 3.300 0.900 peak 3845 spectrum 1 weight 0.10000E+01 volume 0.69412E-03 ppm1 0.754 ppm2 5.738 CV 1 ASSI { 3846} (( segid " A" and resid 181 and name HG2 )) (( segid " A" and resid 181 and name HB1 )) 2.300 0.700 0.700 peak 3846 spectrum 1 weight 0.10000E+01 volume 0.12592E-01 ppm1 1.537 ppm2 1.896 CV 1 OR { 3846} (( segid " A" and resid 181 and name HG1 )) (( segid " A" and resid 181 and name HB1 )) ASSI { 3847} (( segid " A" and resid 132 and name HB1 )) ( segid " A" and resid 133 and name HB% ) 5.300 3.500 0.700 peak 3847 spectrum 1 weight 0.10000E+01 volume 0.70578E-03 ppm1 2.847 ppm2 1.600 CV 1 ASSI { 3848} (( segid " A" and resid 229 and name HB2 )) (( segid " A" and resid 235 and name HB )) 4.400 2.500 1.600 peak 3848 spectrum 1 weight 0.10000E+01 volume 0.10761E-02 ppm1 2.819 ppm2 1.626 CV 1 OR { 3848} (( segid " A" and resid 229 and name HB2 )) (( segid " A" and resid 270 and name HG1 )) ASSI { 3850} (( segid " A" and resid 141 and name HG11)) ( segid " A" and resid 158 and name HG1%) 4.000 2.000 2.000 peak 3850 spectrum 1 weight 0.10000E+01 volume 0.22863E-02 ppm1 0.835 ppm2 0.122 CV 1 ASSI { 3851} (( segid " A" and resid 141 and name HG11)) ( segid " A" and resid 141 and name HG2%) 3.300 1.400 1.400 peak 3851 spectrum 1 weight 0.10000E+01 volume 0.61747E-02 ppm1 0.837 ppm2 0.573 CV 1 ASSI { 3852} (( segid " A" and resid 141 and name HG11)) ( segid " A" and resid 141 and name HD1%) 2.200 0.600 0.600 peak 3852 spectrum 1 weight 0.10000E+01 volume 0.97211E-02 ppm1 0.840 ppm2 0.765 CV 1 ASSI { 3853} (( segid " A" and resid 141 and name HG11)) (( segid " A" and resid 141 and name HG12)) 1.800 0.400 0.400 peak 3853 spectrum 1 weight 0.10000E+01 volume 0.10137E-01 ppm1 0.843 ppm2 1.487 CV 1 ASSI { 3854} (( segid " A" and resid 141 and name HG11)) (( segid " A" and resid 158 and name HA )) 4.500 2.600 1.500 peak 3854 spectrum 1 weight 0.10000E+01 volume 0.13483E-02 ppm1 0.836 ppm2 4.087 CV 1 ASSI { 3855} (( segid " A" and resid 141 and name HG11)) (( segid " A" and resid 141 and name HA )) 3.300 1.400 1.400 peak 3855 spectrum 1 weight 0.10000E+01 volume 0.22630E-02 ppm1 0.840 ppm2 4.597 CV 1 ASSI { 3856} (( segid " A" and resid 141 and name HG11)) (( segid " A" and resid 142 and name HN )) 5.100 3.300 0.900 peak 3856 spectrum 1 weight 0.10000E+01 volume 0.10137E-02 ppm1 0.833 ppm2 8.910 CV 1 OR { 3856} (( segid " A" and resid 141 and name HG11)) (( segid " A" and resid 129 and name HN )) ASSI { 3857} (( segid " A" and resid 141 and name HG11)) (( segid " A" and resid 159 and name HN )) 4.600 2.700 1.400 peak 3857 spectrum 1 weight 0.10000E+01 volume 0.69080E-03 ppm1 0.842 ppm2 8.663 CV 1 ASSI { 3858} (( segid " A" and resid 141 and name HG12)) ( segid " A" and resid 158 and name HG2%) 3.100 3.100 2.900 peak 3858 spectrum 1 weight 0.10000E+01 volume 0.21456E-02 ppm1 1.504 ppm2 0.040 CV 1 ASSI { 3861} (( segid " A" and resid 141 and name HG12)) (( segid " A" and resid 159 and name HN )) 3.700 1.700 1.700 peak 3861 spectrum 1 weight 0.10000E+01 volume 0.89470E-03 ppm1 1.493 ppm2 8.667 CV 1 ASSI { 3862} (( segid " A" and resid 242 and name HG1 )) (( segid " A" and resid 249 and name HA )) 3.200 1.300 1.300 peak 3862 spectrum 1 weight 0.10000E+01 volume 0.17919E-02 ppm1 1.586 ppm2 5.366 CV 1 ASSI { 3863} (( segid " A" and resid 242 and name HG2 )) (( segid " A" and resid 249 and name HA )) 3.300 1.300 1.300 peak 3863 spectrum 1 weight 0.10000E+01 volume 0.24336E-02 ppm1 1.328 ppm2 5.370 CV 1 ASSI { 3864} (( segid " A" and resid 242 and name HG1 )) (( segid " A" and resid 242 and name HN )) 3.400 1.500 1.500 peak 3864 spectrum 1 weight 0.10000E+01 volume 0.25801E-02 ppm1 1.593 ppm2 8.453 CV 1 ASSI { 3865} (( segid " A" and resid 242 and name HG2 )) (( segid " A" and resid 242 and name HN )) 3.500 1.500 1.500 peak 3865 spectrum 1 weight 0.10000E+01 volume 0.27540E-02 ppm1 1.328 ppm2 8.454 CV 1 ASSI { 3866} (( segid " A" and resid 242 and name HG1 )) (( segid " A" and resid 250 and name HN )) 4.400 2.400 1.600 peak 3866 spectrum 1 weight 0.10000E+01 volume 0.10345E-02 ppm1 1.588 ppm2 8.623 CV 1 ASSI { 3867} (( segid " A" and resid 242 and name HG2 )) (( segid " A" and resid 242 and name HA )) 3.100 1.200 1.200 peak 3867 spectrum 1 weight 0.10000E+01 volume 0.32434E-02 ppm1 1.329 ppm2 4.717 CV 1 ASSI { 3870} (( segid " A" and resid 275 and name HG )) (( segid " A" and resid 225 and name HA )) 4.400 2.400 1.600 peak 3870 spectrum 1 weight 0.10000E+01 volume 0.10911E-02 ppm1 1.586 ppm2 3.956 CV 1 ASSI { 3871} (( segid " A" and resid 198 and name HG12)) (( segid " A" and resid 107 and name HA )) 4.200 2.200 1.800 peak 3871 spectrum 1 weight 0.10000E+01 volume 0.10429E-02 ppm1 1.616 ppm2 3.926 CV 1 OR { 3871} (( segid " A" and resid 198 and name HG12)) (( segid " A" and resid 111 and name HA )) ASSI { 3872} (( segid " A" and resid 242 and name HG2 )) (( segid " A" and resid 249 and name HB1 )) 3.700 1.700 1.700 peak 3872 spectrum 1 weight 0.10000E+01 volume 0.13200E-02 ppm1 1.332 ppm2 3.286 CV 1 ASSI { 3873} (( segid " A" and resid 242 and name HG2 )) (( segid " A" and resid 242 and name HD1 )) 3.100 1.200 1.200 peak 3873 spectrum 1 weight 0.10000E+01 volume 0.30536E-02 ppm1 1.329 ppm2 2.981 CV 1 ASSI { 3874} (( segid " A" and resid 242 and name HG2 )) (( segid " A" and resid 249 and name HB2 )) 4.100 2.100 1.900 peak 3874 spectrum 1 weight 0.10000E+01 volume 0.13916E-02 ppm1 1.331 ppm2 2.583 CV 1 ASSI { 3875} (( segid " A" and resid 242 and name HG1 )) (( segid " A" and resid 249 and name HB2 )) 4.000 2.000 2.000 peak 3875 spectrum 1 weight 0.10000E+01 volume 0.11344E-02 ppm1 1.586 ppm2 2.577 CV 1 ASSI { 3876} (( segid " A" and resid 242 and name HG1 )) (( segid " A" and resid 243 and name HB2 )) 4.500 2.600 1.500 peak 3876 spectrum 1 weight 0.10000E+01 volume 0.92633E-03 ppm1 1.586 ppm2 2.425 CV 1 ASSI { 3877} (( segid " A" and resid 242 and name HG2 )) (( segid " A" and resid 242 and name HG1 )) 1.600 0.300 0.600 peak 3877 spectrum 1 weight 0.10000E+01 volume 0.27765E-01 ppm1 1.329 ppm2 1.591 CV 1 ASSI { 3879} ( segid " A" and resid 165 and name HB% ) (( segid " A" and resid 136 and name HN )) 3.800 1.800 1.800 peak 3879 spectrum 1 weight 0.10000E+01 volume 0.11843E-02 ppm1 0.655 ppm2 7.728 CV 1 ASSI { 3880} ( segid " A" and resid 158 and name HG1%) (( segid " A" and resid 140 and name HN )) 4.400 2.400 1.600 peak 3880 spectrum 1 weight 0.10000E+01 volume 0.12801E-02 ppm1 0.135 ppm2 7.738 CV 1 OR { 3880} ( segid " A" and resid 158 and name HG1%) (( segid " A" and resid 136 and name HN )) ASSI { 3881} (( segid " A" and resid 162 and name HB )) (( segid " A" and resid 165 and name HN )) 4.100 2.100 1.900 peak 3881 spectrum 1 weight 0.10000E+01 volume 0.17445E-02 ppm1 2.185 ppm2 6.325 CV 1 ASSI { 3882} ( segid " A" and resid 185 and name HG1%) ( segid " A" and resid 116 and name HG1%) 2.500 0.800 0.800 peak 3882 spectrum 1 weight 0.10000E+01 volume 0.12975E-01 ppm1 0.998 ppm2 0.292 CV 1 OR { 3882} ( segid " A" and resid 185 and name HG2%) ( segid " A" and resid 116 and name HG1%) ASSI { 3884} ( segid " A" and resid 266 and name HB% ) (( segid " A" and resid 231 and name HN )) 2.800 2.800 3.200 peak 3884 spectrum 1 weight 0.10000E+01 volume 0.19309E-02 ppm1 1.336 ppm2 7.069 CV 1 ASSI { 3885} ( segid " A" and resid 266 and name HB% ) (( segid " A" and resid 229 and name HZ )) 3.300 1.300 1.300 peak 3885 spectrum 1 weight 0.10000E+01 volume 0.44194E-02 ppm1 1.338 ppm2 6.904 CV 1 ASSI { 3886} ( segid " A" and resid 266 and name HB% ) ( segid " A" and resid 229 and name HE% ) 3.200 1.300 1.300 peak 3886 spectrum 1 weight 0.10000E+01 volume 0.34698E-02 ppm1 1.338 ppm2 6.804 CV 1 ASSI { 3887} ( segid " A" and resid 266 and name HB% ) ( segid " A" and resid 257 and name HE% ) 2.800 1.000 1.000 peak 3887 spectrum 1 weight 0.10000E+01 volume 0.46133E-02 ppm1 1.338 ppm2 6.689 CV 1 ASSI { 3888} ( segid " A" and resid 240 and name HD1%) (( segid " A" and resid 249 and name HD2 )) 3.400 1.500 1.500 peak 3888 spectrum 1 weight 0.10000E+01 volume 0.22097E-02 ppm1 -0.052 ppm2 7.070 CV 1 ASSI { 3889} ( segid " A" and resid 240 and name HD1%) (( segid " A" and resid 225 and name HN )) 4.200 2.200 1.800 peak 3889 spectrum 1 weight 0.10000E+01 volume 0.78651E-03 ppm1 -0.054 ppm2 7.351 CV 1 ASSI { 3890} ( segid " A" and resid 255 and name HD1%) (( segid " A" and resid 254 and name HN )) 2.800 2.800 3.200 peak 3890 spectrum 1 weight 0.10000E+01 volume 0.20516E-02 ppm1 -0.131 ppm2 7.839 CV 1 OR { 3890} ( segid " A" and resid 255 and name HD1%) (( segid " A" and resid 227 and name HN )) ASSI { 3891} ( segid " A" and resid 255 and name HD1%) ( segid " A" and resid 229 and name HD% ) 3.100 1.200 1.200 peak 3891 spectrum 1 weight 0.10000E+01 volume 0.22530E-02 ppm1 -0.129 ppm2 7.784 CV 1 ASSI { 3892} ( segid " A" and resid 255 and name HD1%) (( segid " A" and resid 213 and name HN )) 2.800 2.800 3.200 peak 3892 spectrum 1 weight 0.10000E+01 volume 0.22463E-02 ppm1 -0.129 ppm2 7.688 CV 1 ASSI { 3893} ( segid " A" and resid 235 and name HD1%) ( segid " A" and resid 257 and name HE% ) 3.900 1.900 1.900 peak 3893 spectrum 1 weight 0.10000E+01 volume 0.21123E-02 ppm1 0.699 ppm2 6.678 CV 1 ASSI { 3894} ( segid " A" and resid 235 and name HD1%) (( segid " A" and resid 232 and name HN )) 4.400 2.400 1.600 peak 3894 spectrum 1 weight 0.10000E+01 volume 0.11161E-02 ppm1 0.701 ppm2 6.871 CV 1 OR { 3894} ( segid " A" and resid 235 and name HD1%) (( segid " A" and resid 229 and name HZ )) ASSI { 3895} ( segid " A" and resid 214 and name HB% ) ( segid " A" and resid 212 and name HE% ) 2.700 0.900 0.900 peak 3895 spectrum 1 weight 0.10000E+01 volume 0.35172E-02 ppm1 1.268 ppm2 6.553 CV 1 ASSI { 3896} ( segid " A" and resid 214 and name HB% ) (( segid " A" and resid 165 and name HN )) 2.700 2.700 3.300 peak 3896 spectrum 1 weight 0.10000E+01 volume 0.24602E-02 ppm1 1.267 ppm2 6.311 CV 1 ASSI { 3897} ( segid " A" and resid 213 and name HG1%) (( segid " A" and resid 229 and name HZ )) 2.500 0.800 0.800 peak 3897 spectrum 1 weight 0.10000E+01 volume 0.42996E-02 ppm1 0.384 ppm2 6.906 CV 1 ASSI { 3898} ( segid " A" and resid 213 and name HG1%) ( segid " A" and resid 229 and name HE% ) 2.900 1.100 1.100 peak 3898 spectrum 1 weight 0.10000E+01 volume 0.38152E-02 ppm1 0.384 ppm2 6.812 CV 1 ASSI { 3899} ( segid " A" and resid 168 and name HD2%) ( segid " A" and resid 212 and name HE% ) 2.600 0.900 0.900 peak 3899 spectrum 1 weight 0.10000E+01 volume 0.44802E-02 ppm1 1.025 ppm2 6.553 CV 1 ASSI { 3900} ( segid " A" and resid 168 and name HD2%) (( segid " A" and resid 165 and name HN )) 3.600 1.600 1.600 peak 3900 spectrum 1 weight 0.10000E+01 volume 0.32434E-02 ppm1 1.025 ppm2 6.337 CV 1 ASSI { 3901} ( segid " A" and resid 168 and name HD2%) (( segid " A" and resid 172 and name HE22)) 3.700 1.700 1.700 peak 3901 spectrum 1 weight 0.10000E+01 volume 0.25068E-02 ppm1 1.026 ppm2 6.894 CV 1 ASSI { 3902} ( segid " A" and resid 116 and name HG2%) ( segid " A" and resid 132 and name HE% ) 3.100 1.200 1.200 peak 3902 spectrum 1 weight 0.10000E+01 volume 0.56837E-02 ppm1 0.714 ppm2 6.896 CV 1 OR { 3902} ( segid " A" and resid 272 and name HD2%) (( segid " A" and resid 172 and name HE22)) ASSI { 3903} ( segid " A" and resid 286 and name HG1%) (( segid " A" and resid 167 and name HE21)) 4.600 2.700 1.400 peak 3903 spectrum 1 weight 0.10000E+01 volume 0.64835E-03 ppm1 0.794 ppm2 6.705 CV 1 ASSI { 3904} ( segid " A" and resid 272 and name HD2%) (( segid " A" and resid 271 and name HD22)) 4.000 2.000 2.000 peak 3904 spectrum 1 weight 0.10000E+01 volume 0.17345E-02 ppm1 0.713 ppm2 6.430 CV 1 ASSI { 3905} (( segid " A" and resid 263 and name HA )) ( segid " A" and resid 257 and name HE% ) 3.500 1.600 1.600 peak 3905 spectrum 1 weight 0.10000E+01 volume 0.13649E-02 ppm1 3.719 ppm2 6.669 CV 1 ASSI { 3906} (( segid " A" and resid 235 and name HG12)) ( segid " A" and resid 257 and name HE% ) 3.300 1.300 1.300 peak 3906 spectrum 1 weight 0.10000E+01 volume 0.12584E-02 ppm1 1.958 ppm2 6.658 CV 1 ASSI { 3907} (( segid " A" and resid 137 and name HG1 )) ( segid " A" and resid 252 and name HE% ) 3.200 1.300 1.300 peak 3907 spectrum 1 weight 0.10000E+01 volume 0.29638E-02 ppm1 2.292 ppm2 6.809 CV 1 OR { 3907} (( segid " A" and resid 137 and name HG1 )) ( segid " A" and resid 252 and name HD% ) ASSI { 3908} (( segid " A" and resid 137 and name HG2 )) ( segid " A" and resid 252 and name HE% ) 3.000 1.200 1.200 peak 3908 spectrum 1 weight 0.10000E+01 volume 0.29455E-02 ppm1 2.230 ppm2 6.820 CV 1 OR { 3908} (( segid " A" and resid 137 and name HG2 )) ( segid " A" and resid 252 and name HD% ) ASSI { 3909} ( segid " A" and resid 169 and name HB% ) (( segid " A" and resid 135 and name HN )) 3.100 1.200 1.200 peak 3909 spectrum 1 weight 0.10000E+01 volume 0.11744E-02 ppm1 1.347 ppm2 6.522 CV 1 ASSI { 3910} ( segid " A" and resid 169 and name HB% ) (( segid " A" and resid 165 and name HN )) 2.800 2.800 3.200 peak 3910 spectrum 1 weight 0.10000E+01 volume 0.19359E-02 ppm1 1.350 ppm2 6.326 CV 1 ASSI { 3912} ( segid " A" and resid 169 and name HB% ) ( segid " A" and resid 135 and name HE% ) 3.600 1.600 1.600 peak 3912 spectrum 1 weight 0.10000E+01 volume 0.24061E-02 ppm1 1.349 ppm2 7.382 CV 1 ASSI { 3913} ( segid " A" and resid 169 and name HB% ) (( segid " A" and resid 135 and name HZ )) 4.000 2.000 2.000 peak 3913 spectrum 1 weight 0.10000E+01 volume 0.16213E-02 ppm1 1.348 ppm2 7.155 CV 1 ASSI { 3914} ( segid " A" and resid 162 and name HG2%) ( segid " A" and resid 212 and name HE% ) 2.900 1.000 1.000 peak 3914 spectrum 1 weight 0.10000E+01 volume 0.30112E-02 ppm1 0.762 ppm2 6.558 CV 1 ASSI { 3915} ( segid " A" and resid 165 and name HB% ) ( segid " A" and resid 212 and name HE% ) 3.800 1.800 1.800 peak 3915 spectrum 1 weight 0.10000E+01 volume 0.16687E-02 ppm1 0.654 ppm2 6.568 CV 1 OR { 3915} ( segid " A" and resid 165 and name HB% ) (( segid " A" and resid 135 and name HN )) ASSI { 3916} ( segid " A" and resid 211 and name HG2%) (( segid " A" and resid 263 and name HN )) 4.800 2.900 1.200 peak 3916 spectrum 1 weight 0.10000E+01 volume 0.19450E-02 ppm1 0.967 ppm2 6.923 CV 1 OR { 3916} ( segid " A" and resid 211 and name HG2%) (( segid " A" and resid 229 and name HZ )) ASSI { 3917} ( segid " A" and resid 211 and name HG2%) ( segid " A" and resid 257 and name HE% ) 3.900 1.900 1.900 peak 3917 spectrum 1 weight 0.10000E+01 volume 0.19359E-02 ppm1 0.970 ppm2 6.675 CV 1 ASSI { 3918} ( segid " A" and resid 280 and name HD1%) ( segid " A" and resid 279 and name HD% ) 2.500 2.500 3.500 peak 3918 spectrum 1 weight 0.10000E+01 volume 0.38576E-02 ppm1 1.074 ppm2 6.988 CV 1 OR { 3918} ( segid " A" and resid 280 and name HD1%) (( segid " A" and resid 217 and name HD2 )) ASSI { 3919} ( segid " A" and resid 280 and name HD1%) (( segid " A" and resid 229 and name HZ )) 3.200 1.300 1.300 peak 3919 spectrum 1 weight 0.10000E+01 volume 0.48614E-02 ppm1 1.073 ppm2 6.906 CV 1 OR { 3919} (( segid " A" and resid 211 and name HG11)) (( segid " A" and resid 229 and name HZ )) ASSI { 3920} ( segid " A" and resid 280 and name HD1%) ( segid " A" and resid 229 and name HE% ) 2.700 0.900 0.900 peak 3920 spectrum 1 weight 0.10000E+01 volume 0.45135E-02 ppm1 1.073 ppm2 6.809 CV 1 OR { 3920} (( segid " A" and resid 211 and name HG11)) ( segid " A" and resid 229 and name HE% ) ASSI { 3921} (( segid " A" and resid 225 and name HG11)) (( segid " A" and resid 228 and name HN )) 3.400 3.400 2.600 peak 3921 spectrum 1 weight 0.10000E+01 volume 0.24502E-02 ppm1 1.074 ppm2 7.194 CV 1 OR { 3921} ( segid " A" and resid 280 and name HD1%) (( segid " A" and resid 228 and name HN )) ASSI { 3922} ( segid " A" and resid 280 and name HD1%) ( segid " A" and resid 273 and name HD% ) 3.000 1.200 1.200 peak 3922 spectrum 1 weight 0.10000E+01 volume 0.23529E-02 ppm1 1.072 ppm2 7.126 CV 1 ASSI { 3923} ( segid " A" and resid 213 and name HG2%) (( segid " A" and resid 229 and name HZ )) 3.600 1.700 1.700 peak 3923 spectrum 1 weight 0.10000E+01 volume 0.36404E-02 ppm1 0.443 ppm2 6.906 CV 1 ASSI { 3924} ( segid " A" and resid 213 and name HG2%) ( segid " A" and resid 229 and name HE% ) 3.700 1.700 1.700 peak 3924 spectrum 1 weight 0.10000E+01 volume 0.36546E-02 ppm1 0.442 ppm2 6.807 CV 1 ASSI { 3925} ( segid " A" and resid 255 and name HD1%) (( segid " A" and resid 229 and name HZ )) 3.900 1.900 1.900 peak 3925 spectrum 1 weight 0.10000E+01 volume 0.12185E-02 ppm1 -0.128 ppm2 6.875 CV 1 ASSI { 3926} ( segid " A" and resid 255 and name HD1%) ( segid " A" and resid 229 and name HE% ) 3.600 1.600 1.600 peak 3926 spectrum 1 weight 0.10000E+01 volume 0.15431E-02 ppm1 -0.129 ppm2 6.798 CV 1 ASSI { 3927} (( segid " A" and resid 263 and name HB1 )) ( segid " A" and resid 257 and name HE% ) 4.400 2.500 1.600 peak 3927 spectrum 1 weight 0.10000E+01 volume 0.97044E-03 ppm1 3.845 ppm2 6.646 CV 1 ASSI { 3928} (( segid " A" and resid 263 and name HB2 )) ( segid " A" and resid 257 and name HE% ) 4.000 2.000 2.000 peak 3928 spectrum 1 weight 0.10000E+01 volume 0.10195E-02 ppm1 3.757 ppm2 6.661 CV 1 ASSI { 3929} ( segid " A" and resid 128 and name HG2%) ( segid " A" and resid 132 and name HE% ) 3.100 1.200 1.200 peak 3929 spectrum 1 weight 0.10000E+01 volume 0.22330E-02 ppm1 0.541 ppm2 6.891 CV 1 ASSI { 3930} (( segid " A" and resid 166 and name HA )) ( segid " A" and resid 132 and name HE% ) 4.000 2.000 2.000 peak 3930 spectrum 1 weight 0.10000E+01 volume 0.21090E-02 ppm1 3.657 ppm2 6.891 CV 1 OR { 3930} (( segid " A" and resid 165 and name HA )) (( segid " A" and resid 172 and name HE22)) ASSI { 3932} (( segid " A" and resid 165 and name HA )) ( segid " A" and resid 212 and name HE% ) 3.500 1.500 1.500 peak 3932 spectrum 1 weight 0.10000E+01 volume 0.16288E-02 ppm1 3.653 ppm2 6.557 CV 1 OR { 3932} (( segid " A" and resid 165 and name HA )) (( segid " A" and resid 135 and name HN )) ASSI { 3933} ( segid " A" and resid 270 and name HE% ) (( segid " A" and resid 271 and name HN )) 4.800 2.800 1.200 peak 3933 spectrum 1 weight 0.10000E+01 volume 0.13350E-02 ppm1 0.597 ppm2 7.473 CV 1 OR { 3933} ( segid " A" and resid 270 and name HE% ) (( segid " A" and resid 269 and name HN )) ASSI { 3934} ( segid " A" and resid 270 and name HE% ) (( segid " A" and resid 228 and name HN )) 2.300 2.300 3.700 peak 3934 spectrum 1 weight 0.10000E+01 volume 0.66191E-02 ppm1 0.597 ppm2 7.181 CV 1 ASSI { 3935} ( segid " A" and resid 270 and name HE% ) (( segid " A" and resid 229 and name HZ )) 3.400 1.400 1.400 peak 3935 spectrum 1 weight 0.10000E+01 volume 0.44469E-02 ppm1 0.598 ppm2 6.922 CV 1 ASSI { 3936} ( segid " A" and resid 270 and name HE% ) ( segid " A" and resid 229 and name HE% ) 2.800 1.000 1.000 peak 3936 spectrum 1 weight 0.10000E+01 volume 0.37636E-02 ppm1 0.598 ppm2 6.829 CV 1 ASSI { 3937} ( segid " A" and resid 255 and name HG2%) ( segid " A" and resid 257 and name HE% ) 2.900 1.100 1.100 peak 3937 spectrum 1 weight 0.10000E+01 volume 0.22663E-02 ppm1 0.228 ppm2 6.671 CV 1 ASSI { 3938} (( segid " A" and resid 137 and name HD1 )) ( segid " A" and resid 252 and name HD% ) 3.500 1.500 1.500 peak 3938 spectrum 1 weight 0.10000E+01 volume 0.12934E-02 ppm1 3.496 ppm2 6.797 CV 1 OR { 3938} (( segid " A" and resid 137 and name HD1 )) ( segid " A" and resid 252 and name HE% ) ASSI { 3939} (( segid " A" and resid 137 and name HD2 )) ( segid " A" and resid 252 and name HD% ) 3.500 1.500 1.500 peak 3939 spectrum 1 weight 0.10000E+01 volume 0.17303E-02 ppm1 3.216 ppm2 6.818 CV 1 OR { 3939} (( segid " A" and resid 137 and name HD2 )) ( segid " A" and resid 252 and name HE% ) OR { 3939} (( segid " A" and resid 137 and name HD2 )) (( segid " A" and resid 162 and name HN )) ASSI { 3940} ( segid " A" and resid 114 and name HG1%) ( segid " A" and resid 132 and name HE% ) 2.700 0.900 0.900 peak 3940 spectrum 1 weight 0.10000E+01 volume 0.40990E-02 ppm1 0.899 ppm2 6.899 CV 1 ASSI { 3941} ( segid " A" and resid 211 and name HD1%) ( segid " A" and resid 257 and name HE% ) 2.500 0.800 0.800 peak 3941 spectrum 1 weight 0.10000E+01 volume 0.59192E-02 ppm1 0.754 ppm2 6.686 CV 1 ASSI { 3942} ( segid " A" and resid 211 and name HD1%) (( segid " A" and resid 229 and name HZ )) 3.700 1.700 1.700 peak 3942 spectrum 1 weight 0.10000E+01 volume 0.39758E-02 ppm1 0.754 ppm2 6.901 CV 1 ASSI { 3943} ( segid " A" and resid 183 and name HD1%) ( segid " A" and resid 132 and name HE% ) 3.100 1.200 1.200 peak 3943 spectrum 1 weight 0.10000E+01 volume 0.44735E-02 ppm1 0.871 ppm2 6.903 CV 1 ASSI { 3944} ( segid " A" and resid 185 and name HG1%) ( segid " A" and resid 132 and name HE% ) 2.600 0.800 0.800 peak 3944 spectrum 1 weight 0.10000E+01 volume 0.94797E-02 ppm1 1.007 ppm2 6.903 CV 1 OR { 3944} ( segid " A" and resid 282 and name HG1%) (( segid " A" and resid 229 and name HZ )) ASSI { 3945} ( segid " A" and resid 211 and name HD1%) (( segid " A" and resid 270 and name HN )) 4.200 2.200 1.800 peak 3945 spectrum 1 weight 0.10000E+01 volume 0.21589E-02 ppm1 0.754 ppm2 7.874 CV 1 ASSI { 3946} ( segid " A" and resid 158 and name HG2%) ( segid " A" and resid 132 and name HE% ) 3.700 1.700 1.700 peak 3946 spectrum 1 weight 0.10000E+01 volume 0.10761E-02 ppm1 0.037 ppm2 6.885 CV 1 ASSI { 3947} (( segid " A" and resid 222 and name HB1 )) ( segid " A" and resid 240 and name HD2%) 5.000 3.100 1.000 peak 3947 spectrum 1 weight 0.10000E+01 volume 0.85808E-03 ppm1 2.607 ppm2 0.102 CV 1 OR { 3947} (( segid " A" and resid 222 and name HB2 )) ( segid " A" and resid 240 and name HD2%) ASSI { 3948} ( segid " A" and resid 149 and name HG2%) (( segid " A" and resid 149 and name HB )) 2.200 0.600 0.600 peak 3948 spectrum 1 weight 0.10000E+01 volume 0.24702E-01 ppm1 1.107 ppm2 4.114 CV 1 ASSI { 3949} ( segid " A" and resid 149 and name HG2%) (( segid " A" and resid 149 and name HA )) 2.300 0.700 0.700 peak 3949 spectrum 1 weight 0.10000E+01 volume 0.24702E-01 ppm1 1.107 ppm2 4.114 CV 1 ASSI { 3951} (( segid " A" and resid 113 and name HD1 )) (( segid " A" and resid 113 and name HG1 )) 3.000 1.200 1.200 peak 3951 spectrum 1 weight 0.10000E+01 volume 0.31061E-02 ppm1 2.903 ppm2 1.394 CV 1 ASSI { 3952} (( segid " A" and resid 113 and name HD2 )) (( segid " A" and resid 113 and name HG2 )) 2.600 0.800 0.800 peak 3952 spectrum 1 weight 0.10000E+01 volume 0.73757E-02 ppm1 3.075 ppm2 1.743 CV 1 OR { 3952} (( segid " A" and resid 113 and name HD2 )) (( segid " A" and resid 113 and name HB2 )) ASSI { 3953} (( segid " A" and resid 113 and name HD1 )) (( segid " A" and resid 113 and name HG2 )) 2.600 0.800 0.800 peak 3953 spectrum 1 weight 0.10000E+01 volume 0.61273E-02 ppm1 2.903 ppm2 1.742 CV 1 OR { 3953} (( segid " A" and resid 113 and name HD1 )) (( segid " A" and resid 113 and name HB2 )) ASSI { 3954} (( segid " A" and resid 113 and name HD1 )) (( segid " A" and resid 159 and name HG1 )) 4.500 2.500 1.500 peak 3954 spectrum 1 weight 0.10000E+01 volume 0.85975E-03 ppm1 2.902 ppm2 2.048 CV 1 OR { 3954} (( segid " A" and resid 113 and name HD1 )) (( segid " A" and resid 159 and name HB2 )) OR { 3954} (( segid " A" and resid 113 and name HD1 )) (( segid " A" and resid 159 and name HG2 )) ASSI { 3955} (( segid " A" and resid 113 and name HD2 )) (( segid " A" and resid 159 and name HG1 )) 4.500 2.500 1.500 peak 3955 spectrum 1 weight 0.10000E+01 volume 0.12135E-02 ppm1 3.073 ppm2 2.040 CV 1 OR { 3955} (( segid " A" and resid 113 and name HD2 )) (( segid " A" and resid 159 and name HB2 )) OR { 3955} (( segid " A" and resid 113 and name HD2 )) (( segid " A" and resid 159 and name HG2 )) ASSI { 3956} (( segid " A" and resid 113 and name HD2 )) (( segid " A" and resid 113 and name HD1 )) 1.700 0.300 0.500 peak 3956 spectrum 1 weight 0.10000E+01 volume 0.22946E-01 ppm1 3.076 ppm2 2.901 CV 1 ASSI { 3958} (( segid " A" and resid 113 and name HD1 )) (( segid " A" and resid 110 and name HA )) 3.900 1.900 1.900 peak 3958 spectrum 1 weight 0.10000E+01 volume 0.12318E-02 ppm1 2.905 ppm2 3.674 CV 1 ASSI { 3959} (( segid " A" and resid 113 and name HD2 )) (( segid " A" and resid 110 and name HA )) 3.200 1.300 1.300 peak 3959 spectrum 1 weight 0.10000E+01 volume 0.18885E-02 ppm1 3.078 ppm2 3.680 CV 1 ASSI { 3960} (( segid " A" and resid 120 and name HB2 )) (( segid " A" and resid 120 and name HA )) 3.500 1.500 1.500 peak 3960 spectrum 1 weight 0.10000E+01 volume 0.10087E-02 ppm1 3.141 ppm2 4.442 CV 1 ASSI { 3961} (( segid " A" and resid 120 and name HB1 )) (( segid " A" and resid 120 and name HA )) 3.800 1.800 1.800 peak 3961 spectrum 1 weight 0.10000E+01 volume 0.14815E-02 ppm1 2.754 ppm2 4.439 CV 1 ASSI { 3962} (( segid " A" and resid 120 and name HB1 )) (( segid " A" and resid 120 and name HB2 )) 2.300 0.700 0.700 peak 3962 spectrum 1 weight 0.10000E+01 volume 0.42322E-02 ppm1 2.757 ppm2 3.138 CV 1 ASSI { 3964} (( segid " A" and resid 120 and name HB1 )) (( segid " A" and resid 123 and name HG )) 3.200 1.300 1.300 peak 3964 spectrum 1 weight 0.10000E+01 volume 0.15597E-02 ppm1 2.755 ppm2 1.817 CV 1 OR { 3964} (( segid " A" and resid 120 and name HB1 )) (( segid " A" and resid 122 and name HG1 )) ASSI { 3965} (( segid " A" and resid 120 and name HB2 )) (( segid " A" and resid 123 and name HG )) 5.100 3.300 0.900 peak 3965 spectrum 1 weight 0.10000E+01 volume 0.77402E-03 ppm1 3.148 ppm2 1.811 CV 1 OR { 3965} (( segid " A" and resid 120 and name HB2 )) (( segid " A" and resid 122 and name HG1 )) ASSI { 3966} (( segid " A" and resid 120 and name HB1 )) (( segid " A" and resid 122 and name HB1 )) 4.200 2.200 1.800 peak 3966 spectrum 1 weight 0.10000E+01 volume 0.11677E-02 ppm1 2.755 ppm2 1.538 CV 1 OR { 3966} (( segid " A" and resid 279 and name HB2 )) (( segid " A" and resid 272 and name HB1 )) ASSI { 3967} (( segid " A" and resid 120 and name HB1 )) ( segid " A" and resid 123 and name HD1%) 3.400 1.400 1.400 peak 3967 spectrum 1 weight 0.10000E+01 volume 0.26941E-02 ppm1 2.758 ppm2 0.947 CV 1 OR { 3967} (( segid " A" and resid 120 and name HB1 )) ( segid " A" and resid 123 and name HD2%) ASSI { 3968} (( segid " A" and resid 120 and name HB2 )) ( segid " A" and resid 123 and name HD1%) 4.200 2.200 1.800 peak 3968 spectrum 1 weight 0.10000E+01 volume 0.15056E-02 ppm1 3.149 ppm2 0.948 CV 1 OR { 3968} (( segid " A" and resid 120 and name HB2 )) ( segid " A" and resid 123 and name HD2%) ASSI { 3970} (( segid " A" and resid 122 and name HA )) (( segid " A" and resid 122 and name HB2 )) 2.400 0.700 0.700 peak 3970 spectrum 1 weight 0.10000E+01 volume 0.81605E-02 ppm1 4.141 ppm2 2.162 CV 1 ASSI { 3971} (( segid " A" and resid 122 and name HA )) (( segid " A" and resid 120 and name HB1 )) 5.200 3.300 0.800 peak 3971 spectrum 1 weight 0.10000E+01 volume 0.82563E-03 ppm1 4.142 ppm2 2.761 CV 1 ASSI { 3972} (( segid " A" and resid 122 and name HA )) (( segid " A" and resid 122 and name HG1 )) 2.700 0.900 0.900 peak 3972 spectrum 1 weight 0.10000E+01 volume 0.70636E-02 ppm1 4.140 ppm2 1.834 CV 1 ASSI { 3973} (( segid " A" and resid 122 and name HA )) (( segid " A" and resid 122 and name HB1 )) 3.000 1.100 1.100 peak 3973 spectrum 1 weight 0.10000E+01 volume 0.54232E-02 ppm1 4.138 ppm2 1.566 CV 1 ASSI { 3974} (( segid " A" and resid 122 and name HA )) (( segid " A" and resid 123 and name HN )) 3.400 1.400 1.400 peak 3974 spectrum 1 weight 0.10000E+01 volume 0.31627E-02 ppm1 4.139 ppm2 7.781 CV 1 ASSI { 3975} (( segid " A" and resid 122 and name HA )) (( segid " A" and resid 122 and name HG2 )) 3.300 1.400 1.400 peak 3975 spectrum 1 weight 0.10000E+01 volume 0.40898E-02 ppm1 4.142 ppm2 1.739 CV 1 ASSI { 3978} (( segid " A" and resid 122 and name HB1 )) ( segid " A" and resid 120 and name HE% ) 4.300 2.400 1.700 peak 3978 spectrum 1 weight 0.10000E+01 volume 0.15364E-02 ppm1 1.565 ppm2 6.845 CV 1 ASSI { 3981} (( segid " A" and resid 122 and name HG1 )) (( segid " A" and resid 122 and name HB2 )) 2.700 0.900 0.900 peak 3981 spectrum 1 weight 0.10000E+01 volume 0.44261E-02 ppm1 1.835 ppm2 2.160 CV 1 ASSI { 3982} (( segid " A" and resid 122 and name HG2 )) (( segid " A" and resid 122 and name HB2 )) 3.200 1.300 1.300 peak 3982 spectrum 1 weight 0.10000E+01 volume 0.30020E-02 ppm1 1.737 ppm2 2.158 CV 1 ASSI { 3983} (( segid " A" and resid 122 and name HG2 )) (( segid " A" and resid 122 and name HG1 )) 1.900 0.400 0.400 peak 3983 spectrum 1 weight 0.10000E+01 volume 0.19684E-01 ppm1 1.741 ppm2 1.830 CV 1 ASSI { 3984} (( segid " A" and resid 122 and name HG1 )) (( segid " A" and resid 122 and name HB1 )) 2.900 1.100 1.100 peak 3984 spectrum 1 weight 0.10000E+01 volume 0.53025E-02 ppm1 1.838 ppm2 1.568 CV 1 ASSI { 3985} (( segid " A" and resid 122 and name HG2 )) (( segid " A" and resid 122 and name HB1 )) 2.700 0.900 0.900 peak 3985 spectrum 1 weight 0.10000E+01 volume 0.39525E-02 ppm1 1.741 ppm2 1.572 CV 1 ASSI { 3986} (( segid " A" and resid 125 and name HG1 )) (( segid " A" and resid 125 and name HA )) 2.600 0.800 0.800 peak 3986 spectrum 1 weight 0.10000E+01 volume 0.85559E-02 ppm1 2.228 ppm2 3.718 CV 1 OR { 3986} (( segid " A" and resid 125 and name HG2 )) (( segid " A" and resid 125 and name HA )) ASSI { 3987} (( segid " A" and resid 125 and name HG1 )) ( segid " A" and resid 141 and name HD1%) 2.700 0.900 0.900 peak 3987 spectrum 1 weight 0.10000E+01 volume 0.77444E-02 ppm1 2.228 ppm2 0.746 CV 1 OR { 3987} (( segid " A" and resid 125 and name HG2 )) ( segid " A" and resid 141 and name HD1%) ASSI { 3988} (( segid " A" and resid 125 and name HG1 )) ( segid " A" and resid 141 and name HG2%) 2.600 0.800 0.800 peak 3988 spectrum 1 weight 0.10000E+01 volume 0.86557E-02 ppm1 2.229 ppm2 0.595 CV 1 OR { 3988} (( segid " A" and resid 125 and name HG2 )) ( segid " A" and resid 141 and name HG2%) ASSI { 3989} (( segid " A" and resid 125 and name HG1 )) (( segid " A" and resid 125 and name HN )) 4.400 2.400 1.600 peak 3989 spectrum 1 weight 0.10000E+01 volume 0.22963E-02 ppm1 2.229 ppm2 8.901 CV 1 OR { 3989} (( segid " A" and resid 125 and name HG2 )) (( segid " A" and resid 125 and name HN )) ASSI { 3991} (( segid " A" and resid 143 and name HG2 )) ( segid " A" and resid 143 and name HE% ) 3.600 1.600 1.600 peak 3991 spectrum 1 weight 0.10000E+01 volume 0.34798E-02 ppm1 2.242 ppm2 1.280 CV 1 ASSI { 3992} (( segid " A" and resid 143 and name HG1 )) ( segid " A" and resid 143 and name HE% ) 2.900 1.100 1.100 peak 3992 spectrum 1 weight 0.10000E+01 volume 0.27673E-02 ppm1 2.337 ppm2 1.275 CV 1 ASSI { 3993} (( segid " A" and resid 143 and name HG2 )) (( segid " A" and resid 143 and name HB1 )) 2.700 0.900 0.900 peak 3993 spectrum 1 weight 0.10000E+01 volume 0.65626E-02 ppm1 2.244 ppm2 1.662 CV 1 OR { 3993} (( segid " A" and resid 143 and name HG2 )) (( segid " A" and resid 143 and name HB2 )) ASSI { 3994} (( segid " A" and resid 143 and name HG1 )) (( segid " A" and resid 143 and name HB1 )) 2.800 1.000 1.000 peak 3994 spectrum 1 weight 0.10000E+01 volume 0.53291E-02 ppm1 2.334 ppm2 1.669 CV 1 OR { 3994} (( segid " A" and resid 143 and name HG1 )) (( segid " A" and resid 143 and name HB2 )) ASSI { 3995} (( segid " A" and resid 161 and name HB2 )) (( segid " A" and resid 139 and name HE2 )) 4.500 2.600 1.500 peak 3995 spectrum 1 weight 0.10000E+01 volume 0.81314E-03 ppm1 2.246 ppm2 2.934 CV 1 OR { 3995} (( segid " A" and resid 161 and name HB2 )) (( segid " A" and resid 139 and name HE1 )) OR { 3995} (( segid " A" and resid 143 and name HG2 )) (( segid " A" and resid 152 and name HB2 )) OR { 3995} (( segid " A" and resid 143 and name HG2 )) (( segid " A" and resid 152 and name HB1 )) ASSI { 3996} (( segid " A" and resid 161 and name HB2 )) (( segid " A" and resid 139 and name HE2 )) 5.000 3.100 1.000 peak 3996 spectrum 1 weight 0.10000E+01 volume 0.89554E-03 ppm1 2.229 ppm2 2.943 CV 1 OR { 3996} (( segid " A" and resid 161 and name HB2 )) (( segid " A" and resid 139 and name HE1 )) ASSI { 3997} (( segid " A" and resid 161 and name HB2 )) (( segid " A" and resid 160 and name HB1 )) 4.300 2.300 1.700 peak 3997 spectrum 1 weight 0.10000E+01 volume 0.10961E-02 ppm1 2.243 ppm2 3.115 CV 1 ASSI { 3999} ( segid " A" and resid 143 and name HE% ) ( segid " A" and resid 132 and name HE% ) 4.400 2.400 1.600 peak 3999 spectrum 1 weight 0.10000E+01 volume 0.13716E-02 ppm1 1.276 ppm2 6.872 CV 1 OR { 3999} ( segid " A" and resid 143 and name HE% ) (( segid " A" and resid 152 and name HD2 )) ASSI { 4001} ( segid " A" and resid 143 and name HE% ) (( segid " A" and resid 124 and name HA2 )) 3.100 3.100 2.900 peak 4001 spectrum 1 weight 0.10000E+01 volume 0.10828E-02 ppm1 1.276 ppm2 4.555 CV 1 ASSI { 4002} ( segid " A" and resid 143 and name HE% ) (( segid " A" and resid 143 and name HA )) 4.400 2.400 1.600 peak 4002 spectrum 1 weight 0.10000E+01 volume 0.12010E-02 ppm1 1.276 ppm2 4.400 CV 1 ASSI { 4003} ( segid " A" and resid 143 and name HE% ) (( segid " A" and resid 125 and name HA )) 3.500 1.500 1.500 peak 4003 spectrum 1 weight 0.10000E+01 volume 0.14890E-02 ppm1 1.282 ppm2 3.716 CV 1 ASSI { 4004} ( segid " A" and resid 143 and name HE% ) (( segid " A" and resid 157 and name HB1 )) 4.300 2.300 1.700 peak 4004 spectrum 1 weight 0.10000E+01 volume 0.10395E-02 ppm1 1.277 ppm2 2.937 CV 1 OR { 4004} ( segid " A" and resid 143 and name HE% ) (( segid " A" and resid 152 and name HB2 )) OR { 4004} ( segid " A" and resid 143 and name HE% ) (( segid " A" and resid 152 and name HB1 )) OR { 4004} ( segid " A" and resid 143 and name HE% ) (( segid " A" and resid 155 and name HB1 )) ASSI { 4005} ( segid " A" and resid 143 and name HE% ) (( segid " A" and resid 177 and name HG1 )) 2.600 2.600 3.400 peak 4005 spectrum 1 weight 0.10000E+01 volume 0.28914E-02 ppm1 1.277 ppm2 2.304 CV 1 ASSI { 4007} ( segid " A" and resid 143 and name HE% ) (( segid " A" and resid 128 and name HB )) 4.300 2.300 1.700 peak 4007 spectrum 1 weight 0.10000E+01 volume 0.13050E-02 ppm1 1.273 ppm2 1.999 CV 1 ASSI { 4008} ( segid " A" and resid 143 and name HE% ) (( segid " A" and resid 143 and name HB2 )) 2.800 1.000 1.000 peak 4008 spectrum 1 weight 0.10000E+01 volume 0.46342E-02 ppm1 1.278 ppm2 1.674 CV 1 OR { 4008} ( segid " A" and resid 143 and name HE% ) (( segid " A" and resid 143 and name HB1 )) ASSI { 4009} ( segid " A" and resid 143 and name HE% ) ( segid " A" and resid 128 and name HD1%) 3.400 1.400 1.400 peak 4009 spectrum 1 weight 0.10000E+01 volume 0.39001E-02 ppm1 1.276 ppm2 0.495 CV 1 ASSI { 4010} ( segid " A" and resid 143 and name HE% ) ( segid " A" and resid 119 and name HD1%) 2.900 1.000 1.000 peak 4010 spectrum 1 weight 0.10000E+01 volume 0.27640E-02 ppm1 1.277 ppm2 0.243 CV 1 ASSI { 4011} ( segid " A" and resid 143 and name HE% ) ( segid " A" and resid 156 and name HB% ) 2.800 1.000 1.000 peak 4011 spectrum 1 weight 0.10000E+01 volume 0.39284E-02 ppm1 1.277 ppm2 0.840 CV 1 ASSI { 4012} ( segid " A" and resid 143 and name HE% ) ( segid " A" and resid 119 and name HG2%) 3.200 1.300 1.300 peak 4012 spectrum 1 weight 0.10000E+01 volume 0.32151E-02 ppm1 1.276 ppm2 0.701 CV 1 OR { 4012} ( segid " A" and resid 143 and name HE% ) ( segid " A" and resid 116 and name HG2%) ASSI { 4013} (( segid " A" and resid 144 and name HB1 )) (( segid " A" and resid 144 and name HB2 )) 2.300 0.600 0.600 peak 4013 spectrum 1 weight 0.10000E+01 volume 0.60615E-02 ppm1 3.204 ppm2 3.478 CV 1 ASSI { 4015} (( segid " A" and resid 144 and name HB2 )) (( segid " A" and resid 145 and name HB2 )) 4.600 2.700 1.400 peak 4015 spectrum 1 weight 0.10000E+01 volume 0.10462E-02 ppm1 3.480 ppm2 2.990 CV 1 ASSI { 4016} (( segid " A" and resid 144 and name HB2 )) (( segid " A" and resid 144 and name HA )) 3.200 1.300 1.300 peak 4016 spectrum 1 weight 0.10000E+01 volume 0.27474E-02 ppm1 3.480 ppm2 4.493 CV 1 ASSI { 4017} (( segid " A" and resid 144 and name HB1 )) (( segid " A" and resid 144 and name HA )) 3.400 1.400 1.400 peak 4017 spectrum 1 weight 0.10000E+01 volume 0.16970E-02 ppm1 3.202 ppm2 4.491 CV 1 ASSI { 4018} (( segid " A" and resid 150 and name HA )) (( segid " A" and resid 150 and name HB2 )) 3.300 1.300 1.300 peak 4018 spectrum 1 weight 0.10000E+01 volume 0.35081E-02 ppm1 3.897 ppm2 2.380 CV 1 ASSI { 4019} (( segid " A" and resid 150 and name HA )) (( segid " A" and resid 150 and name HB1 )) 2.600 0.800 0.800 peak 4019 spectrum 1 weight 0.10000E+01 volume 0.54764E-02 ppm1 3.897 ppm2 2.199 CV 1 ASSI { 4020} ( segid " A" and resid 150 and name HE% ) (( segid " A" and resid 145 and name HZ2 )) 2.900 2.900 3.100 peak 4020 spectrum 1 weight 0.10000E+01 volume 0.15647E-02 ppm1 2.025 ppm2 7.440 CV 1 ASSI { 4021} ( segid " A" and resid 150 and name HE% ) (( segid " A" and resid 145 and name HH2 )) 3.400 1.400 1.400 peak 4021 spectrum 1 weight 0.10000E+01 volume 0.67082E-03 ppm1 2.033 ppm2 7.211 CV 1 ASSI { 4022} ( segid " A" and resid 150 and name HE% ) (( segid " A" and resid 149 and name HB )) 2.900 2.900 3.100 peak 4022 spectrum 1 weight 0.10000E+01 volume 0.16637E-02 ppm1 2.024 ppm2 4.131 CV 1 ASSI { 4023} ( segid " A" and resid 150 and name HE% ) (( segid " A" and resid 150 and name HA )) 2.900 2.900 3.100 peak 4023 spectrum 1 weight 0.10000E+01 volume 0.17020E-02 ppm1 2.025 ppm2 3.891 CV 1 ASSI { 4024} (( segid " A" and resid 151 and name HB1 )) (( segid " A" and resid 151 and name HB2 )) 1.900 0.400 0.400 peak 4024 spectrum 1 weight 0.10000E+01 volume 0.12917E-01 ppm1 1.401 ppm2 1.654 CV 1 ASSI { 4025} (( segid " A" and resid 151 and name HB1 )) (( segid " A" and resid 151 and name HG2 )) 2.600 0.800 0.800 peak 4025 spectrum 1 weight 0.10000E+01 volume 0.83178E-02 ppm1 1.401 ppm2 1.215 CV 1 OR { 4025} (( segid " A" and resid 151 and name HB1 )) (( segid " A" and resid 151 and name HG1 )) ASSI { 4026} (( segid " A" and resid 151 and name HB2 )) (( segid " A" and resid 151 and name HG1 )) 2.600 0.900 0.900 peak 4026 spectrum 1 weight 0.10000E+01 volume 0.64960E-02 ppm1 1.656 ppm2 1.214 CV 1 OR { 4026} (( segid " A" and resid 151 and name HB2 )) (( segid " A" and resid 151 and name HG2 )) ASSI { 4028} (( segid " A" and resid 151 and name HB1 )) (( segid " A" and resid 151 and name HE1 )) 4.400 2.400 1.600 peak 4028 spectrum 1 weight 0.10000E+01 volume 0.10861E-02 ppm1 1.401 ppm2 2.760 CV 1 OR { 4028} (( segid " A" and resid 151 and name HB1 )) (( segid " A" and resid 151 and name HE2 )) ASSI { 4029} (( segid " A" and resid 151 and name HB2 )) (( segid " A" and resid 151 and name HE1 )) 4.500 2.600 1.500 peak 4029 spectrum 1 weight 0.10000E+01 volume 0.97044E-03 ppm1 1.647 ppm2 2.765 CV 1 OR { 4029} (( segid " A" and resid 151 and name HB2 )) (( segid " A" and resid 151 and name HE2 )) ASSI { 4030} (( segid " A" and resid 151 and name HB1 )) (( segid " A" and resid 151 and name HA )) 3.000 1.100 1.100 peak 4030 spectrum 1 weight 0.10000E+01 volume 0.22963E-02 ppm1 1.405 ppm2 4.620 CV 1 ASSI { 4031} (( segid " A" and resid 151 and name HB2 )) (( segid " A" and resid 151 and name HA )) 3.500 1.500 1.500 peak 4031 spectrum 1 weight 0.10000E+01 volume 0.23728E-02 ppm1 1.656 ppm2 4.610 CV 1 ASSI { 4032} (( segid " A" and resid 151 and name HG2 )) (( segid " A" and resid 151 and name HE2 )) 3.100 1.200 1.200 peak 4032 spectrum 1 weight 0.10000E+01 volume 0.35555E-02 ppm1 1.222 ppm2 2.749 CV 1 OR { 4032} (( segid " A" and resid 151 and name HG1 )) (( segid " A" and resid 151 and name HE2 )) OR { 4032} (( segid " A" and resid 151 and name HG2 )) (( segid " A" and resid 151 and name HE1 )) OR { 4032} (( segid " A" and resid 151 and name HG1 )) (( segid " A" and resid 151 and name HE1 )) ASSI { 4034} (( segid " A" and resid 151 and name HG1 )) (( segid " A" and resid 149 and name HB )) 3.500 1.600 1.600 peak 4034 spectrum 1 weight 0.10000E+01 volume 0.14107E-02 ppm1 1.228 ppm2 4.127 CV 1 OR { 4034} (( segid " A" and resid 151 and name HG2 )) (( segid " A" and resid 149 and name HB )) ASSI { 4035} (( segid " A" and resid 151 and name HG2 )) (( segid " A" and resid 151 and name HA )) 3.300 1.400 1.400 peak 4035 spectrum 1 weight 0.10000E+01 volume 0.21190E-02 ppm1 1.234 ppm2 4.606 CV 1 OR { 4035} (( segid " A" and resid 151 and name HG1 )) (( segid " A" and resid 151 and name HA )) ASSI { 4036} (( segid " A" and resid 151 and name HD2 )) (( segid " A" and resid 151 and name HE1 )) 2.700 0.900 0.900 peak 4036 spectrum 1 weight 0.10000E+01 volume 0.64019E-02 ppm1 1.306 ppm2 2.748 CV 1 OR { 4036} (( segid " A" and resid 151 and name HD2 )) (( segid " A" and resid 151 and name HE2 )) ASSI { 4038} (( segid " A" and resid 151 and name HD2 )) (( segid " A" and resid 149 and name HB )) 3.800 1.800 1.800 peak 4038 spectrum 1 weight 0.10000E+01 volume 0.16779E-02 ppm1 1.308 ppm2 4.121 CV 1 ASSI { 4039} (( segid " A" and resid 151 and name HD1 )) (( segid " A" and resid 149 and name HB )) 3.800 1.800 1.800 peak 4039 spectrum 1 weight 0.10000E+01 volume 0.16879E-02 ppm1 1.380 ppm2 4.118 CV 1 OR { 4039} (( segid " A" and resid 113 and name HG1 )) (( segid " A" and resid 163 and name HA )) ASSI { 4040} (( segid " A" and resid 151 and name HD1 )) (( segid " A" and resid 151 and name HA )) 4.000 2.000 2.000 peak 4040 spectrum 1 weight 0.10000E+01 volume 0.20399E-02 ppm1 1.386 ppm2 4.617 CV 1 ASSI { 4041} (( segid " A" and resid 151 and name HD2 )) (( segid " A" and resid 151 and name HA )) 4.400 2.400 1.600 peak 4041 spectrum 1 weight 0.10000E+01 volume 0.14257E-02 ppm1 1.305 ppm2 4.615 CV 1 ASSI { 4042} (( segid " A" and resid 151 and name HE2 )) (( segid " A" and resid 151 and name HD1 )) 2.500 0.800 0.800 peak 4042 spectrum 1 weight 0.10000E+01 volume 0.10587E-01 ppm1 2.749 ppm2 1.370 CV 1 OR { 4042} (( segid " A" and resid 151 and name HE1 )) (( segid " A" and resid 151 and name HD1 )) ASSI { 4043} (( segid " A" and resid 151 and name HE2 )) (( segid " A" and resid 151 and name HG2 )) 2.600 0.900 0.900 peak 4043 spectrum 1 weight 0.10000E+01 volume 0.94298E-02 ppm1 2.749 ppm2 1.223 CV 1 OR { 4043} (( segid " A" and resid 151 and name HE2 )) (( segid " A" and resid 151 and name HG1 )) OR { 4043} (( segid " A" and resid 151 and name HE1 )) (( segid " A" and resid 151 and name HG2 )) OR { 4043} (( segid " A" and resid 151 and name HE1 )) (( segid " A" and resid 151 and name HG1 )) ASSI { 4044} (( segid " A" and resid 151 and name HE2 )) (( segid " A" and resid 149 and name HB )) 3.200 1.300 1.300 peak 4044 spectrum 1 weight 0.10000E+01 volume 0.27241E-02 ppm1 2.750 ppm2 4.123 CV 1 OR { 4044} (( segid " A" and resid 151 and name HE1 )) (( segid " A" and resid 149 and name HB )) ASSI { 4045} (( segid " A" and resid 152 and name HB2 )) (( segid " A" and resid 152 and name HA )) 3.300 1.300 1.300 peak 4045 spectrum 1 weight 0.10000E+01 volume 0.23862E-02 ppm1 2.930 ppm2 5.004 CV 1 OR { 4045} (( segid " A" and resid 152 and name HB1 )) (( segid " A" and resid 152 and name HA )) ASSI { 4046} (( segid " A" and resid 152 and name HA )) (( segid " A" and resid 145 and name HA )) 3.400 1.400 1.400 peak 4046 spectrum 1 weight 0.10000E+01 volume 0.19692E-02 ppm1 5.017 ppm2 4.608 CV 1 ASSI { 4048} (( segid " A" and resid 167 and name HG2 )) (( segid " A" and resid 167 and name HA )) 3.200 1.300 1.300 peak 4048 spectrum 1 weight 0.10000E+01 volume 0.28780E-02 ppm1 2.348 ppm2 3.720 CV 1 ASSI { 4049} ( segid " A" and resid 178 and name HD2%) (( segid " A" and resid 178 and name HA )) 2.400 0.700 0.700 peak 4049 spectrum 1 weight 0.10000E+01 volume 0.16687E-01 ppm1 0.817 ppm2 4.645 CV 1 OR { 4049} ( segid " A" and resid 178 and name HD1%) (( segid " A" and resid 178 and name HA )) ASSI { 4050} ( segid " A" and resid 272 and name HD1%) (( segid " A" and resid 172 and name HE22)) 3.500 1.500 1.500 peak 4050 spectrum 1 weight 0.10000E+01 volume 0.31910E-02 ppm1 0.815 ppm2 6.897 CV 1 OR { 4050} ( segid " A" and resid 170 and name HD1%) ( segid " A" and resid 132 and name HE% ) ASSI { 4051} ( segid " A" and resid 272 and name HD1%) ( segid " A" and resid 279 and name HE% ) 3.900 1.900 1.900 peak 4051 spectrum 1 weight 0.10000E+01 volume 0.20790E-02 ppm1 0.815 ppm2 6.771 CV 1 ASSI { 4052} ( segid " A" and resid 170 and name HD2%) (( segid " A" and resid 169 and name HN )) 3.600 1.600 1.600 peak 4052 spectrum 1 weight 0.10000E+01 volume 0.29080E-02 ppm1 0.816 ppm2 7.747 CV 1 OR { 4052} ( segid " A" and resid 272 and name HD1%) (( segid " A" and resid 172 and name HE21)) OR { 4052} ( segid " A" and resid 170 and name HD1%) (( segid " A" and resid 169 and name HN )) OR { 4052} ( segid " A" and resid 272 and name HD1%) (( segid " A" and resid 274 and name HN )) ASSI { 4053} (( segid " A" and resid 181 and name HD2 )) (( segid " A" and resid 181 and name HG1 )) 2.400 0.700 0.700 peak 4053 spectrum 1 weight 0.10000E+01 volume 0.11802E-01 ppm1 3.013 ppm2 1.539 CV 1 OR { 4053} (( segid " A" and resid 181 and name HD2 )) (( segid " A" and resid 181 and name HG2 )) OR { 4053} (( segid " A" and resid 181 and name HD1 )) (( segid " A" and resid 181 and name HG1 )) OR { 4053} (( segid " A" and resid 181 and name HD1 )) (( segid " A" and resid 181 and name HG2 )) ASSI { 4054} (( segid " A" and resid 181 and name HD1 )) (( segid " A" and resid 181 and name HB1 )) 3.400 1.500 1.500 peak 4054 spectrum 1 weight 0.10000E+01 volume 0.33799E-02 ppm1 3.007 ppm2 1.900 CV 1 OR { 4054} (( segid " A" and resid 181 and name HD2 )) (( segid " A" and resid 181 and name HB1 )) ASSI { 4057} (( segid " A" and resid 186 and name HA2 )) ( segid " A" and resid 170 and name HD1%) 3.700 1.700 1.700 peak 4057 spectrum 1 weight 0.10000E+01 volume 0.33283E-02 ppm1 3.927 ppm2 0.796 CV 1 ASSI { 4061} (( segid " A" and resid 190 and name HB2 )) (( segid " A" and resid 190 and name HB1 )) 1.900 0.400 0.400 peak 4061 spectrum 1 weight 0.10000E+01 volume 0.19126E-01 ppm1 2.989 ppm2 2.740 CV 1 ASSI { 4062} (( segid " A" and resid 190 and name HB2 )) (( segid " A" and resid 190 and name HA )) 2.900 1.000 1.000 peak 4062 spectrum 1 weight 0.10000E+01 volume 0.59100E-02 ppm1 2.989 ppm2 4.759 CV 1 ASSI { 4063} (( segid " A" and resid 190 and name HB1 )) (( segid " A" and resid 190 and name HA )) 2.900 1.000 1.000 peak 4063 spectrum 1 weight 0.10000E+01 volume 0.54831E-02 ppm1 2.742 ppm2 4.762 CV 1 ASSI { 4064} (( segid " A" and resid 191 and name HA )) ( segid " A" and resid 191 and name HD1%) 2.200 0.600 0.600 peak 4064 spectrum 1 weight 0.10000E+01 volume 0.18726E-01 ppm1 4.027 ppm2 0.856 CV 1 ASSI { 4066} (( segid " A" and resid 191 and name HB )) (( segid " A" and resid 191 and name HG11)) 3.100 1.200 1.200 peak 4066 spectrum 1 weight 0.10000E+01 volume 0.43196E-02 ppm1 1.886 ppm2 1.244 CV 1 ASSI { 4069} (( segid " A" and resid 191 and name HG11)) ( segid " A" and resid 191 and name HD1%) 2.400 0.700 0.700 peak 4069 spectrum 1 weight 0.10000E+01 volume 0.15922E-01 ppm1 1.245 ppm2 0.878 CV 1 OR { 4069} (( segid " A" and resid 191 and name HG11)) ( segid " A" and resid 191 and name HG2%) ASSI { 4070} (( segid " A" and resid 191 and name HG12)) ( segid " A" and resid 191 and name HD1%) 2.400 0.700 0.700 peak 4070 spectrum 1 weight 0.10000E+01 volume 0.14748E-01 ppm1 1.439 ppm2 0.863 CV 1 OR { 4070} (( segid " A" and resid 191 and name HG12)) ( segid " A" and resid 191 and name HG2%) ASSI { 4071} (( segid " A" and resid 191 and name HG11)) (( segid " A" and resid 191 and name HG12)) 1.600 0.300 0.600 peak 4071 spectrum 1 weight 0.10000E+01 volume 0.32792E-01 ppm1 1.245 ppm2 1.431 CV 1 ASSI { 4072} ( segid " A" and resid 191 and name HG2%) (( segid " A" and resid 191 and name HB )) 2.300 0.700 0.700 peak 4072 spectrum 1 weight 0.10000E+01 volume 0.18027E-01 ppm1 0.905 ppm2 1.874 CV 1 ASSI { 4073} ( segid " A" and resid 191 and name HG2%) (( segid " A" and resid 191 and name HG11)) 2.500 0.800 0.800 peak 4073 spectrum 1 weight 0.10000E+01 volume 0.11236E-01 ppm1 0.905 ppm2 1.245 CV 1 ASSI { 4076} ( segid " A" and resid 191 and name HD1%) (( segid " A" and resid 191 and name HB )) 2.700 0.900 0.900 peak 4076 spectrum 1 weight 0.10000E+01 volume 0.15472E-01 ppm1 0.850 ppm2 1.876 CV 1 ASSI { 4077} ( segid " A" and resid 191 and name HD1%) (( segid " A" and resid 191 and name HG11)) 2.500 0.800 0.800 peak 4077 spectrum 1 weight 0.10000E+01 volume 0.10670E-01 ppm1 0.849 ppm2 1.242 CV 1 ASSI { 4078} ( segid " A" and resid 183 and name HD1%) ( segid " A" and resid 128 and name HD1%) 2.700 2.700 3.300 peak 4078 spectrum 1 weight 0.10000E+01 volume 0.27474E-02 ppm1 0.859 ppm2 0.509 CV 1 ASSI { 4079} (( segid " A" and resid 193 and name HA )) (( segid " A" and resid 193 and name HB1 )) 2.800 1.000 1.000 peak 4079 spectrum 1 weight 0.10000E+01 volume 0.91468E-02 ppm1 4.184 ppm2 2.169 CV 1 ASSI { 4080} (( segid " A" and resid 193 and name HA )) (( segid " A" and resid 193 and name HG1 )) 2.800 1.000 1.000 peak 4080 spectrum 1 weight 0.10000E+01 volume 0.10112E-01 ppm1 4.185 ppm2 2.431 CV 1 OR { 4080} (( segid " A" and resid 193 and name HA )) (( segid " A" and resid 193 and name HG2 )) ASSI { 4082} (( segid " A" and resid 193 and name HA )) (( segid " A" and resid 196 and name HD1 )) 3.800 1.800 1.800 peak 4082 spectrum 1 weight 0.10000E+01 volume 0.11078E-02 ppm1 4.186 ppm2 3.502 CV 1 ASSI { 4084} ( segid " A" and resid 194 and name HB% ) (( segid " A" and resid 194 and name HA )) 2.200 0.600 0.600 peak 4084 spectrum 1 weight 0.10000E+01 volume 0.18959E-01 ppm1 1.437 ppm2 4.508 CV 1 ASSI { 4085} ( segid " A" and resid 194 and name HB% ) (( segid " A" and resid 197 and name HN )) 4.200 2.200 1.800 peak 4085 spectrum 1 weight 0.10000E+01 volume 0.13550E-02 ppm1 1.436 ppm2 7.156 CV 1 ASSI { 4086} ( segid " A" and resid 166 and name HB% ) (( segid " A" and resid 167 and name HG1 )) 3.200 1.300 1.300 peak 4086 spectrum 1 weight 0.10000E+01 volume 0.61464E-02 ppm1 1.448 ppm2 2.161 CV 1 OR { 4086} ( segid " A" and resid 166 and name HB% ) (( segid " A" and resid 163 and name HB2 )) OR { 4086} ( segid " A" and resid 131 and name HB% ) (( segid " A" and resid 130 and name HB2 )) OR { 4086} ( segid " A" and resid 131 and name HB% ) (( segid " A" and resid 130 and name HB1 )) ASSI { 4087} ( segid " A" and resid 194 and name HB% ) (( segid " A" and resid 197 and name HB )) 3.100 1.200 1.200 peak 4087 spectrum 1 weight 0.10000E+01 volume 0.56703E-02 ppm1 1.436 ppm2 1.993 CV 1 OR { 4087} ( segid " A" and resid 194 and name HB% ) (( segid " A" and resid 198 and name HB )) OR { 4087} ( segid " A" and resid 194 and name HB% ) (( segid " A" and resid 196 and name HG2 )) ASSI { 4088} ( segid " A" and resid 194 and name HB% ) (( segid " A" and resid 110 and name HB )) 3.000 1.100 1.100 peak 4088 spectrum 1 weight 0.10000E+01 volume 0.68272E-02 ppm1 1.436 ppm2 1.883 CV 1 ASSI { 4089} ( segid " A" and resid 194 and name HB% ) ( segid " A" and resid 110 and name HD1%) 2.200 0.600 0.600 peak 4089 spectrum 1 weight 0.10000E+01 volume 0.21373E-01 ppm1 1.437 ppm2 0.738 CV 1 ASSI { 4093} (( segid " A" and resid 209 and name HB1 )) (( segid " A" and resid 209 and name HB2 )) 2.100 0.600 0.600 peak 4093 spectrum 1 weight 0.10000E+01 volume 0.65909E-02 ppm1 2.646 ppm2 3.568 CV 1 ASSI { 4094} (( segid " A" and resid 209 and name HB1 )) (( segid " A" and resid 209 and name HA )) 3.000 1.100 1.100 peak 4094 spectrum 1 weight 0.10000E+01 volume 0.25368E-02 ppm1 2.644 ppm2 4.908 CV 1 ASSI { 4095} (( segid " A" and resid 209 and name HB2 )) (( segid " A" and resid 209 and name HA )) 3.800 1.800 1.800 peak 4095 spectrum 1 weight 0.10000E+01 volume 0.16404E-02 ppm1 3.559 ppm2 4.911 CV 1 ASSI { 4096} (( segid " A" and resid 209 and name HB1 )) (( segid " A" and resid 209 and name HD21)) 3.200 1.200 1.200 peak 4096 spectrum 1 weight 0.10000E+01 volume 0.26641E-02 ppm1 2.649 ppm2 6.615 CV 1 ASSI { 4097} (( segid " A" and resid 209 and name HB2 )) (( segid " A" and resid 209 and name HD21)) 2.900 1.000 1.000 peak 4097 spectrum 1 weight 0.10000E+01 volume 0.32434E-02 ppm1 3.564 ppm2 6.614 CV 1 ASSI { 4098} (( segid " A" and resid 209 and name HB1 )) (( segid " A" and resid 257 and name HN )) 3.800 1.800 1.800 peak 4098 spectrum 1 weight 0.10000E+01 volume 0.11028E-02 ppm1 2.647 ppm2 8.842 CV 1 ASSI { 4099} (( segid " A" and resid 234 and name HG2 )) (( segid " A" and resid 234 and name HA )) 3.300 1.400 1.400 peak 4099 spectrum 1 weight 0.10000E+01 volume 0.34606E-02 ppm1 1.477 ppm2 4.300 CV 1 ASSI { 4100} (( segid " A" and resid 234 and name HG2 )) (( segid " A" and resid 235 and name HN )) 4.100 2.100 1.900 peak 4100 spectrum 1 weight 0.10000E+01 volume 0.18435E-02 ppm1 1.477 ppm2 9.114 CV 1 OR { 4100} (( segid " A" and resid 184 and name HG1 )) (( segid " A" and resid 117 and name HN )) OR { 4100} (( segid " A" and resid 183 and name HG11)) (( segid " A" and resid 117 and name HN )) ASSI { 4101} (( segid " A" and resid 234 and name HD2 )) (( segid " A" and resid 234 and name HA )) 2.800 1.000 1.000 peak 4101 spectrum 1 weight 0.10000E+01 volume 0.44469E-02 ppm1 1.597 ppm2 4.302 CV 1 ASSI { 4102} (( segid " A" and resid 248 and name HD2 )) (( segid " A" and resid 248 and name HA )) 3.800 1.800 1.800 peak 4102 spectrum 1 weight 0.10000E+01 volume 0.46133E-02 ppm1 1.595 ppm2 4.429 CV 1 OR { 4102} (( segid " A" and resid 248 and name HD1 )) (( segid " A" and resid 248 and name HA )) ASSI { 4103} (( segid " A" and resid 248 and name HD2 )) (( segid " A" and resid 248 and name HE1 )) 2.100 0.600 0.600 peak 4103 spectrum 1 weight 0.10000E+01 volume 0.26816E-01 ppm1 1.599 ppm2 2.948 CV 1 OR { 4103} (( segid " A" and resid 248 and name HD1 )) (( segid " A" and resid 248 and name HE2 )) OR { 4103} (( segid " A" and resid 248 and name HD1 )) (( segid " A" and resid 248 and name HE1 )) OR { 4103} (( segid " A" and resid 248 and name HD2 )) (( segid " A" and resid 248 and name HE2 )) ASSI { 4104} (( segid " A" and resid 248 and name HD1 )) (( segid " A" and resid 248 and name HN )) 4.100 2.100 1.900 peak 4104 spectrum 1 weight 0.10000E+01 volume 0.25235E-02 ppm1 1.600 ppm2 7.941 CV 1 OR { 4104} (( segid " A" and resid 248 and name HD2 )) (( segid " A" and resid 248 and name HN )) ASSI { 4105} (( segid " A" and resid 236 and name HG1 )) (( segid " A" and resid 236 and name HA )) 2.400 0.700 0.700 peak 4105 spectrum 1 weight 0.10000E+01 volume 0.13425E-01 ppm1 1.358 ppm2 4.309 CV 1 OR { 4105} (( segid " A" and resid 236 and name HG2 )) (( segid " A" and resid 236 and name HA )) ASSI { 4106} (( segid " A" and resid 236 and name HG1 )) (( segid " A" and resid 258 and name HA )) 3.500 1.500 1.500 peak 4106 spectrum 1 weight 0.10000E+01 volume 0.38676E-02 ppm1 1.350 ppm2 4.104 CV 1 OR { 4106} (( segid " A" and resid 236 and name HG2 )) (( segid " A" and resid 258 and name HA )) ASSI { 4107} (( segid " A" and resid 248 and name HG2 )) (( segid " A" and resid 248 and name HA )) 2.900 1.100 1.100 peak 4107 spectrum 1 weight 0.10000E+01 volume 0.10470E-01 ppm1 1.363 ppm2 4.422 CV 1 OR { 4107} (( segid " A" and resid 248 and name HG1 )) (( segid " A" and resid 248 and name HA )) ASSI { 4108} (( segid " A" and resid 236 and name HG2 )) (( segid " A" and resid 237 and name HN )) 3.600 1.600 1.600 peak 4108 spectrum 1 weight 0.10000E+01 volume 0.25601E-02 ppm1 1.348 ppm2 7.446 CV 1 OR { 4108} (( segid " A" and resid 236 and name HG1 )) (( segid " A" and resid 237 and name HN )) ASSI { 4109} (( segid " A" and resid 248 and name HG2 )) (( segid " A" and resid 248 and name HN )) 2.700 0.900 0.900 peak 4109 spectrum 1 weight 0.10000E+01 volume 0.58909E-02 ppm1 1.363 ppm2 7.933 CV 1 OR { 4109} (( segid " A" and resid 248 and name HG1 )) (( segid " A" and resid 248 and name HN )) ASSI { 4110} (( segid " A" and resid 226 and name HG2 )) ( segid " A" and resid 229 and name HD% ) 5.400 3.600 0.600 peak 4110 spectrum 1 weight 0.10000E+01 volume 0.11327E-02 ppm1 1.379 ppm2 7.775 CV 1 ASSI { 4111} (( segid " A" and resid 236 and name HG1 )) (( segid " A" and resid 258 and name HN )) 4.800 2.900 1.200 peak 4111 spectrum 1 weight 0.10000E+01 volume 0.13083E-02 ppm1 1.352 ppm2 8.278 CV 1 OR { 4111} (( segid " A" and resid 236 and name HG2 )) (( segid " A" and resid 258 and name HN )) ASSI { 4112} (( segid " A" and resid 236 and name HG1 )) (( segid " A" and resid 236 and name HN )) 3.400 1.500 1.500 peak 4112 spectrum 1 weight 0.10000E+01 volume 0.47074E-02 ppm1 1.352 ppm2 9.099 CV 1 OR { 4112} (( segid " A" and resid 236 and name HG2 )) (( segid " A" and resid 236 and name HN )) OR { 4112} (( segid " A" and resid 184 and name HG2 )) (( segid " A" and resid 117 and name HN )) ASSI { 4113} (( segid " A" and resid 236 and name HG2 )) ( segid " A" and resid 235 and name HG2%) 4.500 2.600 1.500 peak 4113 spectrum 1 weight 0.10000E+01 volume 0.17062E-02 ppm1 1.351 ppm2 0.578 CV 1 OR { 4113} (( segid " A" and resid 236 and name HG1 )) ( segid " A" and resid 235 and name HG2%) ASSI { 4114} (( segid " A" and resid 236 and name HG2 )) ( segid " A" and resid 255 and name HG2%) 4.900 3.000 1.100 peak 4114 spectrum 1 weight 0.10000E+01 volume 0.95213E-03 ppm1 1.351 ppm2 0.200 CV 1 OR { 4114} (( segid " A" and resid 236 and name HG1 )) ( segid " A" and resid 255 and name HG2%) OR { 4114} (( segid " A" and resid 236 and name HG1 )) (( segid " A" and resid 235 and name HG11)) ASSI { 4115} (( segid " A" and resid 238 and name HB1 )) (( segid " A" and resid 239 and name HN )) 4.400 2.400 1.600 peak 4115 spectrum 1 weight 0.10000E+01 volume 0.11461E-02 ppm1 2.352 ppm2 8.160 CV 1 ASSI { 4116} (( segid " A" and resid 238 and name HB2 )) (( segid " A" and resid 239 and name HN )) 4.700 2.700 1.300 peak 4116 spectrum 1 weight 0.10000E+01 volume 0.83312E-03 ppm1 2.839 ppm2 8.151 CV 1 ASSI { 4117} (( segid " A" and resid 238 and name HB1 )) (( segid " A" and resid 238 and name HA )) 3.000 1.200 1.200 peak 4117 spectrum 1 weight 0.10000E+01 volume 0.26475E-02 ppm1 2.347 ppm2 4.758 CV 1 ASSI { 4118} (( segid " A" and resid 238 and name HB2 )) (( segid " A" and resid 238 and name HA )) 2.700 0.900 0.900 peak 4118 spectrum 1 weight 0.10000E+01 volume 0.24028E-02 ppm1 2.838 ppm2 4.759 CV 1 ASSI { 4119} (( segid " A" and resid 238 and name HB1 )) (( segid " A" and resid 238 and name HB2 )) 1.900 0.500 0.500 peak 4119 spectrum 1 weight 0.10000E+01 volume 0.79616E-02 ppm1 2.349 ppm2 2.839 CV 1 ASSI { 4121} (( segid " A" and resid 238 and name HB2 )) (( segid " A" and resid 226 and name HB2 )) 3.400 1.500 1.500 peak 4121 spectrum 1 weight 0.10000E+01 volume 0.97211E-03 ppm1 2.839 ppm2 2.005 CV 1 OR { 4121} (( segid " A" and resid 238 and name HB2 )) (( segid " A" and resid 226 and name HB1 )) ASSI { 4122} (( segid " A" and resid 238 and name HB2 )) (( segid " A" and resid 226 and name HD2 )) 3.900 1.900 1.900 peak 4122 spectrum 1 weight 0.10000E+01 volume 0.13383E-02 ppm1 2.839 ppm2 1.673 CV 1 OR { 4122} (( segid " A" and resid 238 and name HB2 )) (( segid " A" and resid 226 and name HD1 )) ASSI { 4123} (( segid " A" and resid 238 and name HB2 )) (( segid " A" and resid 226 and name HG1 )) 3.700 1.700 1.700 peak 4123 spectrum 1 weight 0.10000E+01 volume 0.84144E-03 ppm1 2.835 ppm2 1.252 CV 1 OR { 4123} (( segid " A" and resid 238 and name HB2 )) (( segid " A" and resid 255 and name HB )) ASSI { 4124} (( segid " A" and resid 238 and name HB1 )) (( segid " A" and resid 226 and name HG1 )) 4.100 2.100 1.900 peak 4124 spectrum 1 weight 0.10000E+01 volume 0.70661E-03 ppm1 2.353 ppm2 1.250 CV 1 ASSI { 4125} (( segid " A" and resid 238 and name HB2 )) ( segid " A" and resid 235 and name HD1%) 4.000 2.000 2.000 peak 4125 spectrum 1 weight 0.10000E+01 volume 0.11777E-02 ppm1 2.830 ppm2 0.694 CV 1 ASSI { 4126} (( segid " A" and resid 238 and name HB2 )) (( segid " A" and resid 255 and name HG12)) 2.700 0.900 0.900 peak 4126 spectrum 1 weight 0.10000E+01 volume 0.38385E-02 ppm1 2.835 ppm2 0.579 CV 1 OR { 4126} (( segid " A" and resid 238 and name HB2 )) ( segid " A" and resid 235 and name HG2%) ASSI { 4127} (( segid " A" and resid 238 and name HB1 )) ( segid " A" and resid 235 and name HD1%) 4.500 2.500 1.500 peak 4127 spectrum 1 weight 0.10000E+01 volume 0.15389E-02 ppm1 2.346 ppm2 0.692 CV 1 ASSI { 4128} (( segid " A" and resid 238 and name HB1 )) (( segid " A" and resid 255 and name HG12)) 3.100 1.200 1.200 peak 4128 spectrum 1 weight 0.10000E+01 volume 0.53225E-02 ppm1 2.349 ppm2 0.580 CV 1 OR { 4128} (( segid " A" and resid 238 and name HB1 )) ( segid " A" and resid 235 and name HG2%) ASSI { 4129} (( segid " A" and resid 238 and name HB1 )) ( segid " A" and resid 255 and name HG2%) 4.100 2.100 1.900 peak 4129 spectrum 1 weight 0.10000E+01 volume 0.16354E-02 ppm1 2.351 ppm2 0.224 CV 1 ASSI { 4130} (( segid " A" and resid 238 and name HB2 )) ( segid " A" and resid 255 and name HG2%) 3.500 1.500 1.500 peak 4130 spectrum 1 weight 0.10000E+01 volume 0.11311E-02 ppm1 2.840 ppm2 0.231 CV 1 ASSI { 4132} (( segid " A" and resid 238 and name HB2 )) ( segid " A" and resid 255 and name HD1%) 4.100 2.100 1.900 peak 4132 spectrum 1 weight 0.10000E+01 volume 0.47357E-03 ppm1 2.851 ppm2 -0.127 CV 1 ASSI { 4136} (( segid " A" and resid 244 and name HB1 )) (( segid " A" and resid 244 and name HA )) 2.200 0.600 0.600 peak 4136 spectrum 1 weight 0.10000E+01 volume 0.15447E-01 ppm1 2.355 ppm2 4.393 CV 1 ASSI { 4137} (( segid " A" and resid 244 and name HB2 )) (( segid " A" and resid 244 and name HA )) 2.700 0.900 0.900 peak 4137 spectrum 1 weight 0.10000E+01 volume 0.12975E-01 ppm1 2.033 ppm2 4.392 CV 1 ASSI { 4138} (( segid " A" and resid 244 and name HG1 )) (( segid " A" and resid 244 and name HA )) 3.600 1.600 1.600 peak 4138 spectrum 1 weight 0.10000E+01 volume 0.56837E-02 ppm1 2.082 ppm2 4.392 CV 1 OR { 4138} (( segid " A" and resid 244 and name HG2 )) (( segid " A" and resid 244 and name HA )) ASSI { 4139} (( segid " A" and resid 244 and name HG1 )) (( segid " A" and resid 244 and name HD2 )) 2.200 0.600 0.600 peak 4139 spectrum 1 weight 0.10000E+01 volume 0.14240E-01 ppm1 2.083 ppm2 4.069 CV 1 OR { 4139} (( segid " A" and resid 244 and name HG2 )) (( segid " A" and resid 244 and name HD2 )) ASSI { 4140} (( segid " A" and resid 244 and name HG1 )) (( segid " A" and resid 243 and name HA )) 4.200 2.200 1.800 peak 4140 spectrum 1 weight 0.10000E+01 volume 0.46541E-02 ppm1 2.081 ppm2 4.917 CV 1 OR { 4140} (( segid " A" and resid 244 and name HG2 )) (( segid " A" and resid 243 and name HA )) ASSI { 4141} (( segid " A" and resid 244 and name HG2 )) ( segid " A" and resid 245 and name HG2%) 3.600 1.600 1.600 peak 4141 spectrum 1 weight 0.10000E+01 volume 0.23662E-02 ppm1 2.083 ppm2 1.243 CV 1 OR { 4141} (( segid " A" and resid 244 and name HG1 )) ( segid " A" and resid 245 and name HG2%) ASSI { 4142} (( segid " A" and resid 244 and name HG2 )) (( segid " A" and resid 245 and name HN )) 3.500 1.600 1.600 peak 4142 spectrum 1 weight 0.10000E+01 volume 0.14140E-02 ppm1 2.078 ppm2 8.439 CV 1 OR { 4142} (( segid " A" and resid 244 and name HG1 )) (( segid " A" and resid 245 and name HN )) ASSI { 4143} (( segid " A" and resid 244 and name HD2 )) (( segid " A" and resid 243 and name HA )) 2.300 0.700 0.700 peak 4143 spectrum 1 weight 0.10000E+01 volume 0.84227E-02 ppm1 4.083 ppm2 4.918 CV 1 ASSI { 4144} (( segid " A" and resid 244 and name HD1 )) (( segid " A" and resid 243 and name HA )) 2.600 0.800 0.800 peak 4144 spectrum 1 weight 0.10000E+01 volume 0.94964E-02 ppm1 3.992 ppm2 4.927 CV 1 ASSI { 4146} (( segid " A" and resid 244 and name HD1 )) (( segid " A" and resid 244 and name HB1 )) 3.200 1.300 1.300 peak 4146 spectrum 1 weight 0.10000E+01 volume 0.29355E-02 ppm1 4.003 ppm2 2.374 CV 1 ASSI { 4147} (( segid " A" and resid 244 and name HD2 )) (( segid " A" and resid 244 and name HB1 )) 4.200 2.200 1.800 peak 4147 spectrum 1 weight 0.10000E+01 volume 0.22663E-02 ppm1 4.087 ppm2 2.363 CV 1 ASSI { 4148} (( segid " A" and resid 244 and name HD1 )) (( segid " A" and resid 244 and name HG1 )) 2.400 0.700 0.700 peak 4148 spectrum 1 weight 0.10000E+01 volume 0.11178E-01 ppm1 4.001 ppm2 2.075 CV 1 OR { 4148} (( segid " A" and resid 244 and name HD1 )) (( segid " A" and resid 244 and name HG2 )) ASSI { 4150} (( segid " A" and resid 248 and name HG1 )) (( segid " A" and resid 248 and name HE2 )) 2.500 0.800 0.800 peak 4150 spectrum 1 weight 0.10000E+01 volume 0.15414E-01 ppm1 1.358 ppm2 2.969 CV 1 OR { 4150} (( segid " A" and resid 248 and name HG1 )) (( segid " A" and resid 248 and name HE1 )) OR { 4150} (( segid " A" and resid 248 and name HG2 )) (( segid " A" and resid 248 and name HE2 )) OR { 4150} (( segid " A" and resid 248 and name HG2 )) (( segid " A" and resid 248 and name HE1 )) OR { 4150} (( segid " A" and resid 236 and name HG2 )) (( segid " A" and resid 236 and name HE2 )) OR { 4150} (( segid " A" and resid 236 and name HG2 )) (( segid " A" and resid 236 and name HE1 )) OR { 4150} (( segid " A" and resid 236 and name HG1 )) (( segid " A" and resid 236 and name HE2 )) OR { 4150} (( segid " A" and resid 236 and name HG1 )) (( segid " A" and resid 236 and name HE1 )) ASSI { 4151} (( segid " A" and resid 250 and name HD2 )) ( segid " A" and resid 252 and name HE% ) 3.700 1.700 1.700 peak 4151 spectrum 1 weight 0.10000E+01 volume 0.16329E-02 ppm1 1.811 ppm2 6.806 CV 1 ASSI { 4152} (( segid " A" and resid 250 and name HD1 )) ( segid " A" and resid 252 and name HE% ) 3.100 1.200 1.200 peak 4152 spectrum 1 weight 0.10000E+01 volume 0.17703E-02 ppm1 1.739 ppm2 6.814 CV 1 ASSI { 4153} (( segid " A" and resid 155 and name HB1 )) ( segid " A" and resid 155 and name HD% ) 3.200 1.300 1.300 peak 4153 spectrum 1 weight 0.10000E+01 volume 0.23862E-02 ppm1 2.960 ppm2 6.810 CV 1 ASSI { 4154} (( segid " A" and resid 260 and name HA )) ( segid " A" and resid 260 and name HB% ) 2.000 0.500 0.500 peak 4154 spectrum 1 weight 0.10000E+01 volume 0.33058E-01 ppm1 3.940 ppm2 1.446 CV 1 ASSI { 4156} ( segid " A" and resid 260 and name HB% ) (( segid " A" and resid 209 and name HD22)) 3.700 1.700 1.700 peak 4156 spectrum 1 weight 0.10000E+01 volume 0.18793E-02 ppm1 1.429 ppm2 6.622 CV 1 OR { 4156} ( segid " A" and resid 260 and name HB% ) (( segid " A" and resid 209 and name HD21)) ASSI { 4158} (( segid " A" and resid 288 and name HA )) ( segid " A" and resid 205 and name HB% ) 4.200 2.200 1.800 peak 4158 spectrum 1 weight 0.10000E+01 volume 0.75405E-03 ppm1 4.355 ppm2 1.147 CV 1 ASSI { 4159} (( segid " A" and resid 288 and name HB2 )) (( segid " A" and resid 288 and name HA )) 2.800 1.000 1.000 peak 4159 spectrum 1 weight 0.10000E+01 volume 0.56437E-02 ppm1 1.884 ppm2 4.355 CV 1 ASSI { 4160} (( segid " A" and resid 288 and name HB1 )) (( segid " A" and resid 288 and name HA )) 2.900 1.000 1.000 peak 4160 spectrum 1 weight 0.10000E+01 volume 0.21556E-02 ppm1 2.001 ppm2 4.366 CV 1 ASSI { 4161} (( segid " A" and resid 288 and name HG2 )) (( segid " A" and resid 288 and name HA )) 4.400 2.400 1.600 peak 4161 spectrum 1 weight 0.10000E+01 volume 0.10129E-02 ppm1 1.762 ppm2 4.364 CV 1 ASSI { 4162} (( segid " A" and resid 288 and name HG2 )) (( segid " A" and resid 287 and name HB )) 4.200 2.200 1.800 peak 4162 spectrum 1 weight 0.10000E+01 volume 0.16146E-02 ppm1 1.757 ppm2 4.236 CV 1 ASSI { 4164} (( segid " A" and resid 288 and name HG1 )) (( segid " A" and resid 288 and name HD2 )) 3.100 1.200 1.200 peak 4164 spectrum 1 weight 0.10000E+01 volume 0.31485E-02 ppm1 2.315 ppm2 3.933 CV 1 ASSI { 4165} (( segid " A" and resid 288 and name HG1 )) (( segid " A" and resid 288 and name HA )) 4.500 2.500 1.500 peak 4165 spectrum 1 weight 0.10000E+01 volume 0.11494E-02 ppm1 2.313 ppm2 4.368 CV 1 ASSI { 4166} (( segid " A" and resid 288 and name HG1 )) (( segid " A" and resid 287 and name HB )) 5.000 3.100 1.000 peak 4166 spectrum 1 weight 0.10000E+01 volume 0.13350E-02 ppm1 2.322 ppm2 4.228 CV 1 ASSI { 4167} (( segid " A" and resid 288 and name HG2 )) (( segid " A" and resid 288 and name HD1 )) 3.500 1.500 1.500 peak 4167 spectrum 1 weight 0.10000E+01 volume 0.25534E-02 ppm1 1.758 ppm2 3.536 CV 1 ASSI { 4168} (( segid " A" and resid 288 and name HG1 )) (( segid " A" and resid 288 and name HD1 )) 2.600 0.900 0.900 peak 4168 spectrum 1 weight 0.10000E+01 volume 0.27940E-02 ppm1 2.317 ppm2 3.536 CV 1 ASSI { 4169} (( segid " A" and resid 288 and name HG2 )) (( segid " A" and resid 288 and name HG1 )) 2.000 0.500 0.500 peak 4169 spectrum 1 weight 0.10000E+01 volume 0.78676E-02 ppm1 1.759 ppm2 2.313 CV 1 ASSI { 4170} (( segid " A" and resid 288 and name HG2 )) (( segid " A" and resid 204 and name HB2 )) 4.500 2.600 1.500 peak 4170 spectrum 1 weight 0.10000E+01 volume 0.24802E-02 ppm1 1.759 ppm2 2.144 CV 1 ASSI { 4171} (( segid " A" and resid 288 and name HG2 )) (( segid " A" and resid 288 and name HB1 )) 3.600 1.600 1.600 peak 4171 spectrum 1 weight 0.10000E+01 volume 0.26675E-02 ppm1 1.755 ppm2 2.015 CV 1 ASSI { 4173} (( segid " A" and resid 288 and name HG1 )) (( segid " A" and resid 288 and name HB2 )) 2.800 1.000 1.000 peak 4173 spectrum 1 weight 0.10000E+01 volume 0.55497E-02 ppm1 2.317 ppm2 1.877 CV 1 ASSI { 4175} (( segid " A" and resid 288 and name HG2 )) ( segid " A" and resid 205 and name HB% ) 5.200 3.400 0.800 peak 4175 spectrum 1 weight 0.10000E+01 volume 0.62504E-03 ppm1 1.760 ppm2 1.139 CV 1 ASSI { 4176} (( segid " A" and resid 288 and name HG1 )) ( segid " A" and resid 205 and name HB% ) 4.300 2.300 1.700 peak 4176 spectrum 1 weight 0.10000E+01 volume 0.11061E-02 ppm1 2.317 ppm2 1.138 CV 1 ASSI { 4177} (( segid " A" and resid 111 and name HB2 )) (( segid " A" and resid 112 and name HB2 )) 4.600 2.600 1.400 peak 4177 spectrum 1 weight 0.10000E+01 volume 0.11793E-02 ppm1 2.274 ppm2 3.084 CV 1 OR { 4177} (( segid " A" and resid 111 and name HB1 )) (( segid " A" and resid 112 and name HB2 )) ASSI { 4178} ( segid " A" and resid 162 and name HG2%) ( segid " A" and resid 135 and name HD% ) 4.300 2.300 1.700 peak 4178 spectrum 1 weight 0.10000E+01 volume 0.25568E-02 ppm1 0.764 ppm2 7.288 CV 1 OR { 4178} ( segid " A" and resid 162 and name HG2%) ( segid " A" and resid 254 and name HD% ) ASSI { 4179} (( segid " A" and resid 209 and name HB1 )) (( segid " A" and resid 209 and name HD22)) 4.000 2.000 2.000 peak 4179 spectrum 1 weight 0.10000E+01 volume 0.26641E-02 ppm1 2.649 ppm2 6.615 CV 1 ASSI { 4180} (( segid " A" and resid 209 and name HB2 )) (( segid " A" and resid 209 and name HD22)) 3.900 1.900 1.900 peak 4180 spectrum 1 weight 0.10000E+01 volume 0.32434E-02 ppm1 3.564 ppm2 6.614 CV 1 ASSI { 4182} (( segid " A" and resid 135 and name HA )) (( segid " A" and resid 169 and name HA )) 3.500 1.600 1.600 peak 4182 spectrum 1 weight 0.10000E+01 volume 0.55097E-02 ppm1 3.881 ppm2 2.370 CV 1 OR { 4182} (( segid " A" and resid 217 and name HA )) (( segid " A" and resid 278 and name HG2 )) ASSI { 4183} (( segid " A" and resid 135 and name HA )) ( segid " A" and resid 214 and name HB% ) 2.800 1.000 1.000 peak 4183 spectrum 1 weight 0.10000E+01 volume 0.40233E-02 ppm1 3.880 ppm2 1.248 CV 1 ASSI { 4184} (( segid " A" and resid 242 and name HB2 )) (( segid " A" and resid 242 and name HD1 )) 3.100 1.200 1.200 peak 4184 spectrum 1 weight 0.10000E+01 volume 0.23229E-02 ppm1 1.367 ppm2 2.957 CV 1 ASSI { 4185} ( segid " A" and resid 116 and name HG1%) ( segid " A" and resid 132 and name HE% ) 3.100 1.200 1.200 peak 4185 spectrum 1 weight 0.10000E+01 volume 0.28148E-02 ppm1 0.293 ppm2 6.904 CV 1 ASSI { 1} (( segid " A" and resid 145 and name HD1 )) (( segid " A" and resid 145 and name HE1 )) 2.900 1.000 1.000 peak 1 spectrum 1 weight 0.10000E+01 volume 0.68397E-02 ppm1 7.124 ppm2 10.119 CV 1 ASSI { 2} (( segid " A" and resid 145 and name HH2 )) (( segid " A" and resid 145 and name HZ2 )) 2.500 0.800 0.800 peak 2 spectrum 1 weight 0.10000E+01 volume 0.11913E-01 ppm1 7.195 ppm2 7.443 CV 1 ASSI { 3} (( segid " A" and resid 145 and name HH2 )) (( segid " A" and resid 150 and name HB1 )) 3.200 1.300 1.300 peak 3 spectrum 1 weight 0.10000E+01 volume 0.17869E-02 ppm1 7.194 ppm2 2.214 CV 1 ASSI { 4} ( segid " A" and resid 279 and name HE% ) (( segid " A" and resid 274 and name HB2 )) 3.000 3.000 3.000 peak 4 spectrum 1 weight 0.10000E+01 volume 0.51371E-02 ppm1 6.768 ppm2 2.453 CV 1 ASSI { 5} ( segid " A" and resid 279 and name HE% ) (( segid " A" and resid 279 and name HB1 )) 2.600 2.600 3.400 peak 5 spectrum 1 weight 0.10000E+01 volume 0.29800E-02 ppm1 6.771 ppm2 2.564 CV 1 ASSI { 7} (( segid " A" and resid 145 and name HZ2 )) (( segid " A" and resid 145 and name HE1 )) 3.300 1.300 1.300 peak 7 spectrum 1 weight 0.10000E+01 volume 0.28810E-02 ppm1 7.449 ppm2 10.117 CV 1 ASSI { 8} ( segid " A" and resid 254 and name HD% ) (( segid " A" and resid 254 and name HA )) 3.200 1.300 1.300 peak 8 spectrum 1 weight 0.10000E+01 volume 0.35335E-02 ppm1 7.266 ppm2 5.754 CV 1 ASSI { 9} ( segid " A" and resid 254 and name HD% ) (( segid " A" and resid 254 and name HB2 )) 2.400 0.700 0.700 peak 9 spectrum 1 weight 0.10000E+01 volume 0.10454E-01 ppm1 7.266 ppm2 2.755 CV 1 OR { 9} ( segid " A" and resid 254 and name HD% ) (( segid " A" and resid 254 and name HB1 )) ASSI { 10} ( segid " A" and resid 115 and name HD% ) (( segid " A" and resid 115 and name HB2 )) 2.400 0.700 0.700 peak 10 spectrum 1 weight 0.10000E+01 volume 0.93651E-02 ppm1 6.389 ppm2 2.395 CV 1 ASSI { 11} ( segid " A" and resid 115 and name HD% ) (( segid " A" and resid 116 and name HN )) 3.500 1.600 1.600 peak 11 spectrum 1 weight 0.10000E+01 volume 0.21498E-02 ppm1 6.384 ppm2 8.382 CV 1 ASSI { 12} ( segid " A" and resid 115 and name HD% ) (( segid " A" and resid 115 and name HN )) 4.200 2.200 1.800 peak 12 spectrum 1 weight 0.10000E+01 volume 0.23184E-02 ppm1 6.385 ppm2 8.834 CV 1 ASSI { 13} ( segid " A" and resid 115 and name HD% ) (( segid " A" and resid 186 and name HN )) 3.300 1.300 1.300 peak 13 spectrum 1 weight 0.10000E+01 volume 0.25200E-02 ppm1 6.385 ppm2 8.998 CV 1 ASSI { 14} ( segid " A" and resid 115 and name HD% ) (( segid " A" and resid 115 and name HA )) 3.000 1.200 1.200 peak 14 spectrum 1 weight 0.10000E+01 volume 0.44388E-02 ppm1 6.385 ppm2 4.501 CV 1 ASSI { 15} (( segid " A" and resid 145 and name HD1 )) (( segid " A" and resid 145 and name HB2 )) 3.100 1.200 1.200 peak 15 spectrum 1 weight 0.10000E+01 volume 0.59178E-02 ppm1 7.123 ppm2 3.035 CV 1 ASSI { 16} ( segid " A" and resid 273 and name HD% ) (( segid " A" and resid 273 and name HB2 )) 2.400 0.700 0.700 peak 16 spectrum 1 weight 0.10000E+01 volume 0.89216E-02 ppm1 7.101 ppm2 3.005 CV 1 ASSI { 17} ( segid " A" and resid 279 and name HD% ) (( segid " A" and resid 279 and name HB2 )) 2.500 0.800 0.800 peak 17 spectrum 1 weight 0.10000E+01 volume 0.68708E-02 ppm1 6.980 ppm2 2.732 CV 1 ASSI { 18} ( segid " A" and resid 279 and name HD% ) (( segid " A" and resid 279 and name HB1 )) 2.800 1.000 1.000 peak 18 spectrum 1 weight 0.10000E+01 volume 0.57859E-02 ppm1 6.980 ppm2 2.554 CV 1 ASSI { 19} ( segid " A" and resid 279 and name HD% ) (( segid " A" and resid 274 and name HB1 )) 3.200 1.300 1.300 peak 19 spectrum 1 weight 0.10000E+01 volume 0.54981E-02 ppm1 6.980 ppm2 2.099 CV 1 ASSI { 20} ( segid " A" and resid 279 and name HD% ) (( segid " A" and resid 279 and name HA )) 2.700 0.900 0.900 peak 20 spectrum 1 weight 0.10000E+01 volume 0.56887E-02 ppm1 6.980 ppm2 4.778 CV 1 ASSI { 21} ( segid " A" and resid 279 and name HD% ) (( segid " A" and resid 274 and name HA )) 2.800 1.000 1.000 peak 21 spectrum 1 weight 0.10000E+01 volume 0.72355E-02 ppm1 6.981 ppm2 4.347 CV 1 OR { 21} ( segid " A" and resid 279 and name HD% ) (( segid " A" and resid 273 and name HA )) ASSI { 22} ( segid " A" and resid 279 and name HD% ) (( segid " A" and resid 272 and name HB1 )) 3.000 1.100 1.100 peak 22 spectrum 1 weight 0.10000E+01 volume 0.31651E-02 ppm1 6.980 ppm2 1.529 CV 1 ASSI { 23} ( segid " A" and resid 279 and name HD% ) (( segid " A" and resid 280 and name HN )) 3.800 1.800 1.800 peak 23 spectrum 1 weight 0.10000E+01 volume 0.29800E-02 ppm1 6.980 ppm2 9.166 CV 1 ASSI { 24} ( segid " A" and resid 279 and name HD% ) (( segid " A" and resid 279 and name HN )) 3.100 1.200 1.200 peak 24 spectrum 1 weight 0.10000E+01 volume 0.41474E-02 ppm1 6.980 ppm2 8.162 CV 1 ASSI { 25} ( segid " A" and resid 279 and name HD% ) (( segid " A" and resid 274 and name HN )) 3.100 1.200 1.200 peak 25 spectrum 1 weight 0.10000E+01 volume 0.30423E-02 ppm1 6.979 ppm2 7.725 CV 1 OR { 25} ( segid " A" and resid 279 and name HD% ) (( segid " A" and resid 273 and name HN )) ASSI { 26} ( segid " A" and resid 279 and name HD% ) ( segid " A" and resid 279 and name HE% ) 1.700 0.300 0.500 peak 26 spectrum 1 weight 0.10000E+01 volume 0.12177E+00 ppm1 6.980 ppm2 6.771 CV 1 ASSI { 28} ( segid " A" and resid 279 and name HE% ) (( segid " A" and resid 279 and name HN )) 2.800 2.800 3.200 peak 28 spectrum 1 weight 0.10000E+01 volume 0.18492E-02 ppm1 6.768 ppm2 8.158 CV 1 ASSI { 29} ( segid " A" and resid 279 and name HE% ) (( segid " A" and resid 274 and name HN )) 3.400 1.500 1.500 peak 29 spectrum 1 weight 0.10000E+01 volume 0.25016E-02 ppm1 6.770 ppm2 7.725 CV 1 ASSI { 31} ( segid " A" and resid 115 and name HE% ) (( segid " A" and resid 117 and name HN )) 3.600 1.700 1.700 peak 31 spectrum 1 weight 0.10000E+01 volume 0.19537E-02 ppm1 6.230 ppm2 9.091 CV 1 OR { 31} ( segid " A" and resid 115 and name HE% ) (( segid " A" and resid 156 and name HN )) ASSI { 32} ( segid " A" and resid 257 and name HD% ) (( segid " A" and resid 257 and name HN )) 2.900 1.000 1.000 peak 32 spectrum 1 weight 0.10000E+01 volume 0.34510E-02 ppm1 6.953 ppm2 8.811 CV 1 ASSI { 33} ( segid " A" and resid 257 and name HE% ) (( segid " A" and resid 257 and name HH )) 2.500 0.800 0.800 peak 33 spectrum 1 weight 0.10000E+01 volume 0.38560E-02 ppm1 6.666 ppm2 8.807 CV 1 ASSI { 34} ( segid " A" and resid 254 and name HD% ) (( segid " A" and resid 255 and name HN )) 4.000 2.000 2.000 peak 34 spectrum 1 weight 0.10000E+01 volume 0.18125E-02 ppm1 7.271 ppm2 8.725 CV 1 ASSI { 36} ( segid " A" and resid 273 and name HD% ) (( segid " A" and resid 275 and name HN )) 3.900 1.900 1.900 peak 36 spectrum 1 weight 0.10000E+01 volume 0.17044E-02 ppm1 7.104 ppm2 8.348 CV 1 ASSI { 37} ( segid " A" and resid 257 and name HD% ) (( segid " A" and resid 258 and name HN )) 3.800 1.800 1.800 peak 37 spectrum 1 weight 0.10000E+01 volume 0.17099E-02 ppm1 6.958 ppm2 8.268 CV 1 ASSI { 38} (( segid " A" and resid 145 and name HD1 )) (( segid " A" and resid 145 and name HN )) 4.200 2.200 1.800 peak 38 spectrum 1 weight 0.10000E+01 volume 0.14094E-02 ppm1 7.126 ppm2 8.265 CV 1 OR { 38} (( segid " A" and resid 145 and name HD1 )) (( segid " A" and resid 146 and name HN )) ASSI { 39} ( segid " A" and resid 254 and name HD% ) (( segid " A" and resid 254 and name HN )) 3.000 1.100 1.100 peak 39 spectrum 1 weight 0.10000E+01 volume 0.32732E-02 ppm1 7.263 ppm2 7.801 CV 1 ASSI { 40} ( segid " A" and resid 273 and name HD% ) (( segid " A" and resid 273 and name HN )) 3.300 1.400 1.400 peak 40 spectrum 1 weight 0.10000E+01 volume 0.59105E-02 ppm1 7.102 ppm2 7.722 CV 1 OR { 40} ( segid " A" and resid 273 and name HD% ) (( segid " A" and resid 274 and name HN )) ASSI { 42} ( segid " A" and resid 115 and name HD% ) ( segid " A" and resid 157 and name HE% ) 2.700 2.700 3.300 peak 42 spectrum 1 weight 0.10000E+01 volume 0.45634E-02 ppm1 6.386 ppm2 7.358 CV 1 ASSI { 43} ( segid " A" and resid 115 and name HE% ) ( segid " A" and resid 157 and name HE% ) 3.600 1.600 1.600 peak 43 spectrum 1 weight 0.10000E+01 volume 0.32311E-02 ppm1 6.232 ppm2 7.361 CV 1 ASSI { 44} ( segid " A" and resid 257 and name HE% ) ( segid " A" and resid 257 and name HD% ) 2.400 0.700 0.700 peak 44 spectrum 1 weight 0.10000E+01 volume 0.59985E-02 ppm1 6.666 ppm2 6.949 CV 1 ASSI { 45} ( segid " A" and resid 115 and name HE% ) ( segid " A" and resid 155 and name HD% ) 3.300 1.300 1.300 peak 45 spectrum 1 weight 0.10000E+01 volume 0.37882E-02 ppm1 6.228 ppm2 6.824 CV 1 ASSI { 47} ( segid " A" and resid 115 and name HE% ) ( segid " A" and resid 115 and name HD% ) 2.000 0.500 0.500 peak 47 spectrum 1 weight 0.10000E+01 volume 0.39935E-01 ppm1 6.228 ppm2 6.387 CV 1 ASSI { 49} ( segid " A" and resid 115 and name HD% ) (( segid " A" and resid 157 and name HA )) 4.100 2.100 1.900 peak 49 spectrum 1 weight 0.10000E+01 volume 0.13434E-02 ppm1 6.394 ppm2 5.472 CV 1 ASSI { 50} ( segid " A" and resid 115 and name HD% ) (( segid " A" and resid 185 and name HA )) 3.800 1.800 1.800 peak 50 spectrum 1 weight 0.10000E+01 volume 0.12389E-02 ppm1 6.389 ppm2 5.344 CV 1 ASSI { 51} ( segid " A" and resid 257 and name HD% ) (( segid " A" and resid 257 and name HA )) 3.000 1.100 1.100 peak 51 spectrum 1 weight 0.10000E+01 volume 0.29690E-02 ppm1 6.951 ppm2 4.931 CV 1 ASSI { 52} ( segid " A" and resid 273 and name HD% ) (( segid " A" and resid 270 and name HA )) 3.600 1.600 1.600 peak 52 spectrum 1 weight 0.10000E+01 volume 0.28297E-02 ppm1 7.102 ppm2 4.874 CV 1 ASSI { 53} ( segid " A" and resid 279 and name HE% ) (( segid " A" and resid 279 and name HA )) 4.200 2.200 1.800 peak 53 spectrum 1 weight 0.10000E+01 volume 0.24467E-02 ppm1 6.769 ppm2 4.768 CV 1 ASSI { 54} ( segid " A" and resid 254 and name HD% ) (( segid " A" and resid 212 and name HA )) 3.000 1.100 1.100 peak 54 spectrum 1 weight 0.10000E+01 volume 0.30460E-02 ppm1 7.265 ppm2 4.703 CV 1 ASSI { 55} (( segid " A" and resid 249 and name HD2 )) (( segid " A" and resid 219 and name HA )) 3.400 1.400 1.400 peak 55 spectrum 1 weight 0.10000E+01 volume 0.26538E-02 ppm1 7.069 ppm2 4.727 CV 1 ASSI { 56} ( segid " A" and resid 257 and name HE% ) (( segid " A" and resid 229 and name HA )) 4.800 2.800 1.200 peak 56 spectrum 1 weight 0.10000E+01 volume 0.10703E-02 ppm1 6.661 ppm2 4.389 CV 1 ASSI { 57} ( segid " A" and resid 279 and name HE% ) (( segid " A" and resid 274 and name HA )) 3.100 3.100 2.900 peak 57 spectrum 1 weight 0.10000E+01 volume 0.50271E-02 ppm1 6.768 ppm2 4.350 CV 1 ASSI { 58} ( segid " A" and resid 254 and name HD% ) (( segid " A" and resid 253 and name HA2 )) 3.200 1.300 1.300 peak 58 spectrum 1 weight 0.10000E+01 volume 0.18895E-02 ppm1 7.267 ppm2 4.042 CV 1 OR { 58} ( segid " A" and resid 254 and name HD% ) (( segid " A" and resid 253 and name HA1 )) ASSI { 59} ( segid " A" and resid 257 and name HD% ) (( segid " A" and resid 235 and name HA )) 3.100 1.200 1.200 peak 59 spectrum 1 weight 0.10000E+01 volume 0.17539E-02 ppm1 6.954 ppm2 4.027 CV 1 ASSI { 60} ( segid " A" and resid 115 and name HD% ) (( segid " A" and resid 186 and name HA2 )) 4.500 2.500 1.500 peak 60 spectrum 1 weight 0.10000E+01 volume 0.11161E-02 ppm1 6.383 ppm2 3.944 CV 1 ASSI { 61} (( segid " A" and resid 145 and name HZ2 )) (( segid " A" and resid 150 and name HA )) 3.600 1.600 1.600 peak 61 spectrum 1 weight 0.10000E+01 volume 0.15468E-02 ppm1 7.446 ppm2 3.914 CV 1 ASSI { 62} ( segid " A" and resid 279 and name HD% ) (( segid " A" and resid 272 and name HA )) 3.600 1.600 1.600 peak 62 spectrum 1 weight 0.10000E+01 volume 0.25016E-02 ppm1 6.981 ppm2 3.896 CV 1 ASSI { 63} ( segid " A" and resid 279 and name HE% ) (( segid " A" and resid 272 and name HA )) 3.100 3.100 2.900 peak 63 spectrum 1 weight 0.10000E+01 volume 0.11491E-02 ppm1 6.769 ppm2 3.900 CV 1 ASSI { 64} ( segid " A" and resid 257 and name HD% ) (( segid " A" and resid 263 and name HA )) 2.800 1.000 1.000 peak 64 spectrum 1 weight 0.10000E+01 volume 0.48274E-02 ppm1 6.953 ppm2 3.738 CV 1 OR { 64} ( segid " A" and resid 257 and name HD% ) (( segid " A" and resid 263 and name HB2 )) ASSI { 65} ( segid " A" and resid 257 and name HE% ) (( segid " A" and resid 263 and name HA )) 3.300 1.400 1.400 peak 65 spectrum 1 weight 0.10000E+01 volume 0.16861E-02 ppm1 6.666 ppm2 3.724 CV 1 ASSI { 66} ( segid " A" and resid 257 and name HD% ) (( segid " A" and resid 257 and name HB2 )) 2.800 1.000 1.000 peak 66 spectrum 1 weight 0.10000E+01 volume 0.44663E-02 ppm1 6.954 ppm2 3.560 CV 1 ASSI { 67} ( segid " A" and resid 115 and name HE% ) (( segid " A" and resid 117 and name HA1 )) 3.100 3.100 2.900 peak 67 spectrum 1 weight 0.10000E+01 volume 0.22634E-02 ppm1 6.228 ppm2 3.530 CV 1 ASSI { 68} ( segid " A" and resid 257 and name HE% ) (( segid " A" and resid 229 and name HB1 )) 4.000 2.000 2.000 peak 68 spectrum 1 weight 0.10000E+01 volume 0.14185E-02 ppm1 6.665 ppm2 3.517 CV 1 ASSI { 69} (( segid " A" and resid 249 and name HD2 )) (( segid " A" and resid 249 and name HB1 )) 3.200 1.300 1.300 peak 69 spectrum 1 weight 0.10000E+01 volume 0.18712E-02 ppm1 7.067 ppm2 3.273 CV 1 ASSI { 70} ( segid " A" and resid 273 and name HE% ) (( segid " A" and resid 273 and name HB1 )) 3.800 1.800 1.800 peak 70 spectrum 1 weight 0.10000E+01 volume 0.18712E-02 ppm1 7.250 ppm2 3.141 CV 1 OR { 70} ( segid " A" and resid 135 and name HD% ) (( segid " A" and resid 281 and name HD2 )) ASSI { 72} ( segid " A" and resid 273 and name HE% ) (( segid " A" and resid 273 and name HB2 )) 4.400 2.500 1.600 peak 72 spectrum 1 weight 0.10000E+01 volume 0.16073E-02 ppm1 7.251 ppm2 3.000 CV 1 ASSI { 73} ( segid " A" and resid 115 and name HE% ) (( segid " A" and resid 155 and name HB1 )) 3.300 1.400 1.400 peak 73 spectrum 1 weight 0.10000E+01 volume 0.31907E-02 ppm1 6.228 ppm2 2.963 CV 1 ASSI { 74} ( segid " A" and resid 257 and name HE% ) (( segid " A" and resid 229 and name HB2 )) 5.100 3.200 0.900 peak 74 spectrum 1 weight 0.10000E+01 volume 0.11564E-02 ppm1 6.663 ppm2 2.799 CV 1 OR { 74} ( segid " A" and resid 257 and name HE% ) (( segid " A" and resid 262 and name HB2 )) ASSI { 75} ( segid " A" and resid 115 and name HE% ) (( segid " A" and resid 155 and name HB2 )) 3.200 1.300 1.300 peak 75 spectrum 1 weight 0.10000E+01 volume 0.34821E-02 ppm1 6.228 ppm2 2.771 CV 1 ASSI { 77} ( segid " A" and resid 257 and name HE% ) (( segid " A" and resid 232 and name HB2 )) 4.100 2.100 1.900 peak 77 spectrum 1 weight 0.10000E+01 volume 0.10850E-02 ppm1 6.662 ppm2 2.640 CV 1 ASSI { 78} (( segid " A" and resid 249 and name HD2 )) (( segid " A" and resid 249 and name HB2 )) 3.900 1.900 1.900 peak 78 spectrum 1 weight 0.10000E+01 volume 0.26538E-02 ppm1 7.067 ppm2 2.591 CV 1 ASSI { 79} ( segid " A" and resid 115 and name HE% ) (( segid " A" and resid 115 and name HB2 )) 4.200 2.200 1.800 peak 79 spectrum 1 weight 0.10000E+01 volume 0.27491E-02 ppm1 6.228 ppm2 2.393 CV 1 ASSI { 80} (( segid " A" and resid 145 and name HZ2 )) (( segid " A" and resid 150 and name HB2 )) 4.700 2.800 1.300 peak 80 spectrum 1 weight 0.10000E+01 volume 0.15157E-02 ppm1 7.443 ppm2 2.366 CV 1 ASSI { 81} (( segid " A" and resid 145 and name HZ2 )) (( segid " A" and resid 150 and name HB1 )) 3.000 1.100 1.100 peak 81 spectrum 1 weight 0.10000E+01 volume 0.29800E-02 ppm1 7.446 ppm2 2.213 CV 1 ASSI { 82} ( segid " A" and resid 279 and name HE% ) (( segid " A" and resid 274 and name HB1 )) 2.900 1.000 1.000 peak 82 spectrum 1 weight 0.10000E+01 volume 0.64236E-02 ppm1 6.770 ppm2 2.095 CV 1 ASSI { 83} ( segid " A" and resid 273 and name HE% ) (( segid " A" and resid 275 and name HB2 )) 2.900 1.000 1.000 peak 83 spectrum 1 weight 0.10000E+01 volume 0.28847E-02 ppm1 7.252 ppm2 2.015 CV 1 OR { 83} ( segid " A" and resid 135 and name HD% ) (( segid " A" and resid 134 and name HB2 )) ASSI { 84} ( segid " A" and resid 273 and name HD% ) (( segid " A" and resid 275 and name HB2 )) 2.400 2.400 3.600 peak 84 spectrum 1 weight 0.10000E+01 volume 0.44920E-02 ppm1 7.101 ppm2 2.000 CV 1 ASSI { 85} ( segid " A" and resid 257 and name HE% ) (( segid " A" and resid 235 and name HG12)) 3.100 1.200 1.200 peak 85 spectrum 1 weight 0.10000E+01 volume 0.15816E-02 ppm1 6.659 ppm2 1.958 CV 1 ASSI { 86} ( segid " A" and resid 115 and name HD% ) (( segid " A" and resid 184 and name HB2 )) 3.800 1.800 1.800 peak 86 spectrum 1 weight 0.10000E+01 volume 0.15761E-02 ppm1 6.390 ppm2 1.731 CV 1 ASSI { 87} ( segid " A" and resid 115 and name HE% ) (( segid " A" and resid 184 and name HB2 )) 3.200 1.300 1.300 peak 87 spectrum 1 weight 0.10000E+01 volume 0.31541E-02 ppm1 6.230 ppm2 1.735 CV 1 ASSI { 88} ( segid " A" and resid 115 and name HE% ) (( segid " A" and resid 184 and name HB1 )) 3.300 1.400 1.400 peak 88 spectrum 1 weight 0.10000E+01 volume 0.20911E-02 ppm1 6.231 ppm2 1.584 CV 1 ASSI { 89} ( segid " A" and resid 254 and name HD% ) ( segid " A" and resid 285 and name HB% ) 2.900 2.900 3.100 peak 89 spectrum 1 weight 0.10000E+01 volume 0.37845E-02 ppm1 7.267 ppm2 1.511 CV 1 ASSI { 90} ( segid " A" and resid 135 and name HD% ) (( segid " A" and resid 168 and name HB1 )) 3.200 3.200 2.800 peak 90 spectrum 1 weight 0.10000E+01 volume 0.46001E-02 ppm1 7.256 ppm2 1.528 CV 1 OR { 90} ( segid " A" and resid 135 and name HD% ) (( segid " A" and resid 281 and name HG1 )) ASSI { 92} ( segid " A" and resid 115 and name HE% ) (( segid " A" and resid 184 and name HG1 )) 3.700 1.700 1.700 peak 92 spectrum 1 weight 0.10000E+01 volume 0.17796E-02 ppm1 6.225 ppm2 1.446 CV 1 ASSI { 93} ( segid " A" and resid 257 and name HE% ) ( segid " A" and resid 266 and name HB% ) 3.100 1.200 1.200 peak 93 spectrum 1 weight 0.10000E+01 volume 0.30496E-02 ppm1 6.669 ppm2 1.336 CV 1 ASSI { 94} ( segid " A" and resid 257 and name HD% ) ( segid " A" and resid 266 and name HB% ) 3.900 1.900 1.900 peak 94 spectrum 1 weight 0.10000E+01 volume 0.20508E-02 ppm1 6.956 ppm2 1.321 CV 1 ASSI { 95} ( segid " A" and resid 254 and name HD% ) ( segid " A" and resid 239 and name HG2%) 2.900 2.900 3.100 peak 95 spectrum 1 weight 0.10000E+01 volume 0.15523E-02 ppm1 7.262 ppm2 1.201 CV 1 ASSI { 96} ( segid " A" and resid 273 and name HE% ) ( segid " A" and resid 275 and name HD1%) 2.500 0.800 0.800 peak 96 spectrum 1 weight 0.10000E+01 volume 0.10468E-01 ppm1 7.249 ppm2 1.067 CV 1 OR { 96} ( segid " A" and resid 273 and name HE% ) ( segid " A" and resid 228 and name HG1%) ASSI { 97} ( segid " A" and resid 254 and name HD% ) (( segid " A" and resid 255 and name HG11)) 4.000 2.000 2.000 peak 97 spectrum 1 weight 0.10000E+01 volume 0.14918E-02 ppm1 7.269 ppm2 1.022 CV 1 OR { 97} ( segid " A" and resid 254 and name HD% ) ( segid " A" and resid 267 and name HG2%) ASSI { 98} ( segid " A" and resid 257 and name HE% ) ( segid " A" and resid 267 and name HG2%) 4.000 2.000 2.000 peak 98 spectrum 1 weight 0.10000E+01 volume 0.20288E-02 ppm1 6.671 ppm2 1.024 CV 1 OR { 98} ( segid " A" and resid 257 and name HE% ) ( segid " A" and resid 282 and name HG2%) OR { 98} ( segid " A" and resid 257 and name HE% ) ( segid " A" and resid 228 and name HG1%) ASSI { 99} ( segid " A" and resid 257 and name HD% ) ( segid " A" and resid 211 and name HG2%) 3.700 1.700 1.700 peak 99 spectrum 1 weight 0.10000E+01 volume 0.28260E-02 ppm1 6.955 ppm2 0.992 CV 1 OR { 99} ( segid " A" and resid 257 and name HD% ) ( segid " A" and resid 267 and name HG2%) ASSI { 100} ( segid " A" and resid 115 and name HD% ) ( segid " A" and resid 185 and name HG1%) 4.100 2.100 1.900 peak 100 spectrum 1 weight 0.10000E+01 volume 0.16238E-02 ppm1 6.389 ppm2 0.983 CV 1 OR { 100} ( segid " A" and resid 115 and name HD% ) ( segid " A" and resid 185 and name HG2%) ASSI { 102} ( segid " A" and resid 254 and name HD% ) ( segid " A" and resid 241 and name HB% ) 4.000 2.000 2.000 peak 102 spectrum 1 weight 0.10000E+01 volume 0.17484E-02 ppm1 7.269 ppm2 0.754 CV 1 OR { 102} ( segid " A" and resid 254 and name HD% ) (( segid " A" and resid 164 and name HB1 )) OR { 102} ( segid " A" and resid 254 and name HD% ) (( segid " A" and resid 164 and name HB2 )) ASSI { 103} ( segid " A" and resid 257 and name HE% ) ( segid " A" and resid 211 and name HD1%) 2.600 0.800 0.800 peak 103 spectrum 1 weight 0.10000E+01 volume 0.47614E-02 ppm1 6.663 ppm2 0.737 CV 1 ASSI { 104} ( segid " A" and resid 273 and name HE% ) ( segid " A" and resid 228 and name HG2%) 3.000 1.100 1.100 peak 104 spectrum 1 weight 0.10000E+01 volume 0.54688E-02 ppm1 7.250 ppm2 0.651 CV 1 ASSI { 105} ( segid " A" and resid 273 and name HD% ) ( segid " A" and resid 270 and name HE% ) 2.900 1.000 1.000 peak 105 spectrum 1 weight 0.10000E+01 volume 0.57785E-02 ppm1 7.102 ppm2 0.617 CV 1 ASSI { 106} ( segid " A" and resid 115 and name HD% ) ( segid " A" and resid 116 and name HG1%) 4.300 2.300 1.700 peak 106 spectrum 1 weight 0.10000E+01 volume 0.10886E-02 ppm1 6.381 ppm2 0.273 CV 1 ASSI { 107} ( segid " A" and resid 257 and name HD% ) ( segid " A" and resid 255 and name HG2%) 3.100 1.200 1.200 peak 107 spectrum 1 weight 0.10000E+01 volume 0.23624E-02 ppm1 6.951 ppm2 0.205 CV 1 ASSI { 108} ( segid " A" and resid 257 and name HE% ) (( segid " A" and resid 235 and name HG11)) 3.300 3.300 2.700 peak 108 spectrum 1 weight 0.10000E+01 volume 0.21131E-02 ppm1 6.665 ppm2 0.191 CV 1 ASSI { 109} (( segid " A" and resid 249 and name HD2 )) ( segid " A" and resid 240 and name HD1%) 3.100 1.200 1.200 peak 109 spectrum 1 weight 0.10000E+01 volume 0.35188E-02 ppm1 7.068 ppm2 -0.052 CV 1 ASSI { 110} ( segid " A" and resid 273 and name HD% ) (( segid " A" and resid 273 and name HB1 )) 2.300 0.700 0.700 peak 110 spectrum 1 weight 0.10000E+01 volume 0.10173E-01 ppm1 7.100 ppm2 3.151 CV 1 ASSI { 113} ( segid " A" and resid 273 and name HE% ) ( segid " A" and resid 273 and name HD% ) 2.000 0.500 0.500 peak 113 spectrum 1 weight 0.10000E+01 volume 0.31449E-01 ppm1 7.249 ppm2 7.101 CV 1 ASSI { 114} ( segid " A" and resid 229 and name HD% ) (( segid " A" and resid 257 and name HH )) 2.900 1.000 1.000 peak 114 spectrum 1 weight 0.10000E+01 volume 0.40448E-02 ppm1 7.775 ppm2 8.789 CV 1 ASSI { 115} ( segid " A" and resid 229 and name HD% ) (( segid " A" and resid 229 and name HN )) 2.300 0.700 0.700 peak 115 spectrum 1 weight 0.10000E+01 volume 0.55421E-02 ppm1 7.775 ppm2 8.268 CV 1 ASSI { 116} ( segid " A" and resid 229 and name HD% ) ( segid " A" and resid 232 and name HE% ) 4.400 2.400 1.600 peak 116 spectrum 1 weight 0.10000E+01 volume 0.16549E-02 ppm1 7.776 ppm2 7.366 CV 1 ASSI { 118} ( segid " A" and resid 229 and name HD% ) ( segid " A" and resid 229 and name HE% ) 2.100 0.500 0.500 peak 118 spectrum 1 weight 0.10000E+01 volume 0.13577E-01 ppm1 7.776 ppm2 6.822 CV 1 ASSI { 119} ( segid " A" and resid 229 and name HD% ) (( segid " A" and resid 229 and name HA )) 3.000 1.100 1.100 peak 119 spectrum 1 weight 0.10000E+01 volume 0.33722E-02 ppm1 7.774 ppm2 4.411 CV 1 ASSI { 120} ( segid " A" and resid 229 and name HD% ) (( segid " A" and resid 225 and name HA )) 3.200 1.300 1.300 peak 120 spectrum 1 weight 0.10000E+01 volume 0.23257E-02 ppm1 7.778 ppm2 3.938 CV 1 OR { 120} ( segid " A" and resid 229 and name HD% ) (( segid " A" and resid 228 and name HA )) ASSI { 121} ( segid " A" and resid 229 and name HD% ) (( segid " A" and resid 229 and name HB1 )) 2.300 0.700 0.700 peak 121 spectrum 1 weight 0.10000E+01 volume 0.57400E-02 ppm1 7.776 ppm2 3.524 CV 1 ASSI { 122} ( segid " A" and resid 229 and name HD% ) (( segid " A" and resid 229 and name HB2 )) 2.700 0.900 0.900 peak 122 spectrum 1 weight 0.10000E+01 volume 0.54395E-02 ppm1 7.776 ppm2 2.826 CV 1 ASSI { 124} ( segid " A" and resid 229 and name HD% ) (( segid " A" and resid 228 and name HB )) 2.900 1.000 1.000 peak 124 spectrum 1 weight 0.10000E+01 volume 0.34033E-02 ppm1 7.777 ppm2 2.085 CV 1 ASSI { 125} ( segid " A" and resid 229 and name HD% ) ( segid " A" and resid 266 and name HB% ) 2.600 0.800 0.800 peak 125 spectrum 1 weight 0.10000E+01 volume 0.54248E-02 ppm1 7.777 ppm2 1.333 CV 1 ASSI { 126} ( segid " A" and resid 229 and name HD% ) ( segid " A" and resid 228 and name HG1%) 3.400 1.400 1.400 peak 126 spectrum 1 weight 0.10000E+01 volume 0.66307E-02 ppm1 7.776 ppm2 1.046 CV 1 OR { 126} ( segid " A" and resid 229 and name HD% ) ( segid " A" and resid 280 and name HD1%) OR { 126} ( segid " A" and resid 229 and name HD% ) (( segid " A" and resid 211 and name HG11)) OR { 126} ( segid " A" and resid 229 and name HD% ) ( segid " A" and resid 282 and name HG2%) ASSI { 127} ( segid " A" and resid 229 and name HD% ) ( segid " A" and resid 225 and name HG2%) 2.500 2.500 3.500 peak 127 spectrum 1 weight 0.10000E+01 volume 0.11515E-01 ppm1 7.775 ppm2 0.655 CV 1 OR { 127} ( segid " A" and resid 229 and name HD% ) ( segid " A" and resid 228 and name HG2%) ASSI { 128} ( segid " A" and resid 229 and name HD% ) ( segid " A" and resid 213 and name HG2%) 4.300 2.300 1.700 peak 128 spectrum 1 weight 0.10000E+01 volume 0.20581E-02 ppm1 7.773 ppm2 0.413 CV 1 ASSI { 129} ( segid " A" and resid 229 and name HD% ) ( segid " A" and resid 255 and name HD1%) 2.800 1.000 1.000 peak 129 spectrum 1 weight 0.10000E+01 volume 0.38505E-02 ppm1 7.778 ppm2 -0.134 CV 1 ASSI { 131} ( segid " A" and resid 229 and name HE% ) (( segid " A" and resid 229 and name HN )) 4.800 2.900 1.200 peak 131 spectrum 1 weight 0.10000E+01 volume 0.10556E-02 ppm1 6.812 ppm2 8.264 CV 1 ASSI { 132} ( segid " A" and resid 229 and name HE% ) (( segid " A" and resid 225 and name HA )) 4.000 2.000 2.000 peak 132 spectrum 1 weight 0.10000E+01 volume 0.10593E-02 ppm1 6.812 ppm2 3.948 CV 1 ASSI { 133} ( segid " A" and resid 229 and name HE% ) (( segid " A" and resid 229 and name HB1 )) 4.200 2.200 1.800 peak 133 spectrum 1 weight 0.10000E+01 volume 0.14753E-02 ppm1 6.812 ppm2 3.541 CV 1 ASSI { 134} ( segid " A" and resid 229 and name HE% ) (( segid " A" and resid 270 and name HB1 )) 2.900 1.100 1.100 peak 134 spectrum 1 weight 0.10000E+01 volume 0.38670E-02 ppm1 6.811 ppm2 1.849 CV 1 OR { 134} ( segid " A" and resid 229 and name HE% ) (( segid " A" and resid 270 and name HG2 )) ASSI { 135} ( segid " A" and resid 229 and name HE% ) (( segid " A" and resid 270 and name HG1 )) 2.900 1.100 1.100 peak 135 spectrum 1 weight 0.10000E+01 volume 0.22854E-02 ppm1 6.814 ppm2 1.640 CV 1 ASSI { 136} ( segid " A" and resid 229 and name HE% ) ( segid " A" and resid 266 and name HB% ) 3.100 1.200 1.200 peak 136 spectrum 1 weight 0.10000E+01 volume 0.39660E-02 ppm1 6.814 ppm2 1.337 CV 1 OR { 136} ( segid " A" and resid 229 and name HE% ) (( segid " A" and resid 280 and name HB1 )) ASSI { 137} ( segid " A" and resid 229 and name HE% ) ( segid " A" and resid 280 and name HD1%) 2.300 0.700 0.700 peak 137 spectrum 1 weight 0.10000E+01 volume 0.12972E-01 ppm1 6.814 ppm2 1.044 CV 1 OR { 137} ( segid " A" and resid 229 and name HE% ) ( segid " A" and resid 282 and name HG2%) OR { 137} ( segid " A" and resid 229 and name HE% ) (( segid " A" and resid 211 and name HG11)) OR { 137} ( segid " A" and resid 229 and name HE% ) ( segid " A" and resid 228 and name HG1%) ASSI { 138} ( segid " A" and resid 229 and name HE% ) ( segid " A" and resid 225 and name HG2%) 2.400 2.400 3.600 peak 138 spectrum 1 weight 0.10000E+01 volume 0.80053E-02 ppm1 6.813 ppm2 0.646 CV 1 OR { 138} ( segid " A" and resid 229 and name HE% ) ( segid " A" and resid 225 and name HD1%) ASSI { 139} ( segid " A" and resid 229 and name HE% ) ( segid " A" and resid 213 and name HG2%) 3.600 1.600 1.600 peak 139 spectrum 1 weight 0.10000E+01 volume 0.40173E-02 ppm1 6.812 ppm2 0.408 CV 1 ASSI { 140} ( segid " A" and resid 132 and name HD% ) (( segid " A" and resid 160 and name HH )) 2.600 0.900 0.900 peak 140 spectrum 1 weight 0.10000E+01 volume 0.34712E-02 ppm1 7.960 ppm2 9.400 CV 1 ASSI { 141} ( segid " A" and resid 132 and name HD% ) (( segid " A" and resid 133 and name HN )) 4.800 2.900 1.200 peak 141 spectrum 1 weight 0.10000E+01 volume 0.11344E-02 ppm1 7.958 ppm2 8.670 CV 1 OR { 141} ( segid " A" and resid 132 and name HD% ) (( segid " A" and resid 159 and name HN )) ASSI { 142} ( segid " A" and resid 132 and name HD% ) ( segid " A" and resid 135 and name HD% ) 4.200 2.200 1.800 peak 142 spectrum 1 weight 0.10000E+01 volume 0.13470E-02 ppm1 7.964 ppm2 7.269 CV 1 ASSI { 143} ( segid " A" and resid 132 and name HD% ) ( segid " A" and resid 132 and name HE% ) 2.100 0.600 0.600 peak 143 spectrum 1 weight 0.10000E+01 volume 0.15659E-01 ppm1 7.960 ppm2 6.881 CV 1 ASSI { 144} ( segid " A" and resid 132 and name HD% ) (( segid " A" and resid 132 and name HA )) 3.100 1.200 1.200 peak 144 spectrum 1 weight 0.10000E+01 volume 0.31871E-02 ppm1 7.960 ppm2 4.744 CV 1 ASSI { 146} ( segid " A" and resid 132 and name HD% ) (( segid " A" and resid 128 and name HA )) 2.800 2.800 3.200 peak 146 spectrum 1 weight 0.10000E+01 volume 0.39293E-02 ppm1 7.960 ppm2 3.717 CV 1 ASSI { 147} ( segid " A" and resid 132 and name HD% ) (( segid " A" and resid 132 and name HB2 )) 2.500 0.800 0.800 peak 147 spectrum 1 weight 0.10000E+01 volume 0.61817E-02 ppm1 7.959 ppm2 3.536 CV 1 ASSI { 148} ( segid " A" and resid 132 and name HD% ) (( segid " A" and resid 132 and name HB1 )) 2.400 0.700 0.700 peak 148 spectrum 1 weight 0.10000E+01 volume 0.52984E-02 ppm1 7.960 ppm2 2.852 CV 1 ASSI { 149} ( segid " A" and resid 132 and name HD% ) ( segid " A" and resid 173 and name HE% ) 2.500 0.800 0.800 peak 149 spectrum 1 weight 0.10000E+01 volume 0.10380E-01 ppm1 7.960 ppm2 1.412 CV 1 OR { 149} ( segid " A" and resid 132 and name HD% ) (( segid " A" and resid 158 and name HB )) ASSI { 150} ( segid " A" and resid 132 and name HD% ) ( segid " A" and resid 183 and name HD1%) 3.800 1.800 1.800 peak 150 spectrum 1 weight 0.10000E+01 volume 0.45341E-02 ppm1 7.957 ppm2 0.855 CV 1 OR { 150} ( segid " A" and resid 132 and name HD% ) (( segid " A" and resid 141 and name HG11)) ASSI { 151} ( segid " A" and resid 132 and name HD% ) ( segid " A" and resid 128 and name HG2%) 2.500 0.800 0.800 peak 151 spectrum 1 weight 0.10000E+01 volume 0.67352E-02 ppm1 7.960 ppm2 0.542 CV 1 ASSI { 152} ( segid " A" and resid 132 and name HD% ) ( segid " A" and resid 116 and name HG1%) 4.000 2.000 2.000 peak 152 spectrum 1 weight 0.10000E+01 volume 0.21076E-02 ppm1 7.963 ppm2 0.278 CV 1 ASSI { 153} ( segid " A" and resid 132 and name HD% ) ( segid " A" and resid 158 and name HG1%) 2.800 1.000 1.000 peak 153 spectrum 1 weight 0.10000E+01 volume 0.28480E-02 ppm1 7.961 ppm2 0.125 CV 1 ASSI { 155} ( segid " A" and resid 132 and name HE% ) (( segid " A" and resid 173 and name HB2 )) 4.400 2.400 1.600 peak 155 spectrum 1 weight 0.10000E+01 volume 0.14222E-02 ppm1 6.870 ppm2 2.107 CV 1 ASSI { 156} ( segid " A" and resid 132 and name HE% ) (( segid " A" and resid 173 and name HB1 )) 4.100 2.100 1.900 peak 156 spectrum 1 weight 0.10000E+01 volume 0.18785E-02 ppm1 6.872 ppm2 1.950 CV 1 ASSI { 157} ( segid " A" and resid 132 and name HE% ) ( segid " A" and resid 173 and name HE% ) 2.900 1.000 1.000 peak 157 spectrum 1 weight 0.10000E+01 volume 0.45561E-02 ppm1 6.875 ppm2 1.385 CV 1 ASSI { 158} ( segid " A" and resid 132 and name HE% ) ( segid " A" and resid 185 and name HG1%) 2.800 1.000 1.000 peak 158 spectrum 1 weight 0.10000E+01 volume 0.62349E-02 ppm1 6.873 ppm2 0.972 CV 1 OR { 158} ( segid " A" and resid 132 and name HE% ) ( segid " A" and resid 185 and name HG2%) ASSI { 159} ( segid " A" and resid 132 and name HE% ) ( segid " A" and resid 114 and name HG1%) 2.700 0.900 0.900 peak 159 spectrum 1 weight 0.10000E+01 volume 0.57474E-02 ppm1 6.873 ppm2 0.893 CV 1 OR { 159} ( segid " A" and resid 132 and name HE% ) ( segid " A" and resid 183 and name HD1%) ASSI { 160} ( segid " A" and resid 132 and name HE% ) ( segid " A" and resid 128 and name HG2%) 3.100 3.100 2.900 peak 160 spectrum 1 weight 0.10000E+01 volume 0.21883E-02 ppm1 6.872 ppm2 0.520 CV 1 OR { 160} ( segid " A" and resid 132 and name HE% ) ( segid " A" and resid 128 and name HD1%) ASSI { 161} ( segid " A" and resid 132 and name HE% ) ( segid " A" and resid 116 and name HG1%) 3.200 1.300 1.300 peak 161 spectrum 1 weight 0.10000E+01 volume 0.23074E-02 ppm1 6.875 ppm2 0.286 CV 1 ASSI { 162} ( segid " A" and resid 252 and name HD% ) ( segid " A" and resid 240 and name HD2%) 4.800 2.900 1.200 peak 162 spectrum 1 weight 0.10000E+01 volume 0.11436E-02 ppm1 6.802 ppm2 0.124 CV 1 ASSI { 163} ( segid " A" and resid 252 and name HD% ) ( segid " A" and resid 216 and name HG2%) 4.600 2.700 1.400 peak 163 spectrum 1 weight 0.10000E+01 volume 0.13122E-02 ppm1 6.809 ppm2 0.356 CV 1 ASSI { 164} ( segid " A" and resid 252 and name HD% ) ( segid " A" and resid 241 and name HB% ) 2.900 1.000 1.000 peak 164 spectrum 1 weight 0.10000E+01 volume 0.54541E-02 ppm1 6.808 ppm2 0.761 CV 1 ASSI { 165} ( segid " A" and resid 252 and name HD% ) ( segid " A" and resid 162 and name HG1%) 3.700 1.700 1.700 peak 165 spectrum 1 weight 0.10000E+01 volume 0.22249E-02 ppm1 6.810 ppm2 1.045 CV 1 ASSI { 168} ( segid " A" and resid 252 and name HD% ) (( segid " A" and resid 250 and name HB2 )) 3.300 1.400 1.400 peak 168 spectrum 1 weight 0.10000E+01 volume 0.23037E-02 ppm1 6.808 ppm2 2.449 CV 1 ASSI { 169} ( segid " A" and resid 252 and name HD% ) (( segid " A" and resid 252 and name HB1 )) 2.500 0.800 0.800 peak 169 spectrum 1 weight 0.10000E+01 volume 0.68195E-02 ppm1 6.804 ppm2 2.766 CV 1 ASSI { 170} ( segid " A" and resid 252 and name HD% ) (( segid " A" and resid 252 and name HB2 )) 2.600 0.900 0.900 peak 170 spectrum 1 weight 0.10000E+01 volume 0.48805E-02 ppm1 6.807 ppm2 3.028 CV 1 ASSI { 171} ( segid " A" and resid 252 and name HD% ) (( segid " A" and resid 137 and name HD1 )) 2.800 1.000 1.000 peak 171 spectrum 1 weight 0.10000E+01 volume 0.32164E-02 ppm1 6.810 ppm2 3.491 CV 1 ASSI { 172} ( segid " A" and resid 252 and name HD% ) (( segid " A" and resid 253 and name HA2 )) 3.000 3.000 3.000 peak 172 spectrum 1 weight 0.10000E+01 volume 0.27491E-02 ppm1 6.807 ppm2 4.048 CV 1 OR { 172} ( segid " A" and resid 252 and name HD% ) (( segid " A" and resid 253 and name HA1 )) ASSI { 174} ( segid " A" and resid 252 and name HD% ) (( segid " A" and resid 214 and name HA )) 4.200 2.200 1.800 peak 174 spectrum 1 weight 0.10000E+01 volume 0.23807E-02 ppm1 6.807 ppm2 5.093 CV 1 ASSI { 175} ( segid " A" and resid 252 and name HD% ) (( segid " A" and resid 252 and name HA )) 4.000 2.000 2.000 peak 175 spectrum 1 weight 0.10000E+01 volume 0.19427E-02 ppm1 6.812 ppm2 5.618 CV 1 ASSI { 176} ( segid " A" and resid 252 and name HD% ) (( segid " A" and resid 165 and name HN )) 2.400 2.400 3.600 peak 176 spectrum 1 weight 0.10000E+01 volume 0.46514E-02 ppm1 6.806 ppm2 6.313 CV 1 ASSI { 177} ( segid " A" and resid 252 and name HD% ) ( segid " A" and resid 212 and name HE% ) 2.800 2.800 3.200 peak 177 spectrum 1 weight 0.10000E+01 volume 0.32677E-02 ppm1 6.808 ppm2 6.546 CV 1 ASSI { 178} ( segid " A" and resid 252 and name HD% ) (( segid " A" and resid 252 and name HN )) 2.800 1.000 1.000 peak 178 spectrum 1 weight 0.10000E+01 volume 0.32311E-02 ppm1 6.802 ppm2 7.126 CV 1 ASSI { 179} ( segid " A" and resid 252 and name HD% ) (( segid " A" and resid 253 and name HN )) 3.400 1.500 1.500 peak 179 spectrum 1 weight 0.10000E+01 volume 0.22964E-02 ppm1 6.810 ppm2 8.806 CV 1 ASSI { 180} ( segid " A" and resid 252 and name HD% ) (( segid " A" and resid 212 and name HH )) 3.800 1.800 1.800 peak 180 spectrum 1 weight 0.10000E+01 volume 0.19390E-02 ppm1 6.806 ppm2 9.066 CV 1 ASSI { 181} ( segid " A" and resid 132 and name HD% ) ( segid " A" and resid 158 and name HG2%) 3.300 1.300 1.300 peak 181 spectrum 1 weight 0.10000E+01 volume 0.24760E-02 ppm1 7.961 ppm2 0.037 CV 1 ASSI { 182} ( segid " A" and resid 135 and name HD% ) (( segid " A" and resid 168 and name HB2 )) 3.900 3.900 2.100 peak 182 spectrum 1 weight 0.10000E+01 volume 0.44077E-02 ppm1 7.263 ppm2 1.851 CV 1 ASSI { 183} ( segid " A" and resid 135 and name HD% ) (( segid " A" and resid 169 and name HA )) 3.400 1.400 1.400 peak 183 spectrum 1 weight 0.10000E+01 volume 0.13690E-02 ppm1 7.267 ppm2 2.370 CV 1 ASSI { 184} ( segid " A" and resid 135 and name HD% ) (( segid " A" and resid 135 and name HB2 )) 2.600 0.900 0.900 peak 184 spectrum 1 weight 0.10000E+01 volume 0.40961E-02 ppm1 7.266 ppm2 2.617 CV 1 ASSI { 185} ( segid " A" and resid 135 and name HD% ) (( segid " A" and resid 135 and name HB1 )) 2.700 0.900 0.900 peak 185 spectrum 1 weight 0.10000E+01 volume 0.39092E-02 ppm1 7.263 ppm2 3.469 CV 1 ASSI { 186} ( segid " A" and resid 135 and name HD% ) (( segid " A" and resid 165 and name HA )) 4.400 2.400 1.600 peak 186 spectrum 1 weight 0.10000E+01 volume 0.17044E-02 ppm1 7.265 ppm2 3.649 CV 1 OR { 186} ( segid " A" and resid 135 and name HD% ) (( segid " A" and resid 166 and name HA )) ASSI { 187} ( segid " A" and resid 135 and name HD% ) (( segid " A" and resid 135 and name HA )) 3.000 1.100 1.100 peak 187 spectrum 1 weight 0.10000E+01 volume 0.35866E-02 ppm1 7.263 ppm2 3.895 CV 1 ASSI { 188} ( segid " A" and resid 135 and name HD% ) (( segid " A" and resid 132 and name HA )) 2.700 0.900 0.900 peak 188 spectrum 1 weight 0.10000E+01 volume 0.37992E-02 ppm1 7.261 ppm2 4.743 CV 1 ASSI { 189} ( segid " A" and resid 135 and name HD% ) (( segid " A" and resid 135 and name HN )) 2.700 0.900 0.900 peak 189 spectrum 1 weight 0.10000E+01 volume 0.31614E-02 ppm1 7.265 ppm2 6.539 CV 1 ASSI { 190} ( segid " A" and resid 135 and name HD% ) ( segid " A" and resid 132 and name HD% ) 4.000 2.000 2.000 peak 190 spectrum 1 weight 0.10000E+01 volume 0.19610E-02 ppm1 7.268 ppm2 7.968 CV 1 OR { 190} ( segid " A" and resid 135 and name HD% ) (( segid " A" and resid 170 and name HN )) ASSI { 191} ( segid " A" and resid 135 and name HD% ) (( segid " A" and resid 160 and name HH )) 2.800 1.000 1.000 peak 191 spectrum 1 weight 0.10000E+01 volume 0.30056E-02 ppm1 7.264 ppm2 9.392 CV 1 ASSI { 192} ( segid " A" and resid 155 and name HD% ) (( segid " A" and resid 156 and name HN )) 3.700 1.700 1.700 peak 192 spectrum 1 weight 0.10000E+01 volume 0.22487E-02 ppm1 6.811 ppm2 9.097 CV 1 ASSI { 193} ( segid " A" and resid 160 and name HD% ) (( segid " A" and resid 160 and name HN )) 3.400 1.500 1.500 peak 193 spectrum 1 weight 0.10000E+01 volume 0.14478E-02 ppm1 6.803 ppm2 8.930 CV 1 ASSI { 194} ( segid " A" and resid 155 and name HD% ) ( segid " A" and resid 155 and name HE% ) 2.400 0.700 0.700 peak 194 spectrum 1 weight 0.10000E+01 volume 0.14762E-01 ppm1 6.813 ppm2 7.368 CV 1 ASSI { 195} ( segid " A" and resid 155 and name HD% ) (( segid " A" and resid 155 and name HA )) 3.900 1.900 1.900 peak 195 spectrum 1 weight 0.10000E+01 volume 0.19024E-02 ppm1 6.813 ppm2 5.506 CV 1 ASSI { 196} ( segid " A" and resid 160 and name HD% ) (( segid " A" and resid 160 and name HB1 )) 3.000 1.100 1.100 peak 196 spectrum 1 weight 0.10000E+01 volume 0.31651E-02 ppm1 6.803 ppm2 3.132 CV 1 ASSI { 197} ( segid " A" and resid 155 and name HD% ) (( segid " A" and resid 155 and name HB1 )) 2.700 0.900 0.900 peak 197 spectrum 1 weight 0.10000E+01 volume 0.64035E-02 ppm1 6.813 ppm2 2.956 CV 1 ASSI { 198} ( segid " A" and resid 121 and name HD% ) (( segid " A" and resid 121 and name HB2 )) 2.500 0.800 0.800 peak 198 spectrum 1 weight 0.10000E+01 volume 0.96291E-02 ppm1 6.798 ppm2 2.789 CV 1 ASSI { 199} ( segid " A" and resid 160 and name HD% ) (( segid " A" and resid 161 and name HG1 )) 4.100 2.100 1.900 peak 199 spectrum 1 weight 0.10000E+01 volume 0.21443E-02 ppm1 6.808 ppm2 2.265 CV 1 OR { 199} ( segid " A" and resid 160 and name HD% ) (( segid " A" and resid 161 and name HG2 )) OR { 199} ( segid " A" and resid 160 and name HD% ) (( segid " A" and resid 137 and name HG1 )) ASSI { 200} ( segid " A" and resid 160 and name HD% ) ( segid " A" and resid 166 and name HB% ) 2.900 1.000 1.000 peak 200 spectrum 1 weight 0.10000E+01 volume 0.46001E-02 ppm1 6.803 ppm2 1.462 CV 1 ASSI { 201} ( segid " A" and resid 121 and name HD% ) (( segid " A" and resid 121 and name HA )) 3.700 1.700 1.700 peak 201 spectrum 1 weight 0.10000E+01 volume 0.46954E-02 ppm1 6.793 ppm2 3.657 CV 1 ASSI { 202} ( segid " A" and resid 121 and name HD% ) (( segid " A" and resid 122 and name HG2 )) 4.200 2.200 1.800 peak 202 spectrum 1 weight 0.10000E+01 volume 0.23037E-02 ppm1 6.790 ppm2 1.712 CV 1 ASSI { 203} ( segid " A" and resid 157 and name HD% ) (( segid " A" and resid 157 and name HN )) 3.400 1.400 1.400 peak 203 spectrum 1 weight 0.10000E+01 volume 0.16513E-02 ppm1 7.192 ppm2 8.444 CV 1 ASSI { 204} ( segid " A" and resid 157 and name HD% ) ( segid " A" and resid 157 and name HE% ) 2.100 0.500 0.500 peak 204 spectrum 1 weight 0.10000E+01 volume 0.26024E-01 ppm1 7.193 ppm2 7.362 CV 1 ASSI { 205} ( segid " A" and resid 157 and name HD% ) (( segid " A" and resid 157 and name HA )) 3.400 1.500 1.500 peak 205 spectrum 1 weight 0.10000E+01 volume 0.20196E-02 ppm1 7.187 ppm2 5.470 CV 1 ASSI { 206} ( segid " A" and resid 157 and name HD% ) (( segid " A" and resid 156 and name HA )) 3.600 3.600 2.400 peak 206 spectrum 1 weight 0.10000E+01 volume 0.10960E-02 ppm1 7.194 ppm2 4.755 CV 1 ASSI { 207} ( segid " A" and resid 157 and name HD% ) (( segid " A" and resid 115 and name HA )) 3.300 1.300 1.300 peak 207 spectrum 1 weight 0.10000E+01 volume 0.16751E-02 ppm1 7.191 ppm2 4.480 CV 1 ASSI { 208} ( segid " A" and resid 157 and name HD% ) (( segid " A" and resid 157 and name HB1 )) 2.900 1.000 1.000 peak 208 spectrum 1 weight 0.10000E+01 volume 0.36746E-02 ppm1 7.190 ppm2 2.903 CV 1 ASSI { 209} ( segid " A" and resid 157 and name HD% ) (( segid " A" and resid 157 and name HB2 )) 3.000 1.100 1.100 peak 209 spectrum 1 weight 0.10000E+01 volume 0.36746E-02 ppm1 7.191 ppm2 2.751 CV 1 ASSI { 210} ( segid " A" and resid 157 and name HD% ) (( segid " A" and resid 115 and name HB2 )) 3.500 3.500 2.500 peak 210 spectrum 1 weight 0.10000E+01 volume 0.20215E-02 ppm1 7.197 ppm2 2.400 CV 1 ASSI { 211} ( segid " A" and resid 157 and name HD% ) (( segid " A" and resid 113 and name HB2 )) 3.900 1.900 1.900 peak 211 spectrum 1 weight 0.10000E+01 volume 0.17008E-02 ppm1 7.190 ppm2 1.747 CV 1 OR { 211} ( segid " A" and resid 157 and name HD% ) (( segid " A" and resid 113 and name HG2 )) ASSI { 212} ( segid " A" and resid 160 and name HD% ) (( segid " A" and resid 160 and name HA )) 3.300 1.400 1.400 peak 212 spectrum 1 weight 0.10000E+01 volume 0.17594E-02 ppm1 6.804 ppm2 5.112 CV 1 ASSI { 213} (( segid " A" and resid 145 and name HE3 )) (( segid " A" and resid 145 and name HZ3 )) 2.800 0.900 0.900 peak 213 spectrum 1 weight 0.10000E+01 volume 0.74958E-02 ppm1 7.335 ppm2 7.094 CV 1 ASSI { 214} (( segid " A" and resid 145 and name HE3 )) (( segid " A" and resid 146 and name HN )) 4.400 2.400 1.600 peak 214 spectrum 1 weight 0.10000E+01 volume 0.11289E-02 ppm1 7.336 ppm2 8.264 CV 1 OR { 214} (( segid " A" and resid 145 and name HE3 )) (( segid " A" and resid 145 and name HN )) ASSI { 215} (( segid " A" and resid 145 and name HE3 )) (( segid " A" and resid 145 and name HA )) 3.100 1.200 1.200 peak 215 spectrum 1 weight 0.10000E+01 volume 0.36691E-02 ppm1 7.334 ppm2 4.603 CV 1 ASSI { 216} (( segid " A" and resid 145 and name HE3 )) (( segid " A" and resid 145 and name HB1 )) 3.500 1.500 1.500 peak 216 spectrum 1 weight 0.10000E+01 volume 0.36892E-02 ppm1 7.336 ppm2 3.039 CV 1 ASSI { 218} (( segid " A" and resid 145 and name HZ3 )) (( segid " A" and resid 145 and name HA )) 3.900 1.900 1.900 peak 218 spectrum 1 weight 0.10000E+01 volume 0.19408E-02 ppm1 7.084 ppm2 4.593 CV 1 OR { 218} (( segid " A" and resid 145 and name HZ3 )) (( segid " A" and resid 151 and name HA )) ASSI { 219} ( segid " A" and resid 115 and name HD% ) (( segid " A" and resid 117 and name HN )) 3.400 3.400 2.600 peak 219 spectrum 1 weight 0.10000E+01 volume 0.20105E-02 ppm1 6.382 ppm2 9.076 CV 1 OR { 219} ( segid " A" and resid 115 and name HD% ) (( segid " A" and resid 156 and name HN )) ASSI { 220} ( segid " A" and resid 155 and name HD% ) ( segid " A" and resid 115 and name HE% ) 3.400 3.400 2.600 peak 220 spectrum 1 weight 0.10000E+01 volume 0.27857E-02 ppm1 6.809 ppm2 6.252 CV 1 ASSI { 221} ( segid " A" and resid 232 and name HE% ) (( segid " A" and resid 257 and name HH )) 3.500 3.500 2.500 peak 221 spectrum 1 weight 0.10000E+01 volume 0.21681E-02 ppm1 7.370 ppm2 8.803 CV 1 OR { 221} ( segid " A" and resid 157 and name HE% ) (( segid " A" and resid 115 and name HN )) ASSI { 222} (( segid " A" and resid 217 and name HD2 )) (( segid " A" and resid 217 and name HB2 )) 3.000 1.100 1.100 peak 222 spectrum 1 weight 0.10000E+01 volume 0.27417E-02 ppm1 6.960 ppm2 3.084 CV 1 ASSI { 223} (( segid " A" and resid 217 and name HD2 )) (( segid " A" and resid 217 and name HB1 )) 3.900 1.900 1.900 peak 223 spectrum 1 weight 0.10000E+01 volume 0.21571E-02 ppm1 6.958 ppm2 2.842 CV 1 ASSI { 224} ( segid " A" and resid 120 and name HD% ) (( segid " A" and resid 120 and name HA )) 2.700 0.900 0.900 peak 224 spectrum 1 weight 0.10000E+01 volume 0.87768E-02 ppm1 7.092 ppm2 4.403 CV 1 ASSI { 225} ( segid " A" and resid 120 and name HD% ) (( segid " A" and resid 120 and name HB1 )) 2.600 0.900 0.900 peak 225 spectrum 1 weight 0.10000E+01 volume 0.69130E-02 ppm1 7.083 ppm2 2.754 CV 1 ASSI { 226} ( segid " A" and resid 120 and name HD% ) (( segid " A" and resid 122 and name HG1 )) 3.600 1.600 1.600 peak 226 spectrum 1 weight 0.10000E+01 volume 0.56961E-02 ppm1 7.085 ppm2 1.822 CV 1 OR { 226} ( segid " A" and resid 120 and name HD% ) (( segid " A" and resid 123 and name HG )) ASSI { 227} ( segid " A" and resid 120 and name HD% ) ( segid " A" and resid 120 and name HE% ) 2.100 0.500 0.500 peak 227 spectrum 1 weight 0.10000E+01 volume 0.28700E-01 ppm1 7.082 ppm2 6.850 CV 1 ASSI { 229} ( segid " A" and resid 120 and name HE% ) (( segid " A" and resid 120 and name HA )) 4.200 2.200 1.800 peak 229 spectrum 1 weight 0.10000E+01 volume 0.20141E-02 ppm1 6.848 ppm2 4.437 CV 1 ASSI { 231} ( segid " A" and resid 120 and name HE% ) (( segid " A" and resid 120 and name HB1 )) 4.400 2.500 1.600 peak 231 spectrum 1 weight 0.10000E+01 volume 0.22121E-02 ppm1 6.848 ppm2 2.765 CV 1 ASSI { 235} ( segid " A" and resid 120 and name HE% ) (( segid " A" and resid 122 and name HB1 )) 3.500 1.500 1.500 peak 235 spectrum 1 weight 0.10000E+01 volume 0.63009E-02 ppm1 6.848 ppm2 1.564 CV 1 ASSI { 237} ( segid " A" and resid 121 and name HD% ) (( segid " A" and resid 120 and name HA )) 4.300 2.300 1.700 peak 237 spectrum 1 weight 0.10000E+01 volume 0.17008E-02 ppm1 6.797 ppm2 4.419 CV 1 ASSI { 238} ( segid " A" and resid 160 and name HD% ) (( segid " A" and resid 112 and name HA )) 3.400 1.400 1.400 peak 238 spectrum 1 weight 0.10000E+01 volume 0.29800E-02 ppm1 6.795 ppm2 4.133 CV 1 OR { 238} ( segid " A" and resid 121 and name HD% ) (( segid " A" and resid 122 and name HA )) OR { 238} ( segid " A" and resid 160 and name HD% ) (( segid " A" and resid 163 and name HA )) ASSI { 239} ( segid " A" and resid 121 and name HD% ) (( segid " A" and resid 121 and name HB1 )) 2.700 0.900 0.900 peak 239 spectrum 1 weight 0.10000E+01 volume 0.65996E-02 ppm1 6.793 ppm2 2.645 CV 1 ASSI { 241} ( segid " A" and resid 160 and name HD% ) ( segid " A" and resid 165 and name HB% ) 3.100 1.200 1.200 peak 241 spectrum 1 weight 0.10000E+01 volume 0.25640E-02 ppm1 6.797 ppm2 0.669 CV 1 ASSI { 242} ( segid " A" and resid 160 and name HD% ) ( segid " A" and resid 114 and name HG1%) 3.600 3.600 2.400 peak 242 spectrum 1 weight 0.10000E+01 volume 0.23514E-02 ppm1 6.798 ppm2 0.895 CV 1 OR { 242} ( segid " A" and resid 160 and name HD% ) ( segid " A" and resid 114 and name HG2%) ASSI { 245} ( segid " A" and resid 135 and name HE% ) (( segid " A" and resid 132 and name HA )) 3.100 1.200 1.200 peak 245 spectrum 1 weight 0.10000E+01 volume 0.23220E-02 ppm1 7.366 ppm2 4.740 CV 1 ASSI { 246} ( segid " A" and resid 232 and name HE% ) (( segid " A" and resid 232 and name HA )) 2.300 2.300 3.700 peak 246 spectrum 1 weight 0.10000E+01 volume 0.72245E-02 ppm1 7.370 ppm2 4.402 CV 1 ASSI { 247} ( segid " A" and resid 135 and name HE% ) (( segid " A" and resid 134 and name HA )) 4.500 2.500 1.500 peak 247 spectrum 1 weight 0.10000E+01 volume 0.17356E-02 ppm1 7.373 ppm2 4.036 CV 1 ASSI { 248} ( segid " A" and resid 232 and name HE% ) (( segid " A" and resid 269 and name HB2 )) 3.600 1.600 1.600 peak 248 spectrum 1 weight 0.10000E+01 volume 0.49245E-02 ppm1 7.370 ppm2 3.484 CV 1 OR { 248} ( segid " A" and resid 232 and name HE% ) (( segid " A" and resid 232 and name HB1 )) OR { 248} ( segid " A" and resid 135 and name HE% ) (( segid " A" and resid 135 and name HB1 )) ASSI { 249} ( segid " A" and resid 157 and name HE% ) (( segid " A" and resid 157 and name HB2 )) 3.600 1.700 1.700 peak 249 spectrum 1 weight 0.10000E+01 volume 0.57639E-02 ppm1 7.371 ppm2 2.735 CV 1 ASSI { 250} ( segid " A" and resid 135 and name HE% ) (( segid " A" and resid 172 and name HB1 )) 3.400 3.400 2.600 peak 250 spectrum 1 weight 0.10000E+01 volume 0.52104E-02 ppm1 7.366 ppm2 2.345 CV 1 ASSI { 251} ( segid " A" and resid 135 and name HE% ) (( segid " A" and resid 168 and name HG )) 3.200 1.300 1.300 peak 251 spectrum 1 weight 0.10000E+01 volume 0.73290E-02 ppm1 7.367 ppm2 1.871 CV 1 OR { 251} ( segid " A" and resid 208 and name HD% ) (( segid " A" and resid 288 and name HB2 )) OR { 251} ( segid " A" and resid 208 and name HE% ) (( segid " A" and resid 288 and name HB2 )) OR { 251} ( segid " A" and resid 232 and name HE% ) (( segid " A" and resid 270 and name HB1 )) ASSI { 252} ( segid " A" and resid 135 and name HE% ) ( segid " A" and resid 173 and name HE% ) 2.900 1.100 1.100 peak 252 spectrum 1 weight 0.10000E+01 volume 0.47907E-02 ppm1 7.365 ppm2 1.389 CV 1 ASSI { 253} ( segid " A" and resid 232 and name HE% ) ( segid " A" and resid 231 and name HB% ) 3.200 1.300 1.300 peak 253 spectrum 1 weight 0.10000E+01 volume 0.28150E-02 ppm1 7.368 ppm2 0.801 CV 1 ASSI { 255} (( segid " A" and resid 135 and name HZ )) ( segid " A" and resid 168 and name HD2%) 4.400 2.400 1.600 peak 255 spectrum 1 weight 0.10000E+01 volume 0.16439E-02 ppm1 7.112 ppm2 0.993 CV 1 OR { 255} (( segid " A" and resid 135 and name HZ )) (( segid " A" and resid 281 and name HG2 )) OR { 255} (( segid " A" and resid 135 and name HZ )) ( segid " A" and resid 185 and name HG1%) OR { 255} (( segid " A" and resid 135 and name HZ )) ( segid " A" and resid 185 and name HG2%) ASSI { 256} (( segid " A" and resid 135 and name HZ )) (( segid " A" and resid 172 and name HB2 )) 3.300 1.300 1.300 peak 256 spectrum 1 weight 0.10000E+01 volume 0.37937E-02 ppm1 7.111 ppm2 1.757 CV 1 ASSI { 257} (( segid " A" and resid 135 and name HZ )) (( segid " A" and resid 173 and name HB1 )) 3.700 1.700 1.700 peak 257 spectrum 1 weight 0.10000E+01 volume 0.27491E-02 ppm1 7.108 ppm2 1.908 CV 1 OR { 257} (( segid " A" and resid 135 and name HZ )) ( segid " A" and resid 177 and name HE% ) OR { 257} (( segid " A" and resid 135 and name HZ )) (( segid " A" and resid 168 and name HG )) ASSI { 258} (( segid " A" and resid 135 and name HZ )) (( segid " A" and resid 169 and name HA )) 3.500 1.500 1.500 peak 258 spectrum 1 weight 0.10000E+01 volume 0.27967E-02 ppm1 7.112 ppm2 2.376 CV 1 OR { 258} (( segid " A" and resid 135 and name HZ )) (( segid " A" and resid 172 and name HB1 )) ASSI { 259} (( segid " A" and resid 135 and name HZ )) ( segid " A" and resid 135 and name HE% ) 2.400 0.700 0.700 peak 259 spectrum 1 weight 0.10000E+01 volume 0.11588E-01 ppm1 7.112 ppm2 7.349 CV 1 ASSI { 260} (( segid " A" and resid 152 and name HD2 )) ( segid " A" and resid 143 and name HE% ) 3.700 1.700 1.700 peak 260 spectrum 1 weight 0.10000E+01 volume 0.17777E-02 ppm1 6.867 ppm2 1.290 CV 1 ASSI { 261} (( segid " A" and resid 152 and name HE1 )) ( segid " A" and resid 119 and name HG2%) 3.200 1.300 1.300 peak 261 spectrum 1 weight 0.10000E+01 volume 0.26721E-02 ppm1 7.276 ppm2 0.698 CV 1 ASSI { 262} (( segid " A" and resid 152 and name HE1 )) (( segid " A" and resid 119 and name HB )) 3.300 1.400 1.400 peak 262 spectrum 1 weight 0.10000E+01 volume 0.16641E-02 ppm1 7.274 ppm2 1.133 CV 1 ASSI { 263} (( segid " A" and resid 152 and name HE1 )) (( segid " A" and resid 121 and name HA )) 3.800 1.800 1.800 peak 263 spectrum 1 weight 0.10000E+01 volume 0.11913E-02 ppm1 7.270 ppm2 3.668 CV 1 ASSI { 264} ( segid " A" and resid 232 and name HE% ) (( segid " A" and resid 232 and name HB2 )) 3.500 1.500 1.500 peak 264 spectrum 1 weight 0.10000E+01 volume 0.56667E-02 ppm1 7.372 ppm2 2.655 CV 1 ASSI { 265} ( segid " A" and resid 208 and name HD% ) (( segid " A" and resid 208 and name HA )) 3.300 1.400 1.400 peak 265 spectrum 1 weight 0.10000E+01 volume 0.28444E-02 ppm1 7.386 ppm2 4.469 CV 1 ASSI { 266} ( segid " A" and resid 208 and name HD% ) (( segid " A" and resid 205 and name HA )) 3.100 1.200 1.200 peak 266 spectrum 1 weight 0.10000E+01 volume 0.41328E-02 ppm1 7.388 ppm2 3.866 CV 1 ASSI { 267} ( segid " A" and resid 208 and name HD% ) (( segid " A" and resid 256 and name HG2 )) 3.400 3.400 2.600 peak 267 spectrum 1 weight 0.10000E+01 volume 0.25456E-02 ppm1 7.386 ppm2 2.180 CV 1 OR { 267} ( segid " A" and resid 135 and name HE% ) (( segid " A" and resid 171 and name HB1 )) OR { 267} ( segid " A" and resid 208 and name HD% ) (( segid " A" and resid 256 and name HB1 )) ASSI { 268} ( segid " A" and resid 208 and name HD% ) ( segid " A" and resid 207 and name HB% ) 3.100 1.200 1.200 peak 268 spectrum 1 weight 0.10000E+01 volume 0.40485E-02 ppm1 7.386 ppm2 1.150 CV 1 OR { 268} ( segid " A" and resid 208 and name HE% ) ( segid " A" and resid 207 and name HB% ) ASSI { 269} ( segid " A" and resid 212 and name HD% ) ( segid " A" and resid 168 and name HD2%) 3.200 1.300 1.300 peak 269 spectrum 1 weight 0.10000E+01 volume 0.15743E-02 ppm1 6.452 ppm2 1.041 CV 1 ASSI { 270} ( segid " A" and resid 212 and name HD% ) (( segid " A" and resid 212 and name HB1 )) 3.300 1.400 1.400 peak 270 spectrum 1 weight 0.10000E+01 volume 0.12646E-02 ppm1 6.457 ppm2 2.344 CV 1 ASSI { 276} ( segid " A" and resid 212 and name HE% ) (( segid " A" and resid 212 and name HH )) 3.200 1.300 1.300 peak 276 spectrum 1 weight 0.10000E+01 volume 0.14735E-02 ppm1 6.566 ppm2 9.080 CV 1 ASSI { 277} ( segid " A" and resid 212 and name HE% ) ( segid " A" and resid 252 and name HD% ) 3.300 3.300 2.700 peak 277 spectrum 1 weight 0.10000E+01 volume 0.13360E-02 ppm1 6.567 ppm2 6.794 CV 1 ASSI { 279} ( segid " A" and resid 212 and name HE% ) ( segid " A" and resid 214 and name HB% ) 3.200 1.300 1.300 peak 279 spectrum 1 weight 0.10000E+01 volume 0.12023E-02 ppm1 6.568 ppm2 1.246 CV 1 ASSI { 280} ( segid " A" and resid 212 and name HE% ) ( segid " A" and resid 168 and name HD2%) 3.100 1.200 1.200 peak 280 spectrum 1 weight 0.10000E+01 volume 0.16806E-02 ppm1 6.561 ppm2 1.031 CV 1 ASSI { 281} ( segid " A" and resid 212 and name HE% ) ( segid " A" and resid 162 and name HG2%) 3.500 1.500 1.500 peak 281 spectrum 1 weight 0.10000E+01 volume 0.10758E-02 ppm1 6.558 ppm2 0.741 CV 1 OR { 281} ( segid " A" and resid 212 and name HE% ) (( segid " A" and resid 164 and name HB2 )) OR { 281} ( segid " A" and resid 212 and name HE% ) (( segid " A" and resid 164 and name HB1 )) ASSI { 287} (( segid " A" and resid 217 and name HD2 )) (( segid " A" and resid 278 and name HG1 )) 3.000 1.100 1.100 peak 287 spectrum 1 weight 0.10000E+01 volume 0.34198E-02 ppm1 6.959 ppm2 2.287 CV 1 ASSI { 288} (( segid " A" and resid 217 and name HD2 )) ( segid " A" and resid 220 and name HD2%) 4.400 2.500 1.600 peak 288 spectrum 1 weight 0.10000E+01 volume 0.14643E-02 ppm1 6.964 ppm2 0.913 CV 1 ASSI { 289} (( segid " A" and resid 217 and name HD2 )) (( segid " A" and resid 217 and name HA )) 3.300 1.300 1.300 peak 289 spectrum 1 weight 0.10000E+01 volume 0.23550E-02 ppm1 6.964 ppm2 3.898 CV 1 ASSI { 290} (( segid " A" and resid 217 and name HD2 )) (( segid " A" and resid 276 and name HA1 )) 3.800 1.800 1.800 peak 290 spectrum 1 weight 0.10000E+01 volume 0.13929E-02 ppm1 6.955 ppm2 3.672 CV 1 OR { 290} (( segid " A" and resid 217 and name HD2 )) (( segid " A" and resid 276 and name HA2 )) ASSI { 291} (( segid " A" and resid 217 and name HE1 )) (( segid " A" and resid 219 and name HN )) 3.600 1.700 1.700 peak 291 spectrum 1 weight 0.10000E+01 volume 0.20655E-02 ppm1 7.710 ppm2 10.837 CV 1 ASSI { 292} (( segid " A" and resid 217 and name HE1 )) (( segid " A" and resid 219 and name HB2 )) 3.300 1.400 1.400 peak 292 spectrum 1 weight 0.10000E+01 volume 0.19298E-02 ppm1 7.708 ppm2 2.875 CV 1 ASSI { 293} (( segid " A" and resid 217 and name HE1 )) (( segid " A" and resid 219 and name HB1 )) 3.600 1.600 1.600 peak 293 spectrum 1 weight 0.10000E+01 volume 0.27747E-02 ppm1 7.707 ppm2 2.719 CV 1 ASSI { 294} (( segid " A" and resid 217 and name HE1 )) (( segid " A" and resid 218 and name HG2 )) 3.700 1.700 1.700 peak 294 spectrum 1 weight 0.10000E+01 volume 0.14497E-02 ppm1 7.707 ppm2 2.065 CV 1 ASSI { 295} (( segid " A" and resid 217 and name HE1 )) (( segid " A" and resid 218 and name HB2 )) 5.100 3.200 0.900 peak 295 spectrum 1 weight 0.10000E+01 volume 0.10355E-02 ppm1 7.708 ppm2 1.780 CV 1 ASSI { 296} (( segid " A" and resid 229 and name HZ )) ( segid " A" and resid 229 and name HD% ) 4.000 2.000 2.000 peak 296 spectrum 1 weight 0.10000E+01 volume 0.14625E-02 ppm1 6.896 ppm2 7.779 CV 1 ASSI { 297} (( segid " A" and resid 229 and name HZ )) (( segid " A" and resid 270 and name HB1 )) 3.100 1.200 1.200 peak 297 spectrum 1 weight 0.10000E+01 volume 0.18932E-02 ppm1 6.896 ppm2 1.852 CV 1 OR { 297} (( segid " A" and resid 229 and name HZ )) (( segid " A" and resid 270 and name HG2 )) ASSI { 298} (( segid " A" and resid 229 and name HZ )) ( segid " A" and resid 282 and name HG2%) 3.000 1.100 1.100 peak 298 spectrum 1 weight 0.10000E+01 volume 0.80676E-02 ppm1 6.894 ppm2 1.037 CV 1 OR { 298} (( segid " A" and resid 229 and name HZ )) ( segid " A" and resid 280 and name HD1%) OR { 298} (( segid " A" and resid 229 and name HZ )) (( segid " A" and resid 211 and name HG11)) ASSI { 299} (( segid " A" and resid 229 and name HZ )) ( segid " A" and resid 225 and name HG2%) 3.400 1.500 1.500 peak 299 spectrum 1 weight 0.10000E+01 volume 0.26758E-02 ppm1 6.895 ppm2 0.622 CV 1 OR { 299} (( segid " A" and resid 229 and name HZ )) ( segid " A" and resid 270 and name HE% ) ASSI { 300} (( segid " A" and resid 229 and name HZ )) ( segid " A" and resid 213 and name HG1%) 2.800 1.000 1.000 peak 300 spectrum 1 weight 0.10000E+01 volume 0.27527E-02 ppm1 6.895 ppm2 0.404 CV 1 ASSI { 302} (( segid " A" and resid 249 and name HE1 )) (( segid " A" and resid 251 and name HN )) 4.400 2.400 1.600 peak 302 spectrum 1 weight 0.10000E+01 volume 0.14882E-02 ppm1 7.412 ppm2 11.222 CV 1 ASSI { 303} (( segid " A" and resid 249 and name HE1 )) (( segid " A" and resid 251 and name HA2 )) 3.000 1.100 1.100 peak 303 spectrum 1 weight 0.10000E+01 volume 0.22964E-02 ppm1 7.416 ppm2 4.188 CV 1 ASSI { 304} (( segid " A" and resid 249 and name HE1 )) (( segid " A" and resid 251 and name HA1 )) 4.900 3.000 1.100 peak 304 spectrum 1 weight 0.10000E+01 volume 0.16879E-02 ppm1 7.407 ppm2 4.295 CV 1 ASSI { 305} (( segid " A" and resid 249 and name HE1 )) (( segid " A" and resid 218 and name HA )) 3.300 1.400 1.400 peak 305 spectrum 1 weight 0.10000E+01 volume 0.22616E-02 ppm1 7.416 ppm2 3.623 CV 1 ASSI { 306} (( segid " A" and resid 249 and name HE1 )) (( segid " A" and resid 216 and name HB )) 3.100 1.200 1.200 peak 306 spectrum 1 weight 0.10000E+01 volume 0.21498E-02 ppm1 7.415 ppm2 1.301 CV 1 ASSI { 307} (( segid " A" and resid 249 and name HE1 )) ( segid " A" and resid 216 and name HG1%) 3.100 1.200 1.200 peak 307 spectrum 1 weight 0.10000E+01 volume 0.27674E-02 ppm1 7.417 ppm2 0.658 CV 1 ASSI { 308} ( segid " A" and resid 252 and name HE% ) ( segid " A" and resid 241 and name HB% ) 2.800 1.000 1.000 peak 308 spectrum 1 weight 0.10000E+01 volume 0.58079E-02 ppm1 6.804 ppm2 0.771 CV 1 ASSI { 309} ( segid " A" and resid 252 and name HE% ) ( segid " A" and resid 162 and name HG1%) 3.100 1.200 1.200 peak 309 spectrum 1 weight 0.10000E+01 volume 0.26299E-02 ppm1 6.809 ppm2 1.063 CV 1 ASSI { 310} ( segid " A" and resid 252 and name HE% ) (( segid " A" and resid 250 and name HB1 )) 2.900 1.000 1.000 peak 310 spectrum 1 weight 0.10000E+01 volume 0.32421E-02 ppm1 6.804 ppm2 1.356 CV 1 ASSI { 311} ( segid " A" and resid 252 and name HE% ) (( segid " A" and resid 250 and name HD2 )) 3.500 1.500 1.500 peak 311 spectrum 1 weight 0.10000E+01 volume 0.24833E-02 ppm1 6.806 ppm2 1.789 CV 1 ASSI { 312} ( segid " A" and resid 252 and name HE% ) (( segid " A" and resid 137 and name HG1 )) 3.000 3.000 3.000 peak 312 spectrum 1 weight 0.10000E+01 volume 0.44920E-02 ppm1 6.806 ppm2 2.267 CV 1 ASSI { 313} ( segid " A" and resid 252 and name HE% ) (( segid " A" and resid 250 and name HB2 )) 3.200 3.200 2.800 peak 313 spectrum 1 weight 0.10000E+01 volume 0.26721E-02 ppm1 6.806 ppm2 2.427 CV 1 ASSI { 314} ( segid " A" and resid 252 and name HE% ) (( segid " A" and resid 252 and name HB1 )) 4.400 2.400 1.600 peak 314 spectrum 1 weight 0.10000E+01 volume 0.15981E-02 ppm1 6.807 ppm2 2.757 CV 1 ASSI { 315} ( segid " A" and resid 252 and name HE% ) (( segid " A" and resid 252 and name HB2 )) 4.200 2.200 1.800 peak 315 spectrum 1 weight 0.10000E+01 volume 0.21388E-02 ppm1 6.806 ppm2 3.007 CV 1 ASSI { 316} ( segid " A" and resid 252 and name HE% ) (( segid " A" and resid 137 and name HD2 )) 3.700 1.700 1.700 peak 316 spectrum 1 weight 0.10000E+01 volume 0.14442E-02 ppm1 6.811 ppm2 3.212 CV 1 ASSI { 317} ( segid " A" and resid 252 and name HE% ) (( segid " A" and resid 137 and name HD1 )) 4.200 2.200 1.800 peak 317 spectrum 1 weight 0.10000E+01 volume 0.11711E-02 ppm1 6.810 ppm2 3.486 CV 1 ASSI { 320} ( segid " A" and resid 252 and name HE% ) ( segid " A" and resid 254 and name HE% ) 2.900 1.000 1.000 peak 320 spectrum 1 weight 0.10000E+01 volume 0.36324E-02 ppm1 6.807 ppm2 7.314 CV 1 ASSI { 321} ( segid " A" and resid 254 and name HE% ) ( segid " A" and resid 285 and name HB% ) 3.300 1.400 1.400 peak 321 spectrum 1 weight 0.10000E+01 volume 0.22854E-02 ppm1 7.328 ppm2 1.525 CV 1 ASSI { 323} ( segid " A" and resid 254 and name HE% ) ( segid " A" and resid 162 and name HG1%) 3.600 1.600 1.600 peak 323 spectrum 1 weight 0.10000E+01 volume 0.22194E-02 ppm1 7.316 ppm2 1.052 CV 1 ASSI { 324} ( segid " A" and resid 254 and name HE% ) (( segid " A" and resid 164 and name HB1 )) 3.800 1.800 1.800 peak 324 spectrum 1 weight 0.10000E+01 volume 0.28590E-02 ppm1 7.331 ppm2 0.761 CV 1 OR { 324} ( segid " A" and resid 254 and name HE% ) (( segid " A" and resid 164 and name HB2 )) OR { 324} ( segid " A" and resid 254 and name HE% ) ( segid " A" and resid 241 and name HB% ) ASSI { 325} ( segid " A" and resid 115 and name HE% ) (( segid " A" and resid 115 and name HB1 )) 4.300 2.400 1.700 peak 325 spectrum 1 weight 0.10000E+01 volume 0.21204E-02 ppm1 6.220 ppm2 2.466 CV 1 ASSI { 326} ( segid " A" and resid 157 and name HD% ) (( segid " A" and resid 115 and name HB1 )) 2.800 2.800 3.200 peak 326 spectrum 1 weight 0.10000E+01 volume 0.19079E-02 ppm1 7.191 ppm2 2.460 CV 1 ASSI { 1} (( segid " A" and resid 217 and name HN )) (( segid " A" and resid 217 and name HA )) 2.900 1.000 1.000 peak 1 spectrum 1 weight 0.10000E+01 volume 0.36552E-02 ppm1 9.113 ppm2 3.921 CV 1 ASSI { 2} (( segid " A" and resid 217 and name HN )) (( segid " A" and resid 216 and name HA )) 2.300 0.700 0.700 peak 2 spectrum 1 weight 0.10000E+01 volume 0.84141E-02 ppm1 9.111 ppm2 3.556 CV 1 ASSI { 3} (( segid " A" and resid 217 and name HN )) (( segid " A" and resid 217 and name HB2 )) 2.600 0.800 0.800 peak 3 spectrum 1 weight 0.10000E+01 volume 0.49475E-02 ppm1 9.111 ppm2 3.111 CV 1 ASSI { 4} (( segid " A" and resid 217 and name HN )) (( segid " A" and resid 217 and name HB1 )) 2.900 1.000 1.000 peak 4 spectrum 1 weight 0.10000E+01 volume 0.45655E-02 ppm1 9.112 ppm2 2.863 CV 1 ASSI { 5} (( segid " A" and resid 217 and name HN )) ( segid " A" and resid 220 and name HD2%) 3.000 1.100 1.100 peak 5 spectrum 1 weight 0.10000E+01 volume 0.42589E-02 ppm1 9.115 ppm2 0.942 CV 1 ASSI { 6} (( segid " A" and resid 217 and name HN )) ( segid " A" and resid 216 and name HG1%) 3.200 1.300 1.300 peak 6 spectrum 1 weight 0.10000E+01 volume 0.34288E-02 ppm1 9.112 ppm2 0.686 CV 1 ASSI { 7} (( segid " A" and resid 217 and name HN )) ( segid " A" and resid 216 and name HG2%) 4.400 2.500 1.600 peak 7 spectrum 1 weight 0.10000E+01 volume 0.22049E-02 ppm1 9.110 ppm2 0.405 CV 1 ASSI { 9} (( segid " A" and resid 139 and name HN )) (( segid " A" and resid 160 and name HA )) 2.500 0.800 0.800 peak 9 spectrum 1 weight 0.10000E+01 volume 0.46362E-02 ppm1 9.545 ppm2 5.133 CV 1 ASSI { 10} (( segid " A" and resid 139 and name HN )) (( segid " A" and resid 139 and name HA )) 2.900 1.100 1.100 peak 10 spectrum 1 weight 0.10000E+01 volume 0.34288E-02 ppm1 9.545 ppm2 4.349 CV 1 ASSI { 11} (( segid " A" and resid 139 and name HN )) (( segid " A" and resid 138 and name HA )) 2.200 0.600 0.600 peak 11 spectrum 1 weight 0.10000E+01 volume 0.83481E-02 ppm1 9.545 ppm2 3.782 CV 1 ASSI { 12} (( segid " A" and resid 139 and name HN )) (( segid " A" and resid 138 and name HB )) 3.800 1.800 1.800 peak 12 spectrum 1 weight 0.10000E+01 volume 0.19531E-02 ppm1 9.545 ppm2 1.673 CV 1 ASSI { 13} (( segid " A" and resid 139 and name HN )) (( segid " A" and resid 139 and name HB2 )) 2.700 0.900 0.900 peak 13 spectrum 1 weight 0.10000E+01 volume 0.40090E-02 ppm1 9.548 ppm2 1.553 CV 1 ASSI { 14} (( segid " A" and resid 139 and name HN )) (( segid " A" and resid 139 and name HB1 )) 2.500 0.800 0.800 peak 14 spectrum 1 weight 0.10000E+01 volume 0.48414E-02 ppm1 9.545 ppm2 1.434 CV 1 ASSI { 15} (( segid " A" and resid 139 and name HN )) ( segid " A" and resid 138 and name HG2%) 2.900 1.100 1.100 peak 15 spectrum 1 weight 0.10000E+01 volume 0.44900E-02 ppm1 9.544 ppm2 0.563 CV 1 ASSI { 16} (( segid " A" and resid 133 and name HN )) (( segid " A" and resid 132 and name HN )) 2.400 0.700 0.700 peak 16 spectrum 1 weight 0.10000E+01 volume 0.48886E-02 ppm1 8.668 ppm2 8.114 CV 1 ASSI { 17} (( segid " A" and resid 133 and name HN )) ( segid " A" and resid 132 and name HD% ) 4.100 2.100 1.900 peak 17 spectrum 1 weight 0.10000E+01 volume 0.17951E-02 ppm1 8.666 ppm2 7.980 CV 1 OR { 17} (( segid " A" and resid 133 and name HN )) (( segid " A" and resid 130 and name HN )) ASSI { 18} (( segid " A" and resid 133 and name HN )) (( segid " A" and resid 133 and name HA )) 2.500 0.800 0.800 peak 18 spectrum 1 weight 0.10000E+01 volume 0.63884E-02 ppm1 8.667 ppm2 4.735 CV 1 ASSI { 19} (( segid " A" and resid 133 and name HN )) (( segid " A" and resid 130 and name HA )) 3.300 1.300 1.300 peak 19 spectrum 1 weight 0.10000E+01 volume 0.20844E-02 ppm1 8.669 ppm2 4.056 CV 1 ASSI { 20} (( segid " A" and resid 133 and name HN )) (( segid " A" and resid 134 and name HD1 )) 2.800 1.000 1.000 peak 20 spectrum 1 weight 0.10000E+01 volume 0.52517E-02 ppm1 8.668 ppm2 3.731 CV 1 ASSI { 21} (( segid " A" and resid 133 and name HN )) (( segid " A" and resid 134 and name HD2 )) 2.500 0.800 0.800 peak 21 spectrum 1 weight 0.10000E+01 volume 0.37826E-02 ppm1 8.667 ppm2 3.100 CV 1 ASSI { 22} (( segid " A" and resid 133 and name HN )) ( segid " A" and resid 133 and name HB% ) 2.300 0.600 0.600 peak 22 spectrum 1 weight 0.10000E+01 volume 0.13590E-01 ppm1 8.668 ppm2 1.642 CV 1 ASSI { 23} (( segid " A" and resid 133 and name HN )) ( segid " A" and resid 138 and name HD1%) 2.600 0.900 0.900 peak 23 spectrum 1 weight 0.10000E+01 volume 0.37614E-02 ppm1 8.665 ppm2 0.790 CV 1 ASSI { 24} (( segid " A" and resid 145 and name HE1 )) (( segid " A" and resid 145 and name HZ2 )) 3.000 1.200 1.200 peak 24 spectrum 1 weight 0.10000E+01 volume 0.44311E-02 ppm1 10.135 ppm2 7.469 CV 1 ASSI { 25} (( segid " A" and resid 145 and name HE1 )) (( segid " A" and resid 145 and name HD1 )) 2.800 1.000 1.000 peak 25 spectrum 1 weight 0.10000E+01 volume 0.86263E-02 ppm1 10.137 ppm2 7.145 CV 1 ASSI { 26} (( segid " A" and resid 275 and name HN )) ( segid " A" and resid 275 and name HD1%) 4.300 2.300 1.700 peak 26 spectrum 1 weight 0.10000E+01 volume 0.21193E-02 ppm1 8.368 ppm2 1.120 CV 1 ASSI { 27} (( segid " A" and resid 275 and name HN )) (( segid " A" and resid 278 and name HN )) 3.300 1.400 1.400 peak 27 spectrum 1 weight 0.10000E+01 volume 0.20549E-02 ppm1 8.368 ppm2 7.236 CV 1 ASSI { 28} (( segid " A" and resid 275 and name HN )) (( segid " A" and resid 279 and name HA )) 3.300 1.300 1.300 peak 28 spectrum 1 weight 0.10000E+01 volume 0.39170E-02 ppm1 8.374 ppm2 4.797 CV 1 ASSI { 29} (( segid " A" and resid 275 and name HN )) (( segid " A" and resid 275 and name HA )) 2.800 1.000 1.000 peak 29 spectrum 1 weight 0.10000E+01 volume 0.42118E-02 ppm1 8.366 ppm2 4.736 CV 1 ASSI { 30} (( segid " A" and resid 275 and name HN )) (( segid " A" and resid 274 and name HA )) 2.200 0.600 0.600 peak 30 spectrum 1 weight 0.10000E+01 volume 0.14211E-01 ppm1 8.369 ppm2 4.356 CV 1 ASSI { 31} (( segid " A" and resid 275 and name HN )) (( segid " A" and resid 280 and name HG )) 3.300 1.400 1.400 peak 31 spectrum 1 weight 0.10000E+01 volume 0.16484E-02 ppm1 8.367 ppm2 2.256 CV 1 ASSI { 32} (( segid " A" and resid 275 and name HN )) (( segid " A" and resid 275 and name HB2 )) 3.000 1.100 1.100 peak 32 spectrum 1 weight 0.10000E+01 volume 0.38038E-02 ppm1 8.370 ppm2 2.033 CV 1 ASSI { 33} (( segid " A" and resid 275 and name HN )) (( segid " A" and resid 275 and name HB1 )) 2.800 1.000 1.000 peak 33 spectrum 1 weight 0.10000E+01 volume 0.28534E-02 ppm1 8.367 ppm2 1.485 CV 1 ASSI { 34} (( segid " A" and resid 275 and name HN )) ( segid " A" and resid 275 and name HD2%) 4.500 2.500 1.500 peak 34 spectrum 1 weight 0.10000E+01 volume 0.16637E-02 ppm1 8.367 ppm2 1.000 CV 1 ASSI { 35} (( segid " A" and resid 235 and name HN )) (( segid " A" and resid 234 and name HA )) 2.100 0.600 0.600 peak 35 spectrum 1 weight 0.10000E+01 volume 0.14062E-01 ppm1 9.131 ppm2 4.323 CV 1 OR { 35} (( segid " A" and resid 236 and name HN )) (( segid " A" and resid 236 and name HA )) ASSI { 36} (( segid " A" and resid 235 and name HN )) (( segid " A" and resid 235 and name HG12)) 3.500 1.600 1.600 peak 36 spectrum 1 weight 0.10000E+01 volume 0.33274E-02 ppm1 9.128 ppm2 1.989 CV 1 ASSI { 37} (( segid " A" and resid 235 and name HN )) (( segid " A" and resid 235 and name HB )) 2.400 0.700 0.700 peak 37 spectrum 1 weight 0.10000E+01 volume 0.82726E-02 ppm1 9.131 ppm2 1.668 CV 1 ASSI { 38} (( segid " A" and resid 235 and name HN )) ( segid " A" and resid 235 and name HD1%) 4.000 2.000 2.000 peak 38 spectrum 1 weight 0.10000E+01 volume 0.25422E-02 ppm1 9.125 ppm2 0.723 CV 1 ASSI { 39} (( segid " A" and resid 235 and name HN )) ( segid " A" and resid 235 and name HG2%) 3.500 1.600 1.600 peak 39 spectrum 1 weight 0.10000E+01 volume 0.48815E-02 ppm1 9.122 ppm2 0.612 CV 1 ASSI { 40} (( segid " A" and resid 235 and name HN )) (( segid " A" and resid 235 and name HG11)) 2.600 0.900 0.900 peak 40 spectrum 1 weight 0.10000E+01 volume 0.24054E-02 ppm1 9.125 ppm2 0.214 CV 1 ASSI { 43} (( segid " A" and resid 142 and name HN )) (( segid " A" and resid 142 and name HA )) 3.000 1.100 1.100 peak 43 spectrum 1 weight 0.10000E+01 volume 0.29242E-02 ppm1 8.939 ppm2 5.046 CV 1 ASSI { 44} (( segid " A" and resid 236 and name HN )) (( segid " A" and resid 257 and name HA )) 2.400 0.700 0.700 peak 44 spectrum 1 weight 0.10000E+01 volume 0.40774E-02 ppm1 9.116 ppm2 4.965 CV 1 ASSI { 45} (( segid " A" and resid 142 and name HN )) (( segid " A" and resid 141 and name HA )) 2.300 0.700 0.700 peak 45 spectrum 1 weight 0.10000E+01 volume 0.10428E-01 ppm1 8.941 ppm2 4.617 CV 1 ASSI { 46} (( segid " A" and resid 142 and name HN )) (( segid " A" and resid 158 and name HA )) 3.700 1.700 1.700 peak 46 spectrum 1 weight 0.10000E+01 volume 0.17281E-02 ppm1 8.941 ppm2 4.111 CV 1 ASSI { 47} (( segid " A" and resid 236 and name HN )) (( segid " A" and resid 235 and name HA )) 2.200 0.600 0.600 peak 47 spectrum 1 weight 0.10000E+01 volume 0.90886E-02 ppm1 9.114 ppm2 4.046 CV 1 OR { 47} (( segid " A" and resid 235 and name HN )) (( segid " A" and resid 235 and name HA )) ASSI { 48} (( segid " A" and resid 142 and name HN )) (( segid " A" and resid 142 and name HB1 )) 3.300 1.400 1.400 peak 48 spectrum 1 weight 0.10000E+01 volume 0.37401E-02 ppm1 8.939 ppm2 2.845 CV 1 ASSI { 49} (( segid " A" and resid 142 and name HN )) (( segid " A" and resid 142 and name HB2 )) 2.800 1.000 1.000 peak 49 spectrum 1 weight 0.10000E+01 volume 0.39005E-02 ppm1 8.943 ppm2 2.641 CV 1 ASSI { 50} (( segid " A" and resid 236 and name HN )) (( segid " A" and resid 236 and name HB2 )) 2.600 0.900 0.900 peak 50 spectrum 1 weight 0.10000E+01 volume 0.51220E-02 ppm1 9.115 ppm2 1.493 CV 1 ASSI { 51} (( segid " A" and resid 236 and name HN )) (( segid " A" and resid 236 and name HG1 )) 3.800 1.800 1.800 peak 51 spectrum 1 weight 0.10000E+01 volume 0.41646E-02 ppm1 9.116 ppm2 1.388 CV 1 OR { 51} (( segid " A" and resid 236 and name HN )) (( segid " A" and resid 236 and name HG2 )) OR { 51} (( segid " A" and resid 236 and name HN )) (( segid " A" and resid 226 and name HG2 )) ASSI { 52} (( segid " A" and resid 142 and name HN )) ( segid " A" and resid 156 and name HB% ) 4.000 2.000 2.000 peak 52 spectrum 1 weight 0.10000E+01 volume 0.23309E-02 ppm1 8.938 ppm2 0.861 CV 1 OR { 52} (( segid " A" and resid 142 and name HN )) (( segid " A" and resid 141 and name HG11)) ASSI { 53} (( segid " A" and resid 142 and name HN )) ( segid " A" and resid 141 and name HG2%) 2.700 0.900 0.900 peak 53 spectrum 1 weight 0.10000E+01 volume 0.49570E-02 ppm1 8.940 ppm2 0.620 CV 1 ASSI { 54} (( segid " A" and resid 241 and name HN )) ( segid " A" and resid 252 and name HE% ) 3.800 1.900 1.900 peak 54 spectrum 1 weight 0.10000E+01 volume 0.16387E-02 ppm1 8.465 ppm2 6.827 CV 1 OR { 54} (( segid " A" and resid 241 and name HN )) ( segid " A" and resid 252 and name HD% ) ASSI { 55} (( segid " A" and resid 241 and name HN )) (( segid " A" and resid 240 and name HA )) 2.100 0.600 0.600 peak 55 spectrum 1 weight 0.10000E+01 volume 0.11185E-01 ppm1 8.463 ppm2 4.584 CV 1 ASSI { 56} (( segid " A" and resid 116 and name HN )) (( segid " A" and resid 115 and name HA )) 2.500 0.800 0.800 peak 56 spectrum 1 weight 0.10000E+01 volume 0.49640E-02 ppm1 8.407 ppm2 4.510 CV 1 ASSI { 58} (( segid " A" and resid 116 and name HN )) (( segid " A" and resid 116 and name HB )) 3.500 1.600 1.600 peak 58 spectrum 1 weight 0.10000E+01 volume 0.25610E-02 ppm1 8.412 ppm2 1.597 CV 1 ASSI { 59} (( segid " A" and resid 241 and name HN )) (( segid " A" and resid 240 and name HB2 )) 3.900 1.900 1.900 peak 59 spectrum 1 weight 0.10000E+01 volume 0.24525E-02 ppm1 8.462 ppm2 1.525 CV 1 ASSI { 60} (( segid " A" and resid 241 and name HN )) (( segid " A" and resid 240 and name HG )) 4.200 2.200 1.800 peak 60 spectrum 1 weight 0.10000E+01 volume 0.17255E-02 ppm1 8.465 ppm2 1.192 CV 1 OR { 60} (( segid " A" and resid 241 and name HN )) ( segid " A" and resid 239 and name HG2%) ASSI { 61} (( segid " A" and resid 241 and name HN )) ( segid " A" and resid 241 and name HB% ) 2.200 0.600 0.600 peak 61 spectrum 1 weight 0.10000E+01 volume 0.15692E-01 ppm1 8.463 ppm2 0.804 CV 1 ASSI { 62} (( segid " A" and resid 116 and name HN )) ( segid " A" and resid 116 and name HG1%) 3.300 1.300 1.300 peak 62 spectrum 1 weight 0.10000E+01 volume 0.27992E-02 ppm1 8.413 ppm2 0.321 CV 1 ASSI { 63} (( segid " A" and resid 241 and name HN )) ( segid " A" and resid 240 and name HD2%) 3.900 1.900 1.900 peak 63 spectrum 1 weight 0.10000E+01 volume 0.41905E-02 ppm1 8.464 ppm2 0.131 CV 1 ASSI { 64} (( segid " A" and resid 138 and name HN )) (( segid " A" and resid 138 and name HA )) 3.000 1.100 1.100 peak 64 spectrum 1 weight 0.10000E+01 volume 0.19719E-02 ppm1 8.804 ppm2 3.792 CV 1 ASSI { 65} (( segid " A" and resid 138 and name HN )) (( segid " A" and resid 137 and name HB1 )) 4.400 2.400 1.600 peak 65 spectrum 1 weight 0.10000E+01 volume 0.15800E-02 ppm1 8.802 ppm2 2.377 CV 1 ASSI { 66} (( segid " A" and resid 138 and name HN )) (( segid " A" and resid 137 and name HB2 )) 4.100 2.100 1.900 peak 66 spectrum 1 weight 0.10000E+01 volume 0.18835E-02 ppm1 8.798 ppm2 2.079 CV 1 ASSI { 67} (( segid " A" and resid 138 and name HN )) (( segid " A" and resid 138 and name HG12)) 3.700 1.700 1.700 peak 67 spectrum 1 weight 0.10000E+01 volume 0.26601E-02 ppm1 8.803 ppm2 1.938 CV 1 ASSI { 68} (( segid " A" and resid 138 and name HN )) (( segid " A" and resid 138 and name HB )) 2.500 0.800 0.800 peak 68 spectrum 1 weight 0.10000E+01 volume 0.60182E-02 ppm1 8.799 ppm2 1.670 CV 1 ASSI { 69} (( segid " A" and resid 138 and name HN )) ( segid " A" and resid 138 and name HD1%) 4.100 2.100 1.900 peak 69 spectrum 1 weight 0.10000E+01 volume 0.23676E-02 ppm1 8.804 ppm2 0.790 CV 1 ASSI { 70} (( segid " A" and resid 138 and name HN )) ( segid " A" and resid 138 and name HG2%) 4.200 2.200 1.800 peak 70 spectrum 1 weight 0.10000E+01 volume 0.20979E-02 ppm1 8.800 ppm2 0.570 CV 1 ASSI { 71} (( segid " A" and resid 138 and name HN )) (( segid " A" and resid 138 and name HG11)) 2.600 0.800 0.800 peak 71 spectrum 1 weight 0.10000E+01 volume 0.19906E-02 ppm1 8.795 ppm2 0.353 CV 1 ASSI { 74} (( segid " A" and resid 274 and name HN )) ( segid " A" and resid 273 and name HD% ) 3.500 1.500 1.500 peak 74 spectrum 1 weight 0.10000E+01 volume 0.29148E-02 ppm1 7.746 ppm2 7.128 CV 1 ASSI { 75} (( segid " A" and resid 214 and name HN )) (( segid " A" and resid 282 and name HA )) 3.600 1.700 1.700 peak 75 spectrum 1 weight 0.10000E+01 volume 0.26648E-02 ppm1 8.999 ppm2 5.407 CV 1 ASSI { 76} (( segid " A" and resid 159 and name HN )) (( segid " A" and resid 159 and name HA )) 2.900 1.100 1.100 peak 76 spectrum 1 weight 0.10000E+01 volume 0.27096E-02 ppm1 8.676 ppm2 5.029 CV 1 ASSI { 77} (( segid " A" and resid 240 and name HN )) (( segid " A" and resid 239 and name HA )) 2.200 0.600 0.600 peak 77 spectrum 1 weight 0.10000E+01 volume 0.15241E-01 ppm1 8.642 ppm2 4.879 CV 1 ASSI { 79} (( segid " A" and resid 274 and name HN )) (( segid " A" and resid 274 and name HA )) 2.200 0.600 0.600 peak 79 spectrum 1 weight 0.10000E+01 volume 0.21401E-01 ppm1 7.745 ppm2 4.378 CV 1 ASSI { 80} (( segid " A" and resid 159 and name HN )) (( segid " A" and resid 158 and name HA )) 2.100 0.600 0.600 peak 80 spectrum 1 weight 0.10000E+01 volume 0.13998E-01 ppm1 8.678 ppm2 4.110 CV 1 ASSI { 81} (( segid " A" and resid 240 and name HN )) (( segid " A" and resid 239 and name HB )) 4.100 2.100 1.900 peak 81 spectrum 1 weight 0.10000E+01 volume 0.19745E-02 ppm1 8.637 ppm2 3.971 CV 1 ASSI { 82} (( segid " A" and resid 274 and name HN )) (( segid " A" and resid 273 and name HB1 )) 4.200 2.200 1.800 peak 82 spectrum 1 weight 0.10000E+01 volume 0.19611E-02 ppm1 7.740 ppm2 3.176 CV 1 ASSI { 83} (( segid " A" and resid 274 and name HN )) (( segid " A" and resid 274 and name HB2 )) 2.800 1.000 1.000 peak 83 spectrum 1 weight 0.10000E+01 volume 0.95178E-02 ppm1 7.743 ppm2 2.470 CV 1 ASSI { 84} (( segid " A" and resid 274 and name HN )) (( segid " A" and resid 274 and name HB1 )) 2.500 0.800 0.800 peak 84 spectrum 1 weight 0.10000E+01 volume 0.86712E-02 ppm1 7.743 ppm2 2.123 CV 1 ASSI { 85} (( segid " A" and resid 159 and name HN )) (( segid " A" and resid 159 and name HB2 )) 2.900 1.000 1.000 peak 85 spectrum 1 weight 0.10000E+01 volume 0.65252E-02 ppm1 8.679 ppm2 2.061 CV 1 OR { 85} (( segid " A" and resid 159 and name HN )) (( segid " A" and resid 159 and name HG2 )) ASSI { 86} (( segid " A" and resid 214 and name HN )) (( segid " A" and resid 281 and name HB2 )) 3.200 1.300 1.300 peak 86 spectrum 1 weight 0.10000E+01 volume 0.18566E-02 ppm1 8.997 ppm2 1.786 CV 1 OR { 86} (( segid " A" and resid 214 and name HN )) (( segid " A" and resid 281 and name HB1 )) ASSI { 87} (( segid " A" and resid 159 and name HN )) (( segid " A" and resid 159 and name HB1 )) 2.700 0.900 0.900 peak 87 spectrum 1 weight 0.10000E+01 volume 0.42377E-02 ppm1 8.675 ppm2 1.710 CV 1 ASSI { 88} (( segid " A" and resid 240 and name HN )) (( segid " A" and resid 240 and name HB2 )) 2.600 0.900 0.900 peak 88 spectrum 1 weight 0.10000E+01 volume 0.43297E-02 ppm1 8.646 ppm2 1.512 CV 1 ASSI { 89} (( segid " A" and resid 240 and name HN )) (( segid " A" and resid 240 and name HG )) 2.400 0.700 0.700 peak 89 spectrum 1 weight 0.10000E+01 volume 0.83269E-02 ppm1 8.642 ppm2 1.197 CV 1 ASSI { 90} (( segid " A" and resid 240 and name HN )) (( segid " A" and resid 240 and name HB1 )) 3.900 1.900 1.900 peak 90 spectrum 1 weight 0.10000E+01 volume 0.27167E-02 ppm1 8.641 ppm2 0.820 CV 1 ASSI { 91} (( segid " A" and resid 159 and name HN )) ( segid " A" and resid 138 and name HG2%) 3.100 1.200 1.200 peak 91 spectrum 1 weight 0.10000E+01 volume 0.27096E-02 ppm1 8.678 ppm2 0.573 CV 1 ASSI { 92} (( segid " A" and resid 159 and name HN )) ( segid " A" and resid 158 and name HG1%) 2.800 1.000 1.000 peak 92 spectrum 1 weight 0.10000E+01 volume 0.58578E-02 ppm1 8.676 ppm2 0.150 CV 1 ASSI { 93} (( segid " A" and resid 240 and name HN )) ( segid " A" and resid 240 and name HD1%) 4.100 2.100 1.900 peak 93 spectrum 1 weight 0.10000E+01 volume 0.25091E-02 ppm1 8.653 ppm2 -0.012 CV 1 ASSI { 94} (( segid " A" and resid 214 and name HN )) (( segid " A" and resid 281 and name HN )) 3.100 1.200 1.200 peak 94 spectrum 1 weight 0.10000E+01 volume 0.22908E-02 ppm1 8.995 ppm2 7.769 CV 1 ASSI { 95} (( segid " A" and resid 214 and name HN )) (( segid " A" and resid 214 and name HA )) 3.000 1.100 1.100 peak 95 spectrum 1 weight 0.10000E+01 volume 0.25539E-02 ppm1 8.996 ppm2 5.113 CV 1 ASSI { 96} (( segid " A" and resid 214 and name HN )) (( segid " A" and resid 213 and name HA )) 2.100 0.600 0.600 peak 96 spectrum 1 weight 0.10000E+01 volume 0.14446E-01 ppm1 8.998 ppm2 4.589 CV 1 ASSI { 97} (( segid " A" and resid 214 and name HN )) ( segid " A" and resid 214 and name HB% ) 2.500 0.800 0.800 peak 97 spectrum 1 weight 0.10000E+01 volume 0.77161E-02 ppm1 9.001 ppm2 1.286 CV 1 ASSI { 98} (( segid " A" and resid 214 and name HN )) ( segid " A" and resid 168 and name HD2%) 3.400 1.500 1.500 peak 98 spectrum 1 weight 0.10000E+01 volume 0.37071E-02 ppm1 8.995 ppm2 1.041 CV 1 OR { 98} (( segid " A" and resid 214 and name HN )) ( segid " A" and resid 282 and name HG2%) OR { 98} (( segid " A" and resid 214 and name HN )) (( segid " A" and resid 281 and name HG2 )) ASSI { 99} (( segid " A" and resid 214 and name HN )) ( segid " A" and resid 213 and name HG2%) 3.400 1.500 1.500 peak 99 spectrum 1 weight 0.10000E+01 volume 0.51834E-02 ppm1 8.998 ppm2 0.435 CV 1 ASSI { 100} (( segid " A" and resid 178 and name HN )) (( segid " A" and resid 177 and name HA )) 2.200 0.600 0.600 peak 100 spectrum 1 weight 0.10000E+01 volume 0.12187E-01 ppm1 8.560 ppm2 4.621 CV 1 ASSI { 101} (( segid " A" and resid 178 and name HN )) (( segid " A" and resid 177 and name HB1 )) 4.000 2.000 2.000 peak 101 spectrum 1 weight 0.10000E+01 volume 0.21380E-02 ppm1 8.564 ppm2 1.944 CV 1 ASSI { 102} (( segid " A" and resid 178 and name HN )) (( segid " A" and resid 177 and name HB2 )) 4.200 2.200 1.800 peak 102 spectrum 1 weight 0.10000E+01 volume 0.23606E-02 ppm1 8.562 ppm2 1.805 CV 1 ASSI { 103} (( segid " A" and resid 178 and name HN )) (( segid " A" and resid 178 and name HB1 )) 4.100 2.100 1.900 peak 103 spectrum 1 weight 0.10000E+01 volume 0.21729E-02 ppm1 8.562 ppm2 1.597 CV 1 ASSI { 104} (( segid " A" and resid 178 and name HN )) (( segid " A" and resid 178 and name HB2 )) 3.300 1.300 1.300 peak 104 spectrum 1 weight 0.10000E+01 volume 0.29855E-02 ppm1 8.560 ppm2 1.451 CV 1 ASSI { 105} (( segid " A" and resid 230 and name HN )) (( segid " A" and resid 229 and name HN )) 2.300 0.700 0.700 peak 105 spectrum 1 weight 0.10000E+01 volume 0.69780E-02 ppm1 8.775 ppm2 8.284 CV 1 ASSI { 106} (( segid " A" and resid 230 and name HN )) ( segid " A" and resid 229 and name HD% ) 4.100 2.100 1.900 peak 106 spectrum 1 weight 0.10000E+01 volume 0.22828E-02 ppm1 8.776 ppm2 7.800 CV 1 ASSI { 108} (( segid " A" and resid 230 and name HN )) (( segid " A" and resid 230 and name HA )) 2.600 0.800 0.800 peak 108 spectrum 1 weight 0.10000E+01 volume 0.64568E-02 ppm1 8.776 ppm2 4.890 CV 1 ASSI { 109} (( segid " A" and resid 230 and name HN )) (( segid " A" and resid 229 and name HA )) 3.100 1.200 1.200 peak 109 spectrum 1 weight 0.10000E+01 volume 0.29902E-02 ppm1 8.778 ppm2 4.435 CV 1 ASSI { 110} (( segid " A" and resid 230 and name HN )) (( segid " A" and resid 227 and name HA )) 3.300 1.400 1.400 peak 110 spectrum 1 weight 0.10000E+01 volume 0.22934E-02 ppm1 8.774 ppm2 4.269 CV 1 ASSI { 111} (( segid " A" and resid 230 and name HN )) (( segid " A" and resid 228 and name HA )) 3.400 1.500 1.500 peak 111 spectrum 1 weight 0.10000E+01 volume 0.20524E-02 ppm1 8.776 ppm2 3.945 CV 1 ASSI { 112} (( segid " A" and resid 230 and name HN )) (( segid " A" and resid 229 and name HB1 )) 3.400 1.500 1.500 peak 112 spectrum 1 weight 0.10000E+01 volume 0.21299E-02 ppm1 8.774 ppm2 3.548 CV 1 ASSI { 113} (( segid " A" and resid 230 and name HN )) (( segid " A" and resid 229 and name HB2 )) 2.900 1.100 1.100 peak 113 spectrum 1 weight 0.10000E+01 volume 0.23377E-02 ppm1 8.774 ppm2 2.849 CV 1 ASSI { 114} (( segid " A" and resid 230 and name HN )) (( segid " A" and resid 230 and name HG2 )) 3.800 1.800 1.800 peak 114 spectrum 1 weight 0.10000E+01 volume 0.52517E-02 ppm1 8.775 ppm2 2.563 CV 1 OR { 114} (( segid " A" and resid 230 and name HN )) (( segid " A" and resid 230 and name HG1 )) ASSI { 115} (( segid " A" and resid 230 and name HN )) (( segid " A" and resid 230 and name HB1 )) 2.300 0.700 0.700 peak 115 spectrum 1 weight 0.10000E+01 volume 0.99281E-02 ppm1 8.776 ppm2 2.329 CV 1 ASSI { 116} (( segid " A" and resid 230 and name HN )) (( segid " A" and resid 230 and name HB2 )) 2.400 0.700 0.700 peak 116 spectrum 1 weight 0.10000E+01 volume 0.84023E-02 ppm1 8.776 ppm2 2.134 CV 1 ASSI { 117} (( segid " A" and resid 178 and name HN )) ( segid " A" and resid 123 and name HD1%) 3.700 1.800 1.800 peak 117 spectrum 1 weight 0.10000E+01 volume 0.21809E-02 ppm1 8.561 ppm2 0.970 CV 1 OR { 117} (( segid " A" and resid 178 and name HN )) ( segid " A" and resid 123 and name HD2%) ASSI { 118} (( segid " A" and resid 178 and name HN )) ( segid " A" and resid 178 and name HD2%) 3.900 1.900 1.900 peak 118 spectrum 1 weight 0.10000E+01 volume 0.19344E-02 ppm1 8.562 ppm2 0.855 CV 1 OR { 118} (( segid " A" and resid 178 and name HN )) ( segid " A" and resid 178 and name HD1%) ASSI { 119} (( segid " A" and resid 230 and name HN )) ( segid " A" and resid 235 and name HD1%) 2.300 0.700 0.700 peak 119 spectrum 1 weight 0.10000E+01 volume 0.58720E-02 ppm1 8.776 ppm2 0.721 CV 1 ASSI { 121} (( segid " A" and resid 256 and name HN )) (( segid " A" and resid 256 and name HA )) 3.000 1.100 1.100 peak 121 spectrum 1 weight 0.10000E+01 volume 0.23309E-02 ppm1 8.786 ppm2 5.063 CV 1 ASSI { 122} (( segid " A" and resid 256 and name HN )) (( segid " A" and resid 238 and name HA )) 3.600 1.600 1.600 peak 122 spectrum 1 weight 0.10000E+01 volume 0.26931E-02 ppm1 8.802 ppm2 4.781 CV 1 ASSI { 123} (( segid " A" and resid 256 and name HN )) (( segid " A" and resid 255 and name HA )) 2.200 0.600 0.600 peak 123 spectrum 1 weight 0.10000E+01 volume 0.11777E-01 ppm1 8.798 ppm2 4.601 CV 1 ASSI { 124} (( segid " A" and resid 256 and name HN )) (( segid " A" and resid 256 and name HB1 )) 3.600 1.600 1.600 peak 124 spectrum 1 weight 0.10000E+01 volume 0.37401E-02 ppm1 8.805 ppm2 2.171 CV 1 ASSI { 125} (( segid " A" and resid 256 and name HN )) (( segid " A" and resid 256 and name HB2 )) 2.700 0.900 0.900 peak 125 spectrum 1 weight 0.10000E+01 volume 0.38415E-02 ppm1 8.797 ppm2 1.794 CV 1 ASSI { 126} (( segid " A" and resid 160 and name HN )) ( segid " A" and resid 166 and name HB% ) 3.700 1.700 1.700 peak 126 spectrum 1 weight 0.10000E+01 volume 0.16531E-02 ppm1 8.967 ppm2 1.463 CV 1 OR { 126} (( segid " A" and resid 160 and name HN )) (( segid " A" and resid 139 and name HB1 )) ASSI { 127} (( segid " A" and resid 256 and name HN )) (( segid " A" and resid 255 and name HG12)) 3.300 1.400 1.400 peak 127 spectrum 1 weight 0.10000E+01 volume 0.40608E-02 ppm1 8.798 ppm2 0.607 CV 1 OR { 127} (( segid " A" and resid 256 and name HN )) ( segid " A" and resid 235 and name HG2%) ASSI { 128} (( segid " A" and resid 256 and name HN )) ( segid " A" and resid 255 and name HG2%) 2.600 0.800 0.800 peak 128 spectrum 1 weight 0.10000E+01 volume 0.59875E-02 ppm1 8.797 ppm2 0.252 CV 1 ASSI { 129} (( segid " A" and resid 218 and name HN )) (( segid " A" and resid 219 and name HN )) 3.100 1.200 1.200 peak 129 spectrum 1 weight 0.10000E+01 volume 0.19934E-02 ppm1 7.949 ppm2 10.839 CV 1 ASSI { 130} (( segid " A" and resid 160 and name HN )) ( segid " A" and resid 160 and name HD% ) 3.000 1.100 1.100 peak 130 spectrum 1 weight 0.10000E+01 volume 0.36175E-02 ppm1 8.965 ppm2 6.829 CV 1 ASSI { 131} (( segid " A" and resid 160 and name HN )) (( segid " A" and resid 113 and name HA )) 3.500 1.500 1.500 peak 131 spectrum 1 weight 0.10000E+01 volume 0.24973E-02 ppm1 8.966 ppm2 5.396 CV 1 ASSI { 132} (( segid " A" and resid 160 and name HN )) (( segid " A" and resid 159 and name HA )) 2.300 0.600 0.600 peak 132 spectrum 1 weight 0.10000E+01 volume 0.78458E-02 ppm1 8.965 ppm2 5.031 CV 1 ASSI { 133} (( segid " A" and resid 160 and name HN )) (( segid " A" and resid 112 and name HA )) 3.400 1.400 1.400 peak 133 spectrum 1 weight 0.10000E+01 volume 0.16331E-02 ppm1 8.964 ppm2 4.169 CV 1 ASSI { 134} (( segid " A" and resid 218 and name HN )) (( segid " A" and resid 217 and name HA )) 2.100 0.500 0.500 peak 134 spectrum 1 weight 0.10000E+01 volume 0.15776E-01 ppm1 7.947 ppm2 3.920 CV 1 ASSI { 135} (( segid " A" and resid 218 and name HN )) (( segid " A" and resid 218 and name HA )) 2.600 0.800 0.800 peak 135 spectrum 1 weight 0.10000E+01 volume 0.61762E-02 ppm1 7.947 ppm2 3.645 CV 1 ASSI { 136} (( segid " A" and resid 160 and name HN )) (( segid " A" and resid 112 and name HB1 )) 3.100 1.200 1.200 peak 136 spectrum 1 weight 0.10000E+01 volume 0.21674E-02 ppm1 8.964 ppm2 3.615 CV 1 ASSI { 137} (( segid " A" and resid 160 and name HN )) (( segid " A" and resid 160 and name HB1 )) 3.800 1.800 1.800 peak 137 spectrum 1 weight 0.10000E+01 volume 0.29902E-02 ppm1 8.964 ppm2 3.129 CV 1 ASSI { 138} (( segid " A" and resid 218 and name HN )) (( segid " A" and resid 217 and name HB2 )) 4.000 2.000 2.000 peak 138 spectrum 1 weight 0.10000E+01 volume 0.19210E-02 ppm1 7.947 ppm2 3.100 CV 1 ASSI { 139} (( segid " A" and resid 218 and name HN )) (( segid " A" and resid 217 and name HB1 )) 3.700 1.700 1.700 peak 139 spectrum 1 weight 0.10000E+01 volume 0.18139E-02 ppm1 7.951 ppm2 2.862 CV 1 ASSI { 140} (( segid " A" and resid 160 and name HN )) (( segid " A" and resid 160 and name HB2 )) 2.700 0.900 0.900 peak 140 spectrum 1 weight 0.10000E+01 volume 0.33392E-02 ppm1 8.967 ppm2 2.791 CV 1 ASSI { 141} (( segid " A" and resid 218 and name HN )) (( segid " A" and resid 218 and name HG1 )) 4.100 2.100 1.900 peak 141 spectrum 1 weight 0.10000E+01 volume 0.19264E-02 ppm1 7.948 ppm2 2.227 CV 1 ASSI { 142} (( segid " A" and resid 218 and name HN )) (( segid " A" and resid 218 and name HG2 )) 2.400 0.700 0.700 peak 142 spectrum 1 weight 0.10000E+01 volume 0.37024E-02 ppm1 7.947 ppm2 2.092 CV 1 ASSI { 143} (( segid " A" and resid 160 and name HN )) (( segid " A" and resid 159 and name HG1 )) 3.300 1.400 1.400 peak 143 spectrum 1 weight 0.10000E+01 volume 0.36175E-02 ppm1 8.966 ppm2 2.051 CV 1 OR { 143} (( segid " A" and resid 160 and name HN )) (( segid " A" and resid 159 and name HB2 )) OR { 143} (( segid " A" and resid 160 and name HN )) (( segid " A" and resid 159 and name HG2 )) ASSI { 144} (( segid " A" and resid 218 and name HN )) (( segid " A" and resid 218 and name HB1 )) 2.400 0.700 0.700 peak 144 spectrum 1 weight 0.10000E+01 volume 0.82962E-02 ppm1 7.948 ppm2 1.826 CV 1 ASSI { 145} (( segid " A" and resid 160 and name HN )) (( segid " A" and resid 159 and name HB1 )) 4.200 2.200 1.800 peak 145 spectrum 1 weight 0.10000E+01 volume 0.16960E-02 ppm1 8.961 ppm2 1.732 CV 1 ASSI { 146} (( segid " A" and resid 257 and name HN )) ( segid " A" and resid 257 and name HD% ) 2.900 1.000 1.000 peak 146 spectrum 1 weight 0.10000E+01 volume 0.34194E-02 ppm1 8.861 ppm2 6.978 CV 1 OR { 146} (( segid " A" and resid 257 and name HN )) (( segid " A" and resid 263 and name HN )) ASSI { 147} (( segid " A" and resid 257 and name HN )) (( segid " A" and resid 210 and name HA )) 3.800 1.800 1.800 peak 147 spectrum 1 weight 0.10000E+01 volume 0.24667E-02 ppm1 8.861 ppm2 5.747 CV 1 ASSI { 148} (( segid " A" and resid 257 and name HN )) (( segid " A" and resid 256 and name HA )) 2.300 0.600 0.600 peak 148 spectrum 1 weight 0.10000E+01 volume 0.76524E-02 ppm1 8.860 ppm2 5.051 CV 1 ASSI { 149} (( segid " A" and resid 115 and name HN )) (( segid " A" and resid 114 and name HA )) 2.300 0.600 0.600 peak 149 spectrum 1 weight 0.10000E+01 volume 0.91098E-02 ppm1 8.841 ppm2 4.735 CV 1 ASSI { 150} (( segid " A" and resid 115 and name HN )) (( segid " A" and resid 115 and name HA )) 3.200 1.300 1.300 peak 150 spectrum 1 weight 0.10000E+01 volume 0.18566E-02 ppm1 8.852 ppm2 4.517 CV 1 ASSI { 151} (( segid " A" and resid 257 and name HN )) (( segid " A" and resid 257 and name HB2 )) 2.500 0.800 0.800 peak 151 spectrum 1 weight 0.10000E+01 volume 0.36599E-02 ppm1 8.861 ppm2 3.601 CV 1 ASSI { 152} (( segid " A" and resid 257 and name HN )) (( segid " A" and resid 257 and name HB1 )) 3.700 1.700 1.700 peak 152 spectrum 1 weight 0.10000E+01 volume 0.30468E-02 ppm1 8.863 ppm2 2.788 CV 1 ASSI { 153} (( segid " A" and resid 257 and name HN )) (( segid " A" and resid 209 and name HB1 )) 3.400 1.400 1.400 peak 153 spectrum 1 weight 0.10000E+01 volume 0.23122E-02 ppm1 8.866 ppm2 2.665 CV 1 ASSI { 154} (( segid " A" and resid 115 and name HN )) (( segid " A" and resid 115 and name HB2 )) 2.900 1.000 1.000 peak 154 spectrum 1 weight 0.10000E+01 volume 0.36694E-02 ppm1 8.838 ppm2 2.405 CV 1 ASSI { 155} (( segid " A" and resid 115 and name HN )) (( segid " A" and resid 114 and name HB )) 3.900 1.900 1.900 peak 155 spectrum 1 weight 0.10000E+01 volume 0.40726E-02 ppm1 8.846 ppm2 2.127 CV 1 ASSI { 157} (( segid " A" and resid 115 and name HN )) ( segid " A" and resid 114 and name HG2%) 3.200 1.300 1.300 peak 157 spectrum 1 weight 0.10000E+01 volume 0.35255E-02 ppm1 8.840 ppm2 0.957 CV 1 ASSI { 158} (( segid " A" and resid 212 and name HN )) (( segid " A" and resid 211 and name HA )) 2.300 0.700 0.700 peak 158 spectrum 1 weight 0.10000E+01 volume 0.84448E-02 ppm1 9.183 ppm2 5.097 CV 1 ASSI { 159} (( segid " A" and resid 212 and name HN )) (( segid " A" and resid 284 and name HA )) 3.600 1.600 1.600 peak 159 spectrum 1 weight 0.10000E+01 volume 0.23014E-02 ppm1 9.184 ppm2 4.462 CV 1 ASSI { 160} (( segid " A" and resid 212 and name HN )) (( segid " A" and resid 212 and name HB2 )) 3.200 1.300 1.300 peak 160 spectrum 1 weight 0.10000E+01 volume 0.32968E-02 ppm1 9.183 ppm2 2.553 CV 1 ASSI { 161} (( segid " A" and resid 212 and name HN )) (( segid " A" and resid 212 and name HB1 )) 2.600 0.800 0.800 peak 161 spectrum 1 weight 0.10000E+01 volume 0.43627E-02 ppm1 9.184 ppm2 2.354 CV 1 ASSI { 162} (( segid " A" and resid 212 and name HN )) (( segid " A" and resid 211 and name HB )) 2.400 0.700 0.700 peak 162 spectrum 1 weight 0.10000E+01 volume 0.64568E-02 ppm1 9.184 ppm2 2.015 CV 1 ASSI { 163} (( segid " A" and resid 212 and name HN )) ( segid " A" and resid 267 and name HG2%) 3.500 1.500 1.500 peak 163 spectrum 1 weight 0.10000E+01 volume 0.46410E-02 ppm1 9.184 ppm2 1.025 CV 1 OR { 163} (( segid " A" and resid 212 and name HN )) ( segid " A" and resid 168 and name HD2%) ASSI { 164} (( segid " A" and resid 212 and name HN )) ( segid " A" and resid 211 and name HD1%) 4.100 2.100 1.900 peak 164 spectrum 1 weight 0.10000E+01 volume 0.21917E-02 ppm1 9.185 ppm2 0.775 CV 1 OR { 164} (( segid " A" and resid 212 and name HN )) (( segid " A" and resid 164 and name HB1 )) ASSI { 165} (( segid " A" and resid 212 and name HN )) (( segid " A" and resid 212 and name HA )) 3.000 1.100 1.100 peak 165 spectrum 1 weight 0.10000E+01 volume 0.24148E-02 ppm1 9.187 ppm2 4.746 CV 1 ASSI { 167} (( segid " A" and resid 158 and name HN )) (( segid " A" and resid 157 and name HA )) 2.200 0.600 0.600 peak 167 spectrum 1 weight 0.10000E+01 volume 0.11503E-01 ppm1 8.914 ppm2 5.484 CV 1 ASSI { 168} (( segid " A" and resid 158 and name HN )) (( segid " A" and resid 158 and name HA )) 3.000 1.100 1.100 peak 168 spectrum 1 weight 0.10000E+01 volume 0.22049E-02 ppm1 8.913 ppm2 4.117 CV 1 ASSI { 169} (( segid " A" and resid 158 and name HN )) (( segid " A" and resid 157 and name HB1 )) 3.500 1.500 1.500 peak 169 spectrum 1 weight 0.10000E+01 volume 0.17630E-02 ppm1 8.913 ppm2 2.954 CV 1 ASSI { 170} (( segid " A" and resid 158 and name HN )) (( segid " A" and resid 157 and name HB2 )) 4.100 2.100 1.900 peak 170 spectrum 1 weight 0.10000E+01 volume 0.22507E-02 ppm1 8.912 ppm2 2.757 CV 1 ASSI { 171} (( segid " A" and resid 158 and name HN )) (( segid " A" and resid 158 and name HB )) 2.400 0.700 0.700 peak 171 spectrum 1 weight 0.10000E+01 volume 0.59946E-02 ppm1 8.916 ppm2 1.460 CV 1 ASSI { 172} (( segid " A" and resid 158 and name HN )) ( segid " A" and resid 114 and name HG1%) 3.200 1.300 1.300 peak 172 spectrum 1 weight 0.10000E+01 volume 0.31836E-02 ppm1 8.913 ppm2 0.921 CV 1 ASSI { 173} (( segid " A" and resid 158 and name HN )) ( segid " A" and resid 116 and name HG1%) 3.500 1.600 1.600 peak 173 spectrum 1 weight 0.10000E+01 volume 0.18352E-02 ppm1 8.914 ppm2 0.315 CV 1 ASSI { 174} (( segid " A" and resid 158 and name HN )) ( segid " A" and resid 158 and name HG1%) 4.000 2.000 2.000 peak 174 spectrum 1 weight 0.10000E+01 volume 0.22773E-02 ppm1 8.911 ppm2 0.163 CV 1 ASSI { 175} (( segid " A" and resid 158 and name HN )) ( segid " A" and resid 158 and name HG2%) 2.900 1.100 1.100 peak 175 spectrum 1 weight 0.10000E+01 volume 0.39807E-02 ppm1 8.915 ppm2 0.057 CV 1 ASSI { 176} (( segid " A" and resid 213 and name HN )) (( segid " A" and resid 253 and name HN )) 2.800 1.000 1.000 peak 176 spectrum 1 weight 0.10000E+01 volume 0.35468E-02 ppm1 7.711 ppm2 8.826 CV 1 ASSI { 177} (( segid " A" and resid 213 and name HN )) ( segid " A" and resid 254 and name HD% ) 4.200 2.200 1.800 peak 177 spectrum 1 weight 0.10000E+01 volume 0.16798E-02 ppm1 7.712 ppm2 7.298 CV 1 ASSI { 179} (( segid " A" and resid 213 and name HN )) (( segid " A" and resid 254 and name HA )) 3.300 1.300 1.300 peak 179 spectrum 1 weight 0.10000E+01 volume 0.29926E-02 ppm1 7.711 ppm2 5.789 CV 1 ASSI { 180} (( segid " A" and resid 213 and name HN )) (( segid " A" and resid 212 and name HA )) 2.100 0.500 0.500 peak 180 spectrum 1 weight 0.10000E+01 volume 0.16783E-01 ppm1 7.711 ppm2 4.738 CV 1 ASSI { 181} (( segid " A" and resid 213 and name HN )) (( segid " A" and resid 213 and name HA )) 2.700 0.900 0.900 peak 181 spectrum 1 weight 0.10000E+01 volume 0.45018E-02 ppm1 7.712 ppm2 4.590 CV 1 ASSI { 182} (( segid " A" and resid 213 and name HN )) (( segid " A" and resid 212 and name HB2 )) 4.000 2.000 2.000 peak 182 spectrum 1 weight 0.10000E+01 volume 0.22587E-02 ppm1 7.712 ppm2 2.553 CV 1 ASSI { 183} (( segid " A" and resid 213 and name HN )) (( segid " A" and resid 212 and name HB1 )) 4.000 2.000 2.000 peak 183 spectrum 1 weight 0.10000E+01 volume 0.19236E-02 ppm1 7.708 ppm2 2.354 CV 1 ASSI { 184} (( segid " A" and resid 213 and name HN )) (( segid " A" and resid 213 and name HB )) 3.200 1.300 1.300 peak 184 spectrum 1 weight 0.10000E+01 volume 0.66242E-02 ppm1 7.710 ppm2 1.276 CV 1 OR { 184} (( segid " A" and resid 213 and name HN )) ( segid " A" and resid 214 and name HB% ) ASSI { 185} (( segid " A" and resid 213 and name HN )) ( segid " A" and resid 282 and name HG2%) 3.800 1.800 1.800 peak 185 spectrum 1 weight 0.10000E+01 volume 0.20175E-02 ppm1 7.713 ppm2 1.062 CV 1 OR { 185} (( segid " A" and resid 213 and name HN )) (( segid " A" and resid 211 and name HG11)) OR { 185} (( segid " A" and resid 213 and name HN )) ( segid " A" and resid 168 and name HD2%) OR { 185} (( segid " A" and resid 213 and name HN )) (( segid " A" and resid 255 and name HG11)) ASSI { 186} (( segid " A" and resid 213 and name HN )) ( segid " A" and resid 213 and name HG1%) 2.800 1.000 1.000 peak 186 spectrum 1 weight 0.10000E+01 volume 0.48721E-02 ppm1 7.711 ppm2 0.386 CV 1 ASSI { 187} (( segid " A" and resid 143 and name HN )) (( segid " A" and resid 142 and name HA )) 2.600 0.900 0.900 peak 187 spectrum 1 weight 0.10000E+01 volume 0.63577E-02 ppm1 8.614 ppm2 5.047 CV 1 ASSI { 188} (( segid " A" and resid 280 and name HN )) (( segid " A" and resid 279 and name HA )) 2.200 0.600 0.600 peak 188 spectrum 1 weight 0.10000E+01 volume 0.97158E-02 ppm1 9.181 ppm2 4.804 CV 1 ASSI { 189} (( segid " A" and resid 143 and name HN )) (( segid " A" and resid 143 and name HA )) 3.300 1.400 1.400 peak 189 spectrum 1 weight 0.10000E+01 volume 0.16484E-02 ppm1 8.614 ppm2 4.434 CV 1 ASSI { 190} (( segid " A" and resid 280 and name HN )) (( segid " A" and resid 279 and name HB1 )) 3.200 1.300 1.300 peak 190 spectrum 1 weight 0.10000E+01 volume 0.25115E-02 ppm1 9.185 ppm2 2.581 CV 1 ASSI { 191} (( segid " A" and resid 280 and name HN )) (( segid " A" and resid 280 and name HG )) 2.400 0.700 0.700 peak 191 spectrum 1 weight 0.10000E+01 volume 0.72869E-02 ppm1 9.182 ppm2 2.262 CV 1 ASSI { 192} (( segid " A" and resid 143 and name HN )) (( segid " A" and resid 143 and name HB1 )) 3.300 1.400 1.400 peak 192 spectrum 1 weight 0.10000E+01 volume 0.20764E-02 ppm1 8.612 ppm2 1.684 CV 1 OR { 192} (( segid " A" and resid 143 and name HN )) (( segid " A" and resid 143 and name HB2 )) ASSI { 193} (( segid " A" and resid 280 and name HN )) (( segid " A" and resid 280 and name HB1 )) 4.000 2.000 2.000 peak 193 spectrum 1 weight 0.10000E+01 volume 0.19934E-02 ppm1 9.189 ppm2 1.403 CV 1 ASSI { 194} (( segid " A" and resid 280 and name HN )) ( segid " A" and resid 280 and name HD1%) 3.700 1.700 1.700 peak 194 spectrum 1 weight 0.10000E+01 volume 0.33109E-02 ppm1 9.187 ppm2 1.073 CV 1 ASSI { 195} (( segid " A" and resid 280 and name HN )) ( segid " A" and resid 280 and name HD2%) 3.800 1.900 1.900 peak 195 spectrum 1 weight 0.10000E+01 volume 0.31742E-02 ppm1 9.186 ppm2 0.896 CV 1 ASSI { 197} (( segid " A" and resid 243 and name HN )) (( segid " A" and resid 249 and name HA )) 3.100 1.200 1.200 peak 197 spectrum 1 weight 0.10000E+01 volume 0.35892E-02 ppm1 8.453 ppm2 5.396 CV 1 ASSI { 198} (( segid " A" and resid 272 and name HN )) (( segid " A" and resid 281 and name HA )) 3.100 1.200 1.200 peak 198 spectrum 1 weight 0.10000E+01 volume 0.17951E-02 ppm1 9.191 ppm2 5.269 CV 1 ASSI { 199} (( segid " A" and resid 243 and name HN )) (( segid " A" and resid 243 and name HA )) 2.900 1.100 1.100 peak 199 spectrum 1 weight 0.10000E+01 volume 0.36859E-02 ppm1 8.456 ppm2 4.939 CV 1 ASSI { 200} (( segid " A" and resid 243 and name HN )) (( segid " A" and resid 242 and name HA )) 2.300 0.700 0.700 peak 200 spectrum 1 weight 0.10000E+01 volume 0.90886E-02 ppm1 8.455 ppm2 4.743 CV 1 ASSI { 201} (( segid " A" and resid 272 and name HN )) (( segid " A" and resid 272 and name HA )) 2.200 0.600 0.600 peak 201 spectrum 1 weight 0.10000E+01 volume 0.80368E-02 ppm1 9.193 ppm2 3.926 CV 1 ASSI { 202} (( segid " A" and resid 243 and name HN )) (( segid " A" and resid 243 and name HB1 )) 3.500 1.500 1.500 peak 202 spectrum 1 weight 0.10000E+01 volume 0.59710E-02 ppm1 8.455 ppm2 3.184 CV 1 ASSI { 203} (( segid " A" and resid 272 and name HN )) (( segid " A" and resid 271 and name HB2 )) 4.400 2.400 1.600 peak 203 spectrum 1 weight 0.10000E+01 volume 0.18460E-02 ppm1 9.191 ppm2 2.998 CV 1 ASSI { 204} (( segid " A" and resid 243 and name HN )) (( segid " A" and resid 242 and name HD1 )) 4.300 2.300 1.700 peak 204 spectrum 1 weight 0.10000E+01 volume 0.14930E-02 ppm1 8.467 ppm2 3.007 CV 1 OR { 204} (( segid " A" and resid 226 and name HN )) (( segid " A" and resid 224 and name HB1 )) ASSI { 205} (( segid " A" and resid 280 and name HN )) (( segid " A" and resid 279 and name HB2 )) 4.300 2.300 1.700 peak 205 spectrum 1 weight 0.10000E+01 volume 0.16368E-02 ppm1 9.187 ppm2 2.761 CV 1 ASSI { 206} (( segid " A" and resid 243 and name HN )) (( segid " A" and resid 243 and name HB2 )) 2.500 0.800 0.800 peak 206 spectrum 1 weight 0.10000E+01 volume 0.63813E-02 ppm1 8.455 ppm2 2.437 CV 1 ASSI { 207} (( segid " A" and resid 272 and name HN )) (( segid " A" and resid 272 and name HB2 )) 3.500 1.600 1.600 peak 207 spectrum 1 weight 0.10000E+01 volume 0.19719E-02 ppm1 9.180 ppm2 2.037 CV 1 ASSI { 208} (( segid " A" and resid 243 and name HN )) (( segid " A" and resid 242 and name HB1 )) 3.100 1.200 1.200 peak 208 spectrum 1 weight 0.10000E+01 volume 0.38250E-02 ppm1 8.454 ppm2 1.637 CV 1 ASSI { 209} (( segid " A" and resid 272 and name HN )) (( segid " A" and resid 272 and name HB1 )) 3.700 1.700 1.700 peak 209 spectrum 1 weight 0.10000E+01 volume 0.35751E-02 ppm1 9.190 ppm2 1.537 CV 1 ASSI { 210} (( segid " A" and resid 243 and name HN )) (( segid " A" and resid 242 and name HB2 )) 3.000 1.100 1.100 peak 210 spectrum 1 weight 0.10000E+01 volume 0.68813E-02 ppm1 8.455 ppm2 1.377 CV 1 ASSI { 211} (( segid " A" and resid 272 and name HN )) ( segid " A" and resid 272 and name HD2%) 3.300 1.300 1.300 peak 211 spectrum 1 weight 0.10000E+01 volume 0.35680E-02 ppm1 9.187 ppm2 0.745 CV 1 ASSI { 212} (( segid " A" and resid 226 and name HN )) (( segid " A" and resid 227 and name HN )) 2.700 0.900 0.900 peak 212 spectrum 1 weight 0.10000E+01 volume 0.43085E-02 ppm1 8.490 ppm2 7.832 CV 1 ASSI { 213} (( segid " A" and resid 226 and name HN )) (( segid " A" and resid 225 and name HN )) 2.500 0.800 0.800 peak 213 spectrum 1 weight 0.10000E+01 volume 0.47353E-02 ppm1 8.488 ppm2 7.367 CV 1 ASSI { 214} (( segid " A" and resid 226 and name HN )) (( segid " A" and resid 223 and name HA )) 3.000 1.200 1.200 peak 214 spectrum 1 weight 0.10000E+01 volume 0.46197E-02 ppm1 8.487 ppm2 4.421 CV 1 ASSI { 215} (( segid " A" and resid 226 and name HN )) (( segid " A" and resid 225 and name HA )) 3.100 1.200 1.200 peak 215 spectrum 1 weight 0.10000E+01 volume 0.26836E-02 ppm1 8.487 ppm2 3.979 CV 1 ASSI { 216} (( segid " A" and resid 226 and name HN )) (( segid " A" and resid 226 and name HA )) 2.500 0.800 0.800 peak 216 spectrum 1 weight 0.10000E+01 volume 0.62681E-02 ppm1 8.488 ppm2 3.727 CV 1 ASSI { 217} (( segid " A" and resid 226 and name HN )) (( segid " A" and resid 226 and name HB2 )) 2.100 0.600 0.600 peak 217 spectrum 1 weight 0.10000E+01 volume 0.11685E-01 ppm1 8.490 ppm2 2.027 CV 1 ASSI { 218} (( segid " A" and resid 226 and name HN )) (( segid " A" and resid 225 and name HB )) 2.400 0.700 0.700 peak 218 spectrum 1 weight 0.10000E+01 volume 0.70841E-02 ppm1 8.489 ppm2 1.912 CV 1 ASSI { 219} (( segid " A" and resid 226 and name HN )) (( segid " A" and resid 226 and name HD1 )) 4.400 2.400 1.600 peak 219 spectrum 1 weight 0.10000E+01 volume 0.24172E-02 ppm1 8.485 ppm2 1.710 CV 1 OR { 219} (( segid " A" and resid 226 and name HN )) (( segid " A" and resid 226 and name HD2 )) ASSI { 220} (( segid " A" and resid 226 and name HN )) ( segid " A" and resid 225 and name HG2%) 3.200 1.300 1.300 peak 220 spectrum 1 weight 0.10000E+01 volume 0.43934E-02 ppm1 8.488 ppm2 0.658 CV 1 ASSI { 222} (( segid " A" and resid 198 and name HN )) (( segid " A" and resid 197 and name HN )) 2.600 0.800 0.800 peak 222 spectrum 1 weight 0.10000E+01 volume 0.43721E-02 ppm1 7.989 ppm2 7.168 CV 1 ASSI { 223} (( segid " A" and resid 177 and name HN )) (( segid " A" and resid 177 and name HA )) 2.600 0.800 0.800 peak 223 spectrum 1 weight 0.10000E+01 volume 0.57588E-02 ppm1 8.282 ppm2 4.632 CV 1 ASSI { 224} (( segid " A" and resid 177 and name HN )) (( segid " A" and resid 176 and name HA )) 2.400 0.700 0.700 peak 224 spectrum 1 weight 0.10000E+01 volume 0.11322E-01 ppm1 8.283 ppm2 4.077 CV 1 ASSI { 225} (( segid " A" and resid 198 and name HN )) (( segid " A" and resid 197 and name HA )) 2.900 1.100 1.100 peak 225 spectrum 1 weight 0.10000E+01 volume 0.44429E-02 ppm1 7.990 ppm2 3.901 CV 1 ASSI { 226} (( segid " A" and resid 198 and name HN )) (( segid " A" and resid 198 and name HA )) 2.800 1.000 1.000 peak 226 spectrum 1 weight 0.10000E+01 volume 0.43556E-02 ppm1 7.988 ppm2 3.571 CV 1 ASSI { 227} (( segid " A" and resid 177 and name HN )) (( segid " A" and resid 177 and name HG1 )) 3.900 1.900 1.900 peak 227 spectrum 1 weight 0.10000E+01 volume 0.18729E-02 ppm1 8.290 ppm2 2.350 CV 1 ASSI { 228} (( segid " A" and resid 177 and name HN )) (( segid " A" and resid 176 and name HB )) 2.700 0.900 0.900 peak 228 spectrum 1 weight 0.10000E+01 volume 0.33392E-02 ppm1 8.283 ppm2 2.095 CV 1 ASSI { 229} (( segid " A" and resid 198 and name HN )) (( segid " A" and resid 198 and name HB )) 2.300 0.700 0.700 peak 229 spectrum 1 weight 0.10000E+01 volume 0.91640E-02 ppm1 7.988 ppm2 2.020 CV 1 OR { 229} (( segid " A" and resid 198 and name HN )) (( segid " A" and resid 197 and name HB )) ASSI { 230} (( segid " A" and resid 177 and name HN )) (( segid " A" and resid 177 and name HB1 )) 2.400 0.700 0.700 peak 230 spectrum 1 weight 0.10000E+01 volume 0.53814E-02 ppm1 8.284 ppm2 1.941 CV 1 ASSI { 231} (( segid " A" and resid 177 and name HN )) (( segid " A" and resid 177 and name HB2 )) 3.100 1.200 1.200 peak 231 spectrum 1 weight 0.10000E+01 volume 0.38698E-02 ppm1 8.282 ppm2 1.806 CV 1 ASSI { 232} (( segid " A" and resid 198 and name HN )) (( segid " A" and resid 198 and name HG12)) 3.200 1.300 1.300 peak 232 spectrum 1 weight 0.10000E+01 volume 0.56078E-02 ppm1 7.988 ppm2 1.657 CV 1 ASSI { 233} (( segid " A" and resid 198 and name HN )) ( segid " A" and resid 107 and name HB% ) 3.500 1.500 1.500 peak 233 spectrum 1 weight 0.10000E+01 volume 0.33227E-02 ppm1 7.989 ppm2 1.489 CV 1 OR { 233} (( segid " A" and resid 198 and name HN )) (( segid " A" and resid 197 and name HG12)) ASSI { 234} (( segid " A" and resid 198 and name HN )) (( segid " A" and resid 198 and name HG11)) 2.500 0.800 0.800 peak 234 spectrum 1 weight 0.10000E+01 volume 0.34713E-02 ppm1 7.988 ppm2 1.242 CV 1 ASSI { 235} (( segid " A" and resid 177 and name HN )) ( segid " A" and resid 176 and name HG1%) 4.300 2.300 1.700 peak 235 spectrum 1 weight 0.10000E+01 volume 0.28157E-02 ppm1 8.285 ppm2 1.048 CV 1 ASSI { 236} (( segid " A" and resid 198 and name HN )) ( segid " A" and resid 198 and name HG2%) 3.900 1.900 1.900 peak 236 spectrum 1 weight 0.10000E+01 volume 0.42236E-02 ppm1 7.990 ppm2 0.933 CV 1 ASSI { 237} (( segid " A" and resid 177 and name HN )) ( segid " A" and resid 176 and name HG2%) 3.500 1.500 1.500 peak 237 spectrum 1 weight 0.10000E+01 volume 0.45278E-02 ppm1 8.282 ppm2 0.917 CV 1 ASSI { 238} (( segid " A" and resid 198 and name HN )) ( segid " A" and resid 198 and name HD1%) 4.000 2.000 2.000 peak 238 spectrum 1 weight 0.10000E+01 volume 0.35798E-02 ppm1 7.987 ppm2 0.770 CV 1 ASSI { 239} (( segid " A" and resid 255 and name HN )) (( segid " A" and resid 211 and name HN )) 2.800 1.000 1.000 peak 239 spectrum 1 weight 0.10000E+01 volume 0.22747E-02 ppm1 8.748 ppm2 9.531 CV 1 ASSI { 240} (( segid " A" and resid 255 and name HN )) ( segid " A" and resid 254 and name HD% ) 3.800 1.800 1.800 peak 240 spectrum 1 weight 0.10000E+01 volume 0.23606E-02 ppm1 8.748 ppm2 7.299 CV 1 ASSI { 241} (( segid " A" and resid 255 and name HN )) (( segid " A" and resid 254 and name HA )) 2.200 0.600 0.600 peak 241 spectrum 1 weight 0.10000E+01 volume 0.11838E-01 ppm1 8.744 ppm2 5.782 CV 1 ASSI { 242} (( segid " A" and resid 255 and name HN )) (( segid " A" and resid 212 and name HA )) 3.800 1.800 1.800 peak 242 spectrum 1 weight 0.10000E+01 volume 0.20068E-02 ppm1 8.745 ppm2 4.739 CV 1 ASSI { 243} (( segid " A" and resid 255 and name HN )) (( segid " A" and resid 255 and name HA )) 2.800 1.000 1.000 peak 243 spectrum 1 weight 0.10000E+01 volume 0.26035E-02 ppm1 8.747 ppm2 4.610 CV 1 ASSI { 244} (( segid " A" and resid 255 and name HN )) (( segid " A" and resid 254 and name HB1 )) 2.700 0.900 0.900 peak 244 spectrum 1 weight 0.10000E+01 volume 0.42165E-02 ppm1 8.747 ppm2 2.782 CV 1 OR { 244} (( segid " A" and resid 255 and name HN )) (( segid " A" and resid 254 and name HB2 )) ASSI { 245} (( segid " A" and resid 255 and name HN )) (( segid " A" and resid 255 and name HB )) 2.600 0.800 0.800 peak 245 spectrum 1 weight 0.10000E+01 volume 0.51008E-02 ppm1 8.745 ppm2 1.261 CV 1 ASSI { 246} (( segid " A" and resid 255 and name HN )) (( segid " A" and resid 255 and name HG11)) 2.700 0.900 0.900 peak 246 spectrum 1 weight 0.10000E+01 volume 0.39429E-02 ppm1 8.748 ppm2 1.068 CV 1 ASSI { 247} (( segid " A" and resid 255 and name HN )) (( segid " A" and resid 255 and name HG12)) 3.800 1.800 1.800 peak 247 spectrum 1 weight 0.10000E+01 volume 0.20229E-02 ppm1 8.751 ppm2 0.625 CV 1 ASSI { 248} (( segid " A" and resid 255 and name HN )) ( segid " A" and resid 255 and name HG2%) 4.000 2.000 2.000 peak 248 spectrum 1 weight 0.10000E+01 volume 0.17790E-02 ppm1 8.748 ppm2 0.248 CV 1 ASSI { 249} (( segid " A" and resid 255 and name HN )) ( segid " A" and resid 255 and name HD1%) 4.200 2.200 1.800 peak 249 spectrum 1 weight 0.10000E+01 volume 0.18675E-02 ppm1 8.748 ppm2 -0.098 CV 1 ASSI { 250} (( segid " A" and resid 266 and name HN )) (( segid " A" and resid 265 and name HN )) 2.800 1.000 1.000 peak 250 spectrum 1 weight 0.10000E+01 volume 0.50018E-02 ppm1 7.957 ppm2 8.225 CV 1 ASSI { 251} (( segid " A" and resid 266 and name HN )) (( segid " A" and resid 267 and name HN )) 2.600 0.800 0.800 peak 251 spectrum 1 weight 0.10000E+01 volume 0.54192E-02 ppm1 7.958 ppm2 7.570 CV 1 ASSI { 253} (( segid " A" and resid 266 and name HN )) (( segid " A" and resid 265 and name HA )) 3.400 1.400 1.400 peak 253 spectrum 1 weight 0.10000E+01 volume 0.32025E-02 ppm1 7.954 ppm2 4.287 CV 1 ASSI { 254} (( segid " A" and resid 266 and name HN )) (( segid " A" and resid 263 and name HA )) 3.000 1.100 1.100 peak 254 spectrum 1 weight 0.10000E+01 volume 0.28086E-02 ppm1 7.957 ppm2 3.750 CV 1 ASSI { 255} (( segid " A" and resid 266 and name HN )) (( segid " A" and resid 269 and name HB2 )) 3.600 1.600 1.600 peak 255 spectrum 1 weight 0.10000E+01 volume 0.25186E-02 ppm1 7.958 ppm2 3.493 CV 1 OR { 255} (( segid " A" and resid 266 and name HN )) (( segid " A" and resid 232 and name HB1 )) ASSI { 256} (( segid " A" and resid 266 and name HN )) (( segid " A" and resid 265 and name HB2 )) 2.500 0.800 0.800 peak 256 spectrum 1 weight 0.10000E+01 volume 0.62516E-02 ppm1 7.957 ppm2 2.729 CV 1 ASSI { 257} (( segid " A" and resid 266 and name HN )) (( segid " A" and resid 266 and name HA )) 2.600 0.800 0.800 peak 257 spectrum 1 weight 0.10000E+01 volume 0.74803E-02 ppm1 7.958 ppm2 2.359 CV 1 ASSI { 258} (( segid " A" and resid 266 and name HN )) (( segid " A" and resid 267 and name HB )) 3.800 1.900 1.900 peak 258 spectrum 1 weight 0.10000E+01 volume 0.21648E-02 ppm1 7.957 ppm2 2.099 CV 1 OR { 258} (( segid " A" and resid 266 and name HN )) (( segid " A" and resid 264 and name HB1 )) ASSI { 259} (( segid " A" and resid 266 and name HN )) ( segid " A" and resid 266 and name HB% ) 2.200 0.600 0.600 peak 259 spectrum 1 weight 0.10000E+01 volume 0.16184E-01 ppm1 7.957 ppm2 1.361 CV 1 ASSI { 260} (( segid " A" and resid 266 and name HN )) ( segid " A" and resid 267 and name HG2%) 3.800 1.800 1.800 peak 260 spectrum 1 weight 0.10000E+01 volume 0.33864E-02 ppm1 7.958 ppm2 1.022 CV 1 OR { 260} (( segid " A" and resid 266 and name HN )) ( segid " A" and resid 211 and name HG2%) ASSI { 261} (( segid " A" and resid 200 and name HN )) (( segid " A" and resid 201 and name HN )) 2.500 0.800 0.800 peak 261 spectrum 1 weight 0.10000E+01 volume 0.75463E-02 ppm1 7.669 ppm2 8.660 CV 1 ASSI { 262} (( segid " A" and resid 164 and name HN )) (( segid " A" and resid 165 and name HN )) 2.900 1.000 1.000 peak 262 spectrum 1 weight 0.10000E+01 volume 0.36599E-02 ppm1 9.468 ppm2 6.353 CV 1 ASSI { 263} (( segid " A" and resid 156 and name HN )) (( segid " A" and resid 155 and name HA )) 2.800 1.000 1.000 peak 263 spectrum 1 weight 0.10000E+01 volume 0.37661E-02 ppm1 9.105 ppm2 5.538 CV 1 ASSI { 264} (( segid " A" and resid 282 and name HN )) (( segid " A" and resid 282 and name HA )) 2.800 1.000 1.000 peak 264 spectrum 1 weight 0.10000E+01 volume 0.31529E-02 ppm1 8.773 ppm2 5.409 CV 1 ASSI { 265} (( segid " A" and resid 156 and name HN )) (( segid " A" and resid 156 and name HA )) 3.300 1.300 1.300 peak 265 spectrum 1 weight 0.10000E+01 volume 0.19399E-02 ppm1 9.102 ppm2 4.797 CV 1 ASSI { 266} (( segid " A" and resid 282 and name HN )) (( segid " A" and resid 271 and name HA )) 2.700 0.900 0.900 peak 266 spectrum 1 weight 0.10000E+01 volume 0.46032E-02 ppm1 8.776 ppm2 4.462 CV 1 ASSI { 267} (( segid " A" and resid 200 and name HN )) (( segid " A" and resid 199 and name HA )) 3.300 1.400 1.400 peak 267 spectrum 1 weight 0.10000E+01 volume 0.29926E-02 ppm1 7.668 ppm2 4.432 CV 1 ASSI { 268} (( segid " A" and resid 164 and name HN )) (( segid " A" and resid 163 and name HA )) 3.200 1.300 1.300 peak 268 spectrum 1 weight 0.10000E+01 volume 0.17470E-02 ppm1 9.465 ppm2 4.167 CV 1 ASSI { 269} (( segid " A" and resid 200 and name HN )) (( segid " A" and resid 200 and name HA )) 2.600 0.900 0.900 peak 269 spectrum 1 weight 0.10000E+01 volume 0.83386E-02 ppm1 7.669 ppm2 4.156 CV 1 ASSI { 270} (( segid " A" and resid 164 and name HN )) (( segid " A" and resid 163 and name HD1 )) 4.000 2.000 2.000 peak 270 spectrum 1 weight 0.10000E+01 volume 0.20578E-02 ppm1 9.467 ppm2 4.047 CV 1 ASSI { 271} (( segid " A" and resid 200 and name HN )) (( segid " A" and resid 197 and name HA )) 2.900 1.100 1.100 peak 271 spectrum 1 weight 0.10000E+01 volume 0.46905E-02 ppm1 7.668 ppm2 3.913 CV 1 ASSI { 272} (( segid " A" and resid 164 and name HN )) (( segid " A" and resid 163 and name HD2 )) 3.100 1.200 1.200 peak 272 spectrum 1 weight 0.10000E+01 volume 0.18861E-02 ppm1 9.467 ppm2 3.634 CV 1 ASSI { 273} (( segid " A" and resid 164 and name HN )) (( segid " A" and resid 164 and name HA )) 2.900 1.000 1.000 peak 273 spectrum 1 weight 0.10000E+01 volume 0.35751E-02 ppm1 9.467 ppm2 3.336 CV 1 ASSI { 274} (( segid " A" and resid 282 and name HN )) (( segid " A" and resid 281 and name HD1 )) 4.300 2.300 1.700 peak 274 spectrum 1 weight 0.10000E+01 volume 0.17845E-02 ppm1 8.776 ppm2 3.187 CV 1 ASSI { 275} (( segid " A" and resid 156 and name HN )) (( segid " A" and resid 155 and name HB2 )) 3.200 1.300 1.300 peak 275 spectrum 1 weight 0.10000E+01 volume 0.25162E-02 ppm1 9.106 ppm2 2.799 CV 1 ASSI { 276} (( segid " A" and resid 200 and name HN )) (( segid " A" and resid 199 and name HB2 )) 3.700 1.700 1.700 peak 276 spectrum 1 weight 0.10000E+01 volume 0.49853E-02 ppm1 7.665 ppm2 2.739 CV 1 ASSI { 277} (( segid " A" and resid 200 and name HN )) (( segid " A" and resid 200 and name HG1 )) 4.100 2.100 1.900 peak 277 spectrum 1 weight 0.10000E+01 volume 0.34501E-02 ppm1 7.668 ppm2 2.578 CV 1 ASSI { 278} (( segid " A" and resid 164 and name HN )) (( segid " A" and resid 164 and name HG2 )) 3.300 1.400 1.400 peak 278 spectrum 1 weight 0.10000E+01 volume 0.18111E-02 ppm1 9.466 ppm2 2.388 CV 1 ASSI { 279} (( segid " A" and resid 200 and name HN )) (( segid " A" and resid 200 and name HB1 )) 2.300 0.700 0.700 peak 279 spectrum 1 weight 0.10000E+01 volume 0.12975E-01 ppm1 7.669 ppm2 2.268 CV 1 ASSI { 280} (( segid " A" and resid 164 and name HN )) (( segid " A" and resid 163 and name HB2 )) 3.300 1.300 1.300 peak 280 spectrum 1 weight 0.10000E+01 volume 0.22639E-02 ppm1 9.464 ppm2 2.173 CV 1 ASSI { 281} (( segid " A" and resid 164 and name HN )) (( segid " A" and resid 163 and name HG1 )) 3.900 1.900 1.900 peak 281 spectrum 1 weight 0.10000E+01 volume 0.32425E-02 ppm1 9.466 ppm2 2.020 CV 1 ASSI { 282} (( segid " A" and resid 164 and name HN )) (( segid " A" and resid 163 and name HG2 )) 3.000 1.100 1.100 peak 282 spectrum 1 weight 0.10000E+01 volume 0.18246E-02 ppm1 9.467 ppm2 1.904 CV 1 ASSI { 283} (( segid " A" and resid 164 and name HN )) (( segid " A" and resid 163 and name HB1 )) 3.800 1.800 1.800 peak 283 spectrum 1 weight 0.10000E+01 volume 0.24172E-02 ppm1 9.468 ppm2 1.718 CV 1 ASSI { 284} (( segid " A" and resid 156 and name HN )) (( segid " A" and resid 116 and name HB )) 3.700 1.700 1.700 peak 284 spectrum 1 weight 0.10000E+01 volume 0.16427E-02 ppm1 9.106 ppm2 1.604 CV 1 ASSI { 285} (( segid " A" and resid 164 and name HN )) ( segid " A" and resid 162 and name HG1%) 4.000 2.000 2.000 peak 285 spectrum 1 weight 0.10000E+01 volume 0.36175E-02 ppm1 9.465 ppm2 1.084 CV 1 ASSI { 286} (( segid " A" and resid 156 and name HN )) ( segid " A" and resid 156 and name HB% ) 3.100 1.200 1.200 peak 286 spectrum 1 weight 0.10000E+01 volume 0.27898E-02 ppm1 9.102 ppm2 0.866 CV 1 ASSI { 287} (( segid " A" and resid 200 and name HN )) ( segid " A" and resid 201 and name HD2%) 4.400 2.500 1.600 peak 287 spectrum 1 weight 0.10000E+01 volume 0.18729E-02 ppm1 7.674 ppm2 0.815 CV 1 OR { 287} (( segid " A" and resid 200 and name HN )) ( segid " A" and resid 201 and name HD1%) ASSI { 288} (( segid " A" and resid 164 and name HN )) (( segid " A" and resid 164 and name HB2 )) 2.400 0.700 0.700 peak 288 spectrum 1 weight 0.10000E+01 volume 0.88315E-02 ppm1 9.466 ppm2 0.763 CV 1 OR { 288} (( segid " A" and resid 164 and name HN )) (( segid " A" and resid 164 and name HB1 )) ASSI { 289} (( segid " A" and resid 164 and name HN )) ( segid " A" and resid 286 and name HG2%) 3.500 1.600 1.600 peak 289 spectrum 1 weight 0.10000E+01 volume 0.23530E-02 ppm1 9.469 ppm2 0.595 CV 1 ASSI { 290} (( segid " A" and resid 156 and name HN )) ( segid " A" and resid 119 and name HD1%) 3.200 1.300 1.300 peak 290 spectrum 1 weight 0.10000E+01 volume 0.25728E-02 ppm1 9.103 ppm2 0.278 CV 1 ASSI { 291} (( segid " A" and resid 282 and name HN )) (( segid " A" and resid 281 and name HA )) 2.200 0.600 0.600 peak 291 spectrum 1 weight 0.10000E+01 volume 0.94116E-02 ppm1 8.772 ppm2 5.263 CV 1 ASSI { 292} (( segid " A" and resid 282 and name HN )) (( segid " A" and resid 271 and name HB2 )) 3.900 1.900 1.900 peak 292 spectrum 1 weight 0.10000E+01 volume 0.17387E-02 ppm1 8.771 ppm2 2.995 CV 1 ASSI { 293} (( segid " A" and resid 282 and name HN )) (( segid " A" and resid 282 and name HB )) 2.700 0.900 0.900 peak 293 spectrum 1 weight 0.10000E+01 volume 0.58271E-02 ppm1 8.773 ppm2 1.813 CV 1 ASSI { 294} (( segid " A" and resid 282 and name HN )) (( segid " A" and resid 168 and name HB1 )) 3.500 3.500 2.500 peak 294 spectrum 1 weight 0.10000E+01 volume 0.16312E-02 ppm1 8.768 ppm2 1.569 CV 1 OR { 294} (( segid " A" and resid 282 and name HN )) (( segid " A" and resid 281 and name HG1 )) OR { 294} (( segid " A" and resid 282 and name HN )) (( segid " A" and resid 284 and name HG1 )) OR { 294} (( segid " A" and resid 282 and name HN )) (( segid " A" and resid 284 and name HG2 )) ASSI { 295} (( segid " A" and resid 282 and name HN )) ( segid " A" and resid 282 and name HG1%) 2.500 0.800 0.800 peak 295 spectrum 1 weight 0.10000E+01 volume 0.75227E-02 ppm1 8.774 ppm2 1.043 CV 1 OR { 295} (( segid " A" and resid 282 and name HN )) ( segid " A" and resid 282 and name HG2%) ASSI { 296} (( segid " A" and resid 185 and name HN )) (( segid " A" and resid 185 and name HA )) 3.100 1.200 1.200 peak 296 spectrum 1 weight 0.10000E+01 volume 0.23865E-02 ppm1 8.620 ppm2 5.373 CV 1 ASSI { 297} (( segid " A" and resid 185 and name HN )) (( segid " A" and resid 184 and name HA )) 2.300 0.600 0.600 peak 297 spectrum 1 weight 0.10000E+01 volume 0.13171E-01 ppm1 8.617 ppm2 4.971 CV 1 ASSI { 298} (( segid " A" and resid 185 and name HN )) (( segid " A" and resid 174 and name HA )) 3.300 1.400 1.400 peak 298 spectrum 1 weight 0.10000E+01 volume 0.24054E-02 ppm1 8.613 ppm2 4.497 CV 1 ASSI { 299} (( segid " A" and resid 185 and name HN )) (( segid " A" and resid 185 and name HB )) 2.900 1.000 1.000 peak 299 spectrum 1 weight 0.10000E+01 volume 0.39807E-02 ppm1 8.617 ppm2 1.922 CV 1 ASSI { 300} (( segid " A" and resid 185 and name HN )) (( segid " A" and resid 184 and name HB2 )) 4.000 2.000 2.000 peak 300 spectrum 1 weight 0.10000E+01 volume 0.31907E-02 ppm1 8.618 ppm2 1.760 CV 1 ASSI { 301} (( segid " A" and resid 185 and name HN )) (( segid " A" and resid 184 and name HB1 )) 3.900 1.900 1.900 peak 301 spectrum 1 weight 0.10000E+01 volume 0.19425E-02 ppm1 8.615 ppm2 1.619 CV 1 ASSI { 302} (( segid " A" and resid 185 and name HN )) ( segid " A" and resid 185 and name HG2%) 2.900 1.000 1.000 peak 302 spectrum 1 weight 0.10000E+01 volume 0.51150E-02 ppm1 8.619 ppm2 1.024 CV 1 OR { 302} (( segid " A" and resid 185 and name HN )) ( segid " A" and resid 185 and name HG1%) ASSI { 303} (( segid " A" and resid 128 and name HN )) (( segid " A" and resid 129 and name HN )) 2.800 1.000 1.000 peak 303 spectrum 1 weight 0.10000E+01 volume 0.31459E-02 ppm1 7.457 ppm2 8.906 CV 1 ASSI { 304} (( segid " A" and resid 231 and name HN )) (( segid " A" and resid 230 and name HN )) 2.600 0.800 0.800 peak 304 spectrum 1 weight 0.10000E+01 volume 0.52069E-02 ppm1 7.102 ppm2 8.775 CV 1 ASSI { 305} (( segid " A" and resid 107 and name HN )) (( segid " A" and resid 108 and name HN )) 3.100 1.200 1.200 peak 305 spectrum 1 weight 0.10000E+01 volume 0.19854E-02 ppm1 7.837 ppm2 8.172 CV 1 ASSI { 306} (( segid " A" and resid 169 and name HN )) (( segid " A" and resid 170 and name HN )) 2.600 0.900 0.900 peak 306 spectrum 1 weight 0.10000E+01 volume 0.50395E-02 ppm1 7.750 ppm2 8.010 CV 1 ASSI { 307} (( segid " A" and resid 239 and name HN )) (( segid " A" and resid 254 and name HN )) 3.100 1.200 1.200 peak 307 spectrum 1 weight 0.10000E+01 volume 0.25162E-02 ppm1 8.178 ppm2 7.836 CV 1 ASSI { 308} (( segid " A" and resid 169 and name HN )) (( segid " A" and resid 168 and name HN )) 2.600 0.800 0.800 peak 308 spectrum 1 weight 0.10000E+01 volume 0.54781E-02 ppm1 7.750 ppm2 7.488 CV 1 ASSI { 309} (( segid " A" and resid 169 and name HN )) ( segid " A" and resid 135 and name HD% ) 3.900 1.900 1.900 peak 309 spectrum 1 weight 0.10000E+01 volume 0.18889E-02 ppm1 7.750 ppm2 7.290 CV 1 ASSI { 311} (( segid " A" and resid 231 and name HN )) (( segid " A" and resid 230 and name HA )) 3.100 1.200 1.200 peak 311 spectrum 1 weight 0.10000E+01 volume 0.31671E-02 ppm1 7.105 ppm2 4.882 CV 1 ASSI { 312} (( segid " A" and resid 239 and name HN )) (( segid " A" and resid 238 and name HA )) 2.100 0.500 0.500 peak 312 spectrum 1 weight 0.10000E+01 volume 0.16375E-01 ppm1 8.177 ppm2 4.785 CV 1 ASSI { 313} (( segid " A" and resid 231 and name HN )) (( segid " A" and resid 229 and name HA )) 3.300 1.400 1.400 peak 313 spectrum 1 weight 0.10000E+01 volume 0.33322E-02 ppm1 7.102 ppm2 4.430 CV 1 OR { 313} (( segid " A" and resid 231 and name HN )) (( segid " A" and resid 232 and name HA )) ASSI { 314} (( segid " A" and resid 128 and name HN )) (( segid " A" and resid 127 and name HB )) 2.700 0.900 0.900 peak 314 spectrum 1 weight 0.10000E+01 volume 0.34878E-02 ppm1 7.456 ppm2 4.198 CV 1 ASSI { 315} (( segid " A" and resid 169 and name HN )) (( segid " A" and resid 168 and name HA )) 3.300 1.400 1.400 peak 315 spectrum 1 weight 0.10000E+01 volume 0.24242E-02 ppm1 7.748 ppm2 4.045 CV 1 ASSI { 316} (( segid " A" and resid 239 and name HN )) (( segid " A" and resid 239 and name HB )) 2.800 1.000 1.000 peak 316 spectrum 1 weight 0.10000E+01 volume 0.51834E-02 ppm1 8.177 ppm2 3.967 CV 1 ASSI { 317} (( segid " A" and resid 231 and name HN )) (( segid " A" and resid 231 and name HA )) 2.600 0.800 0.800 peak 317 spectrum 1 weight 0.10000E+01 volume 0.11322E-01 ppm1 7.103 ppm2 3.930 CV 1 ASSI { 318} (( segid " A" and resid 128 and name HN )) (( segid " A" and resid 128 and name HA )) 2.700 0.900 0.900 peak 318 spectrum 1 weight 0.10000E+01 volume 0.48414E-02 ppm1 7.456 ppm2 3.744 CV 1 ASSI { 319} (( segid " A" and resid 169 and name HN )) (( segid " A" and resid 165 and name HA )) 3.000 1.100 1.100 peak 319 spectrum 1 weight 0.10000E+01 volume 0.33227E-02 ppm1 7.751 ppm2 3.686 CV 1 ASSI { 320} (( segid " A" and resid 239 and name HN )) (( segid " A" and resid 238 and name HB2 )) 4.100 2.100 1.900 peak 320 spectrum 1 weight 0.10000E+01 volume 0.18781E-02 ppm1 8.177 ppm2 2.833 CV 1 ASSI { 321} (( segid " A" and resid 239 and name HN )) (( segid " A" and resid 238 and name HB1 )) 4.000 2.000 2.000 peak 321 spectrum 1 weight 0.10000E+01 volume 0.20898E-02 ppm1 8.176 ppm2 2.370 CV 1 ASSI { 322} (( segid " A" and resid 231 and name HN )) (( segid " A" and resid 230 and name HB1 )) 3.100 1.200 1.200 peak 322 spectrum 1 weight 0.10000E+01 volume 0.18646E-02 ppm1 7.099 ppm2 2.333 CV 1 ASSI { 323} (( segid " A" and resid 231 and name HN )) (( segid " A" and resid 230 and name HB2 )) 4.000 2.000 2.000 peak 323 spectrum 1 weight 0.10000E+01 volume 0.23014E-02 ppm1 7.101 ppm2 2.131 CV 1 ASSI { 324} (( segid " A" and resid 128 and name HN )) (( segid " A" and resid 128 and name HB )) 2.500 0.800 0.800 peak 324 spectrum 1 weight 0.10000E+01 volume 0.63813E-02 ppm1 7.458 ppm2 2.027 CV 1 ASSI { 325} (( segid " A" and resid 107 and name HN )) (( segid " A" and resid 110 and name HB )) 3.500 3.500 2.500 peak 325 spectrum 1 weight 0.10000E+01 volume 0.52282E-02 ppm1 7.838 ppm2 1.900 CV 1 OR { 325} (( segid " A" and resid 107 and name HN )) (( segid " A" and resid 201 and name HG )) ASSI { 326} (( segid " A" and resid 169 and name HN )) (( segid " A" and resid 168 and name HB2 )) 3.400 1.400 1.400 peak 326 spectrum 1 weight 0.10000E+01 volume 0.59946E-02 ppm1 7.751 ppm2 1.900 CV 1 ASSI { 327} (( segid " A" and resid 107 and name HN )) ( segid " A" and resid 107 and name HB% ) 2.400 0.700 0.700 peak 327 spectrum 1 weight 0.10000E+01 volume 0.96097E-02 ppm1 7.840 ppm2 1.502 CV 1 ASSI { 328} (( segid " A" and resid 169 and name HN )) ( segid " A" and resid 169 and name HB% ) 2.200 0.600 0.600 peak 328 spectrum 1 weight 0.10000E+01 volume 0.15069E-01 ppm1 7.750 ppm2 1.372 CV 1 ASSI { 329} (( segid " A" and resid 239 and name HN )) ( segid " A" and resid 239 and name HG2%) 3.500 1.500 1.500 peak 329 spectrum 1 weight 0.10000E+01 volume 0.28770E-02 ppm1 8.179 ppm2 1.207 CV 1 ASSI { 330} (( segid " A" and resid 128 and name HN )) (( segid " A" and resid 128 and name HG12)) 2.400 0.700 0.700 peak 330 spectrum 1 weight 0.10000E+01 volume 0.62139E-02 ppm1 7.456 ppm2 1.227 CV 1 OR { 330} (( segid " A" and resid 128 and name HN )) (( segid " A" and resid 128 and name HG11)) ASSI { 331} (( segid " A" and resid 169 and name HN )) ( segid " A" and resid 168 and name HD1%) 3.800 1.800 1.800 peak 331 spectrum 1 weight 0.10000E+01 volume 0.26671E-02 ppm1 7.751 ppm2 0.937 CV 1 OR { 331} (( segid " A" and resid 169 and name HN )) ( segid " A" and resid 114 and name HG2%) ASSI { 332} (( segid " A" and resid 231 and name HN )) ( segid " A" and resid 231 and name HB% ) 2.200 0.600 0.600 peak 332 spectrum 1 weight 0.10000E+01 volume 0.22280E-01 ppm1 7.103 ppm2 0.826 CV 1 ASSI { 333} (( segid " A" and resid 239 and name HN )) (( segid " A" and resid 255 and name HG12)) 3.500 1.500 1.500 peak 333 spectrum 1 weight 0.10000E+01 volume 0.21380E-02 ppm1 8.177 ppm2 0.616 CV 1 ASSI { 334} (( segid " A" and resid 128 and name HN )) ( segid " A" and resid 128 and name HG2%) 4.100 2.100 1.900 peak 334 spectrum 1 weight 0.10000E+01 volume 0.29666E-02 ppm1 7.461 ppm2 0.569 CV 1 ASSI { 335} (( segid " A" and resid 220 and name HN )) (( segid " A" and resid 219 and name HN )) 2.600 0.900 0.900 peak 335 spectrum 1 weight 0.10000E+01 volume 0.46032E-02 ppm1 7.941 ppm2 10.843 CV 1 ASSI { 336} (( segid " A" and resid 273 and name HN )) (( segid " A" and resid 272 and name HN )) 2.600 0.800 0.800 peak 336 spectrum 1 weight 0.10000E+01 volume 0.53956E-02 ppm1 7.723 ppm2 9.191 CV 1 ASSI { 338} (( segid " A" and resid 265 and name HN )) (( segid " A" and resid 264 and name HN )) 2.600 0.900 0.900 peak 338 spectrum 1 weight 0.10000E+01 volume 0.51527E-02 ppm1 8.223 ppm2 7.334 CV 1 ASSI { 339} (( segid " A" and resid 273 and name HN )) ( segid " A" and resid 273 and name HD% ) 4.000 2.000 2.000 peak 339 spectrum 1 weight 0.10000E+01 volume 0.33180E-02 ppm1 7.728 ppm2 7.127 CV 1 ASSI { 340} (( segid " A" and resid 264 and name HN )) (( segid " A" and resid 263 and name HN )) 2.700 0.900 0.900 peak 340 spectrum 1 weight 0.10000E+01 volume 0.38250E-02 ppm1 7.330 ppm2 6.948 CV 1 ASSI { 341} (( segid " A" and resid 184 and name HN )) (( segid " A" and resid 184 and name HA )) 3.100 1.200 1.200 peak 341 spectrum 1 weight 0.10000E+01 volume 0.23257E-02 ppm1 7.981 ppm2 4.969 CV 1 ASSI { 342} (( segid " A" and resid 184 and name HN )) (( segid " A" and resid 183 and name HA )) 2.600 0.800 0.800 peak 342 spectrum 1 weight 0.10000E+01 volume 0.58814E-02 ppm1 7.989 ppm2 4.682 CV 1 ASSI { 343} (( segid " A" and resid 220 and name HN )) (( segid " A" and resid 220 and name HA )) 2.500 0.800 0.800 peak 343 spectrum 1 weight 0.10000E+01 volume 0.81358E-02 ppm1 7.941 ppm2 4.647 CV 1 ASSI { 344} (( segid " A" and resid 141 and name HN )) (( segid " A" and resid 141 and name HA )) 2.600 0.800 0.800 peak 344 spectrum 1 weight 0.10000E+01 volume 0.76406E-02 ppm1 8.221 ppm2 4.645 CV 1 ASSI { 345} (( segid " A" and resid 141 and name HN )) (( segid " A" and resid 140 and name HA )) 2.400 0.700 0.700 peak 345 spectrum 1 weight 0.10000E+01 volume 0.12581E-01 ppm1 8.220 ppm2 4.509 CV 1 ASSI { 346} (( segid " A" and resid 273 and name HN )) (( segid " A" and resid 273 and name HA )) 2.700 0.900 0.900 peak 346 spectrum 1 weight 0.10000E+01 volume 0.61149E-02 ppm1 7.724 ppm2 4.384 CV 1 ASSI { 347} (( segid " A" and resid 265 and name HN )) (( segid " A" and resid 265 and name HA )) 2.800 0.900 0.900 peak 347 spectrum 1 weight 0.10000E+01 volume 0.69780E-02 ppm1 8.224 ppm2 4.283 CV 1 ASSI { 348} (( segid " A" and resid 265 and name HN )) (( segid " A" and resid 264 and name HA )) 3.000 1.100 1.100 peak 348 spectrum 1 weight 0.10000E+01 volume 0.43132E-02 ppm1 8.225 ppm2 3.974 CV 1 ASSI { 349} (( segid " A" and resid 107 and name HN )) (( segid " A" and resid 107 and name HA )) 2.800 1.000 1.000 peak 349 spectrum 1 weight 0.10000E+01 volume 0.48579E-02 ppm1 7.840 ppm2 3.967 CV 1 ASSI { 350} (( segid " A" and resid 273 and name HN )) (( segid " A" and resid 272 and name HA )) 2.700 0.900 0.900 peak 350 spectrum 1 weight 0.10000E+01 volume 0.48579E-02 ppm1 7.736 ppm2 3.912 CV 1 ASSI { 351} (( segid " A" and resid 141 and name HN )) (( segid " A" and resid 140 and name HB2 )) 3.600 1.600 1.600 peak 351 spectrum 1 weight 0.10000E+01 volume 0.35538E-02 ppm1 8.211 ppm2 3.708 CV 1 ASSI { 352} (( segid " A" and resid 220 and name HN )) (( segid " A" and resid 218 and name HA )) 4.100 2.100 1.900 peak 352 spectrum 1 weight 0.10000E+01 volume 0.18969E-02 ppm1 7.942 ppm2 3.649 CV 1 ASSI { 353} (( segid " A" and resid 273 and name HN )) (( segid " A" and resid 273 and name HB1 )) 2.400 0.700 0.700 peak 353 spectrum 1 weight 0.10000E+01 volume 0.85202E-02 ppm1 7.724 ppm2 3.180 CV 1 ASSI { 354} (( segid " A" and resid 273 and name HN )) (( segid " A" and resid 273 and name HB2 )) 2.500 0.800 0.800 peak 354 spectrum 1 weight 0.10000E+01 volume 0.88197E-02 ppm1 7.724 ppm2 3.021 CV 1 ASSI { 356} (( segid " A" and resid 265 and name HN )) (( segid " A" and resid 265 and name HB1 )) 3.200 1.300 1.300 peak 356 spectrum 1 weight 0.10000E+01 volume 0.99116E-02 ppm1 8.226 ppm2 2.751 CV 1 ASSI { 357} (( segid " A" and resid 220 and name HN )) (( segid " A" and resid 219 and name HB1 )) 3.600 1.600 1.600 peak 357 spectrum 1 weight 0.10000E+01 volume 0.21943E-02 ppm1 7.942 ppm2 2.732 CV 1 ASSI { 358} (( segid " A" and resid 265 and name HN )) (( segid " A" and resid 264 and name HG1 )) 4.100 2.100 1.900 peak 358 spectrum 1 weight 0.10000E+01 volume 0.30044E-02 ppm1 8.224 ppm2 2.392 CV 1 OR { 358} (( segid " A" and resid 265 and name HN )) (( segid " A" and resid 264 and name HG2 )) ASSI { 359} (( segid " A" and resid 169 and name HN )) (( segid " A" and resid 169 and name HA )) 2.600 0.900 0.900 peak 359 spectrum 1 weight 0.10000E+01 volume 0.63436E-02 ppm1 7.750 ppm2 2.401 CV 1 ASSI { 360} (( segid " A" and resid 265 and name HN )) (( segid " A" and resid 264 and name HB2 )) 2.600 0.900 0.900 peak 360 spectrum 1 weight 0.10000E+01 volume 0.87985E-02 ppm1 8.225 ppm2 2.106 CV 1 OR { 360} (( segid " A" and resid 265 and name HN )) (( segid " A" and resid 264 and name HB1 )) ASSI { 361} (( segid " A" and resid 273 and name HN )) (( segid " A" and resid 272 and name HB2 )) 3.600 1.600 1.600 peak 361 spectrum 1 weight 0.10000E+01 volume 0.19880E-02 ppm1 7.722 ppm2 2.052 CV 1 ASSI { 362} (( segid " A" and resid 220 and name HN )) (( segid " A" and resid 220 and name HB1 )) 3.000 1.100 1.100 peak 362 spectrum 1 weight 0.10000E+01 volume 0.71477E-02 ppm1 7.942 ppm2 2.022 CV 1 ASSI { 363} (( segid " A" and resid 184 and name HN )) (( segid " A" and resid 184 and name HB2 )) 2.900 1.100 1.100 peak 363 spectrum 1 weight 0.10000E+01 volume 0.24997E-02 ppm1 7.982 ppm2 1.758 CV 1 ASSI { 364} (( segid " A" and resid 285 and name HN )) (( segid " A" and resid 210 and name HG2 )) 3.800 1.800 1.800 peak 364 spectrum 1 weight 0.10000E+01 volume 0.16880E-02 ppm1 7.757 ppm2 1.749 CV 1 OR { 364} (( segid " A" and resid 169 and name HN )) (( segid " A" and resid 172 and name HB2 )) OR { 364} (( segid " A" and resid 169 and name HN )) (( segid " A" and resid 170 and name HG )) ASSI { 365} (( segid " A" and resid 141 and name HN )) (( segid " A" and resid 141 and name HB )) 2.800 1.000 1.000 peak 365 spectrum 1 weight 0.10000E+01 volume 0.45490E-02 ppm1 8.222 ppm2 1.654 CV 1 ASSI { 366} (( segid " A" and resid 141 and name HN )) (( segid " A" and resid 141 and name HG12)) 4.000 2.000 2.000 peak 366 spectrum 1 weight 0.10000E+01 volume 0.17736E-02 ppm1 8.222 ppm2 1.528 CV 1 ASSI { 367} (( segid " A" and resid 184 and name HN )) (( segid " A" and resid 183 and name HG11)) 3.600 1.600 1.600 peak 367 spectrum 1 weight 0.10000E+01 volume 0.21460E-02 ppm1 7.980 ppm2 1.515 CV 1 OR { 367} (( segid " A" and resid 184 and name HN )) (( segid " A" and resid 183 and name HG12)) ASSI { 368} (( segid " A" and resid 169 and name HN )) ( segid " A" and resid 168 and name HD2%) 3.800 1.800 1.800 peak 368 spectrum 1 weight 0.10000E+01 volume 0.34194E-02 ppm1 7.725 ppm2 1.068 CV 1 OR { 368} (( segid " A" and resid 273 and name HN )) ( segid " A" and resid 280 and name HD1%) ASSI { 369} (( segid " A" and resid 220 and name HN )) ( segid " A" and resid 220 and name HD2%) 3.600 1.600 1.600 peak 369 spectrum 1 weight 0.10000E+01 volume 0.45608E-02 ppm1 7.939 ppm2 0.952 CV 1 ASSI { 370} (( segid " A" and resid 220 and name HN )) ( segid " A" and resid 220 and name HD1%) 3.400 1.400 1.400 peak 370 spectrum 1 weight 0.10000E+01 volume 0.45443E-02 ppm1 7.940 ppm2 0.826 CV 1 ASSI { 371} (( segid " A" and resid 273 and name HN )) ( segid " A" and resid 272 and name HD2%) 4.500 2.500 1.500 peak 371 spectrum 1 weight 0.10000E+01 volume 0.16691E-02 ppm1 7.728 ppm2 0.729 CV 1 ASSI { 372} (( segid " A" and resid 220 and name HN )) ( segid " A" and resid 216 and name HG1%) 3.500 1.600 1.600 peak 372 spectrum 1 weight 0.10000E+01 volume 0.30539E-02 ppm1 7.941 ppm2 0.689 CV 1 ASSI { 373} (( segid " A" and resid 141 and name HN )) ( segid " A" and resid 141 and name HG2%) 4.100 2.100 1.900 peak 373 spectrum 1 weight 0.10000E+01 volume 0.20870E-02 ppm1 8.225 ppm2 0.605 CV 1 ASSI { 374} (( segid " A" and resid 248 and name HN )) (( segid " A" and resid 247 and name HN )) 2.800 1.000 1.000 peak 374 spectrum 1 weight 0.10000E+01 volume 0.32614E-02 ppm1 7.945 ppm2 8.449 CV 1 ASSI { 375} (( segid " A" and resid 264 and name HN )) (( segid " A" and resid 265 and name HN )) 2.700 0.900 0.900 peak 375 spectrum 1 weight 0.10000E+01 volume 0.41693E-02 ppm1 7.329 ppm2 8.224 CV 1 ASSI { 376} (( segid " A" and resid 202 and name HN )) (( segid " A" and resid 203 and name HN )) 2.500 0.800 0.800 peak 376 spectrum 1 weight 0.10000E+01 volume 0.62139E-02 ppm1 8.025 ppm2 7.823 CV 1 ASSI { 377} (( segid " A" and resid 285 and name HN )) (( segid " A" and resid 211 and name HA )) 2.100 0.600 0.600 peak 377 spectrum 1 weight 0.10000E+01 volume 0.75675E-02 ppm1 7.785 ppm2 5.097 CV 1 ASSI { 378} (( segid " A" and resid 273 and name HN )) (( segid " A" and resid 270 and name HA )) 3.900 1.900 1.900 peak 378 spectrum 1 weight 0.10000E+01 volume 0.23309E-02 ppm1 7.725 ppm2 4.893 CV 1 ASSI { 379} (( segid " A" and resid 285 and name HN )) (( segid " A" and resid 285 and name HA )) 2.700 0.900 0.900 peak 379 spectrum 1 weight 0.10000E+01 volume 0.39052E-02 ppm1 7.784 ppm2 4.766 CV 1 ASSI { 380} (( segid " A" and resid 248 and name HN )) (( segid " A" and resid 248 and name HA )) 2.600 0.900 0.900 peak 380 spectrum 1 weight 0.10000E+01 volume 0.69992E-02 ppm1 7.947 ppm2 4.455 CV 1 ASSI { 381} (( segid " A" and resid 285 and name HN )) (( segid " A" and resid 284 and name HA )) 2.000 0.500 0.500 peak 381 spectrum 1 weight 0.10000E+01 volume 0.15883E-01 ppm1 7.783 ppm2 4.460 CV 1 ASSI { 382} (( segid " A" and resid 248 and name HN )) (( segid " A" and resid 247 and name HA2 )) 3.200 1.200 1.200 peak 382 spectrum 1 weight 0.10000E+01 volume 0.44004E-02 ppm1 7.948 ppm2 4.268 CV 1 ASSI { 383} (( segid " A" and resid 264 and name HN )) (( segid " A" and resid 264 and name HA )) 2.600 0.800 0.800 peak 383 spectrum 1 weight 0.10000E+01 volume 0.80816E-02 ppm1 7.328 ppm2 3.961 CV 1 ASSI { 384} (( segid " A" and resid 264 and name HN )) (( segid " A" and resid 263 and name HB1 )) 3.000 1.200 1.200 peak 384 spectrum 1 weight 0.10000E+01 volume 0.44900E-02 ppm1 7.329 ppm2 3.852 CV 1 ASSI { 385} (( segid " A" and resid 248 and name HN )) (( segid " A" and resid 247 and name HA1 )) 3.500 1.500 1.500 peak 385 spectrum 1 weight 0.10000E+01 volume 0.27025E-02 ppm1 7.948 ppm2 3.791 CV 1 ASSI { 386} (( segid " A" and resid 264 and name HN )) (( segid " A" and resid 263 and name HA )) 3.100 1.200 1.200 peak 386 spectrum 1 weight 0.10000E+01 volume 0.29030E-02 ppm1 7.331 ppm2 3.756 CV 1 ASSI { 388} (( segid " A" and resid 248 and name HN )) (( segid " A" and resid 248 and name HE2 )) 4.300 2.300 1.700 peak 388 spectrum 1 weight 0.10000E+01 volume 0.17147E-02 ppm1 7.942 ppm2 2.971 CV 1 OR { 388} (( segid " A" and resid 248 and name HN )) (( segid " A" and resid 248 and name HE1 )) ASSI { 389} (( segid " A" and resid 248 and name HN )) (( segid " A" and resid 243 and name HB2 )) 3.500 1.600 1.600 peak 389 spectrum 1 weight 0.10000E+01 volume 0.17951E-02 ppm1 7.947 ppm2 2.435 CV 1 ASSI { 390} (( segid " A" and resid 264 and name HN )) (( segid " A" and resid 264 and name HG1 )) 2.500 0.800 0.800 peak 390 spectrum 1 weight 0.10000E+01 volume 0.59403E-02 ppm1 7.328 ppm2 2.395 CV 1 OR { 390} (( segid " A" and resid 264 and name HN )) (( segid " A" and resid 264 and name HG2 )) ASSI { 391} (( segid " A" and resid 273 and name HN )) (( segid " A" and resid 280 and name HB2 )) 2.600 0.900 0.900 peak 391 spectrum 1 weight 0.10000E+01 volume 0.42495E-02 ppm1 7.744 ppm2 2.346 CV 1 ASSI { 392} (( segid " A" and resid 273 and name HN )) (( segid " A" and resid 280 and name HG )) 3.800 1.900 1.900 peak 392 spectrum 1 weight 0.10000E+01 volume 0.30704E-02 ppm1 7.751 ppm2 2.231 CV 1 OR { 392} (( segid " A" and resid 169 and name HN )) (( segid " A" and resid 171 and name HB1 )) ASSI { 393} (( segid " A" and resid 264 and name HN )) (( segid " A" and resid 264 and name HB2 )) 2.400 0.700 0.700 peak 393 spectrum 1 weight 0.10000E+01 volume 0.13697E-01 ppm1 7.329 ppm2 2.110 CV 1 OR { 393} (( segid " A" and resid 264 and name HN )) (( segid " A" and resid 264 and name HB1 )) ASSI { 394} (( segid " A" and resid 285 and name HN )) (( segid " A" and resid 284 and name HB2 )) 3.400 1.400 1.400 peak 394 spectrum 1 weight 0.10000E+01 volume 0.62681E-02 ppm1 7.782 ppm2 2.018 CV 1 ASSI { 395} (( segid " A" and resid 202 and name HN )) (( segid " A" and resid 201 and name HG )) 4.200 2.200 1.800 peak 395 spectrum 1 weight 0.10000E+01 volume 0.18701E-02 ppm1 8.024 ppm2 1.880 CV 1 ASSI { 396} (( segid " A" and resid 285 and name HN )) (( segid " A" and resid 284 and name HB1 )) 3.000 1.100 1.100 peak 396 spectrum 1 weight 0.10000E+01 volume 0.46292E-02 ppm1 7.782 ppm2 1.872 CV 1 ASSI { 397} (( segid " A" and resid 248 and name HN )) (( segid " A" and resid 248 and name HB2 )) 3.200 1.300 1.300 peak 397 spectrum 1 weight 0.10000E+01 volume 0.61997E-02 ppm1 7.945 ppm2 1.854 CV 1 ASSI { 398} (( segid " A" and resid 248 and name HN )) (( segid " A" and resid 248 and name HB1 )) 2.600 0.900 0.900 peak 398 spectrum 1 weight 0.10000E+01 volume 0.13805E-01 ppm1 7.945 ppm2 1.659 CV 1 OR { 398} (( segid " A" and resid 220 and name HN )) (( segid " A" and resid 220 and name HG )) ASSI { 399} (( segid " A" and resid 285 and name HN )) ( segid " A" and resid 285 and name HB% ) 2.300 0.700 0.700 peak 399 spectrum 1 weight 0.10000E+01 volume 0.13291E-01 ppm1 7.783 ppm2 1.550 CV 1 ASSI { 400} (( segid " A" and resid 202 and name HN )) (( segid " A" and resid 201 and name HB1 )) 3.700 1.700 1.700 peak 400 spectrum 1 weight 0.10000E+01 volume 0.31553E-02 ppm1 8.023 ppm2 1.461 CV 1 ASSI { 401} (( segid " A" and resid 248 and name HN )) (( segid " A" and resid 248 and name HG2 )) 2.400 0.700 0.700 peak 401 spectrum 1 weight 0.10000E+01 volume 0.11489E-01 ppm1 7.946 ppm2 1.385 CV 1 OR { 401} (( segid " A" and resid 248 and name HN )) (( segid " A" and resid 248 and name HG1 )) ASSI { 402} (( segid " A" and resid 285 and name HN )) ( segid " A" and resid 211 and name HG2%) 3.100 1.200 1.200 peak 402 spectrum 1 weight 0.10000E+01 volume 0.44311E-02 ppm1 7.782 ppm2 1.000 CV 1 ASSI { 403} (( segid " A" and resid 285 and name HN )) ( segid " A" and resid 286 and name HG1%) 3.700 1.700 1.700 peak 403 spectrum 1 weight 0.10000E+01 volume 0.17307E-02 ppm1 7.784 ppm2 0.788 CV 1 ASSI { 404} (( segid " A" and resid 224 and name HN )) (( segid " A" and resid 221 and name HN )) 3.500 1.500 1.500 peak 404 spectrum 1 weight 0.10000E+01 volume 0.20309E-02 ppm1 7.640 ppm2 9.491 CV 1 ASSI { 405} (( segid " A" and resid 202 and name HN )) (( segid " A" and resid 201 and name HN )) 2.600 0.900 0.900 peak 405 spectrum 1 weight 0.10000E+01 volume 0.45985E-02 ppm1 8.024 ppm2 8.654 CV 1 ASSI { 406} (( segid " A" and resid 224 and name HN )) (( segid " A" and resid 225 and name HN )) 2.500 0.800 0.800 peak 406 spectrum 1 weight 0.10000E+01 volume 0.66973E-02 ppm1 7.641 ppm2 7.366 CV 1 ASSI { 407} (( segid " A" and resid 202 and name HN )) (( segid " A" and resid 199 and name HA )) 3.200 1.200 1.200 peak 407 spectrum 1 weight 0.10000E+01 volume 0.31742E-02 ppm1 8.023 ppm2 4.423 CV 1 ASSI { 408} (( segid " A" and resid 224 and name HN )) (( segid " A" and resid 224 and name HA )) 2.600 0.900 0.900 peak 408 spectrum 1 weight 0.10000E+01 volume 0.94729E-02 ppm1 7.641 ppm2 4.425 CV 1 OR { 408} (( segid " A" and resid 224 and name HN )) (( segid " A" and resid 223 and name HA )) ASSI { 409} (( segid " A" and resid 242 and name HN )) (( segid " A" and resid 241 and name HA )) 2.500 0.800 0.800 peak 409 spectrum 1 weight 0.10000E+01 volume 0.92914E-02 ppm1 8.483 ppm2 4.169 CV 1 ASSI { 410} (( segid " A" and resid 176 and name HN )) (( segid " A" and resid 176 and name HA )) 2.800 1.000 1.000 peak 410 spectrum 1 weight 0.10000E+01 volume 0.41269E-02 ppm1 7.416 ppm2 4.077 CV 1 ASSI { 411} (( segid " A" and resid 224 and name HN )) (( segid " A" and resid 221 and name HB1 )) 3.600 1.600 1.600 peak 411 spectrum 1 weight 0.10000E+01 volume 0.17255E-02 ppm1 7.636 ppm2 4.004 CV 1 ASSI { 412} (( segid " A" and resid 202 and name HN )) (( segid " A" and resid 202 and name HA )) 2.600 0.900 0.900 peak 412 spectrum 1 weight 0.10000E+01 volume 0.82632E-02 ppm1 8.025 ppm2 3.965 CV 1 ASSI { 413} (( segid " A" and resid 224 and name HN )) (( segid " A" and resid 224 and name HB1 )) 3.000 1.100 1.100 peak 413 spectrum 1 weight 0.10000E+01 volume 0.74803E-02 ppm1 7.641 ppm2 3.002 CV 1 ASSI { 414} (( segid " A" and resid 224 and name HN )) (( segid " A" and resid 224 and name HB2 )) 2.400 0.700 0.700 peak 414 spectrum 1 weight 0.10000E+01 volume 0.83056E-02 ppm1 7.642 ppm2 2.692 CV 1 ASSI { 415} (( segid " A" and resid 224 and name HN )) (( segid " A" and resid 223 and name HB2 )) 3.200 1.300 1.300 peak 415 spectrum 1 weight 0.10000E+01 volume 0.41646E-02 ppm1 7.641 ppm2 2.532 CV 1 ASSI { 416} (( segid " A" and resid 202 and name HN )) (( segid " A" and resid 201 and name HB2 )) 2.500 0.800 0.800 peak 416 spectrum 1 weight 0.10000E+01 volume 0.54946E-02 ppm1 8.026 ppm2 2.180 CV 1 ASSI { 417} (( segid " A" and resid 176 and name HN )) (( segid " A" and resid 176 and name HB )) 3.200 1.300 1.300 peak 417 spectrum 1 weight 0.10000E+01 volume 0.62516E-02 ppm1 7.417 ppm2 2.096 CV 1 ASSI { 418} (( segid " A" and resid 242 and name HN )) (( segid " A" and resid 242 and name HB1 )) 3.000 1.200 1.200 peak 418 spectrum 1 weight 0.10000E+01 volume 0.36694E-02 ppm1 8.484 ppm2 1.633 CV 1 ASSI { 419} (( segid " A" and resid 202 and name HN )) ( segid " A" and resid 202 and name HB% ) 2.300 0.700 0.700 peak 419 spectrum 1 weight 0.10000E+01 volume 0.17276E-01 ppm1 8.024 ppm2 1.592 CV 1 ASSI { 420} (( segid " A" and resid 129 and name HN )) (( segid " A" and resid 129 and name HG2 )) 3.900 1.900 1.900 peak 420 spectrum 1 weight 0.10000E+01 volume 0.30657E-02 ppm1 8.911 ppm2 1.564 CV 1 OR { 420} (( segid " A" and resid 129 and name HN )) (( segid " A" and resid 129 and name HG1 )) ASSI { 421} (( segid " A" and resid 242 and name HN )) (( segid " A" and resid 242 and name HB2 )) 3.100 1.200 1.200 peak 421 spectrum 1 weight 0.10000E+01 volume 0.27049E-02 ppm1 8.484 ppm2 1.383 CV 1 ASSI { 422} (( segid " A" and resid 129 and name HN )) (( segid " A" and resid 128 and name HG12)) 4.300 2.300 1.700 peak 422 spectrum 1 weight 0.10000E+01 volume 0.16852E-02 ppm1 8.913 ppm2 1.220 CV 1 OR { 422} (( segid " A" and resid 129 and name HN )) (( segid " A" and resid 128 and name HG11)) ASSI { 423} (( segid " A" and resid 176 and name HN )) ( segid " A" and resid 176 and name HG1%) 2.900 1.100 1.100 peak 423 spectrum 1 weight 0.10000E+01 volume 0.76100E-02 ppm1 7.416 ppm2 1.049 CV 1 ASSI { 424} (( segid " A" and resid 176 and name HN )) ( segid " A" and resid 176 and name HG2%) 2.800 1.000 1.000 peak 424 spectrum 1 weight 0.10000E+01 volume 0.57588E-02 ppm1 7.415 ppm2 0.917 CV 1 ASSI { 425} (( segid " A" and resid 202 and name HN )) ( segid " A" and resid 201 and name HD1%) 4.100 2.100 1.900 peak 425 spectrum 1 weight 0.10000E+01 volume 0.30963E-02 ppm1 8.027 ppm2 0.823 CV 1 OR { 425} (( segid " A" and resid 202 and name HN )) ( segid " A" and resid 201 and name HD2%) ASSI { 426} (( segid " A" and resid 242 and name HN )) ( segid " A" and resid 241 and name HB% ) 3.800 1.800 1.800 peak 426 spectrum 1 weight 0.10000E+01 volume 0.41858E-02 ppm1 8.487 ppm2 0.803 CV 1 ASSI { 427} (( segid " A" and resid 129 and name HN )) ( segid " A" and resid 141 and name HD1%) 3.300 1.300 1.300 peak 427 spectrum 1 weight 0.10000E+01 volume 0.39759E-02 ppm1 8.910 ppm2 0.777 CV 1 OR { 427} (( segid " A" and resid 129 and name HN )) ( segid " A" and resid 138 and name HD1%) ASSI { 428} (( segid " A" and resid 224 and name HN )) ( segid " A" and resid 225 and name HD1%) 4.700 2.700 1.300 peak 428 spectrum 1 weight 0.10000E+01 volume 0.16331E-02 ppm1 7.639 ppm2 0.662 CV 1 OR { 428} (( segid " A" and resid 224 and name HN )) ( segid " A" and resid 225 and name HG2%) ASSI { 429} (( segid " A" and resid 129 and name HN )) ( segid " A" and resid 128 and name HG2%) 3.500 1.500 1.500 peak 429 spectrum 1 weight 0.10000E+01 volume 0.32355E-02 ppm1 8.908 ppm2 0.570 CV 1 ASSI { 430} (( segid " A" and resid 204 and name HN )) (( segid " A" and resid 205 and name HN )) 2.600 0.900 0.900 peak 430 spectrum 1 weight 0.10000E+01 volume 0.47141E-02 ppm1 8.500 ppm2 8.241 CV 1 ASSI { 431} (( segid " A" and resid 129 and name HN )) (( segid " A" and resid 130 and name HN )) 2.800 1.000 1.000 peak 431 spectrum 1 weight 0.10000E+01 volume 0.33487E-02 ppm1 8.909 ppm2 7.958 CV 1 ASSI { 432} (( segid " A" and resid 204 and name HN )) (( segid " A" and resid 203 and name HN )) 2.500 0.800 0.800 peak 432 spectrum 1 weight 0.10000E+01 volume 0.53437E-02 ppm1 8.498 ppm2 7.824 CV 1 ASSI { 434} (( segid " A" and resid 201 and name HN )) (( segid " A" and resid 200 and name HA )) 3.500 1.500 1.500 peak 434 spectrum 1 weight 0.10000E+01 volume 0.20979E-02 ppm1 8.653 ppm2 4.155 CV 1 ASSI { 435} (( segid " A" and resid 242 and name HN )) (( segid " A" and resid 241 and name HA )) 2.700 0.900 0.900 peak 435 spectrum 1 weight 0.10000E+01 volume 0.52588E-02 ppm1 8.490 ppm2 4.177 CV 1 ASSI { 436} (( segid " A" and resid 129 and name HN )) (( segid " A" and resid 129 and name HA )) 2.500 0.800 0.800 peak 436 spectrum 1 weight 0.10000E+01 volume 0.57517E-02 ppm1 8.909 ppm2 3.707 CV 1 ASSI { 437} (( segid " A" and resid 204 and name HN )) (( segid " A" and resid 204 and name HG2 )) 3.200 1.300 1.300 peak 437 spectrum 1 weight 0.10000E+01 volume 0.77915E-02 ppm1 8.499 ppm2 2.689 CV 1 ASSI { 438} (( segid " A" and resid 204 and name HN )) (( segid " A" and resid 204 and name HG1 )) 2.300 0.600 0.600 peak 438 spectrum 1 weight 0.10000E+01 volume 0.84566E-02 ppm1 8.499 ppm2 2.328 CV 1 ASSI { 439} (( segid " A" and resid 129 and name HN )) (( segid " A" and resid 130 and name HB2 )) 4.300 2.300 1.700 peak 439 spectrum 1 weight 0.10000E+01 volume 0.19826E-02 ppm1 8.910 ppm2 2.210 CV 1 OR { 439} (( segid " A" and resid 129 and name HN )) (( segid " A" and resid 130 and name HB1 )) ASSI { 440} (( segid " A" and resid 204 and name HN )) (( segid " A" and resid 204 and name HB2 )) 2.200 0.600 0.600 peak 440 spectrum 1 weight 0.10000E+01 volume 0.12216E-01 ppm1 8.499 ppm2 2.195 CV 1 OR { 440} (( segid " A" and resid 204 and name HN )) (( segid " A" and resid 203 and name HB2 )) OR { 440} (( segid " A" and resid 204 and name HN )) (( segid " A" and resid 203 and name HB1 )) ASSI { 441} (( segid " A" and resid 129 and name HN )) (( segid " A" and resid 129 and name HB2 )) 2.400 0.700 0.700 peak 441 spectrum 1 weight 0.10000E+01 volume 0.85084E-02 ppm1 8.912 ppm2 2.003 CV 1 ASSI { 442} (( segid " A" and resid 176 and name HN )) (( segid " A" and resid 183 and name HG12)) 3.600 1.700 1.700 peak 442 spectrum 1 weight 0.10000E+01 volume 0.20924E-02 ppm1 7.414 ppm2 1.531 CV 1 OR { 442} (( segid " A" and resid 176 and name HN )) (( segid " A" and resid 183 and name HG11)) ASSI { 443} (( segid " A" and resid 204 and name HN )) ( segid " A" and resid 205 and name HB% ) 4.200 2.200 1.800 peak 443 spectrum 1 weight 0.10000E+01 volume 0.18005E-02 ppm1 8.499 ppm2 1.176 CV 1 OR { 443} (( segid " A" and resid 204 and name HN )) ( segid " A" and resid 207 and name HB% ) ASSI { 446} (( segid " A" and resid 201 and name HN )) (( segid " A" and resid 201 and name HA )) 2.500 0.800 0.800 peak 446 spectrum 1 weight 0.10000E+01 volume 0.45702E-02 ppm1 8.653 ppm2 3.998 CV 1 ASSI { 447} (( segid " A" and resid 201 and name HN )) (( segid " A" and resid 198 and name HA )) 3.300 1.400 1.400 peak 447 spectrum 1 weight 0.10000E+01 volume 0.17925E-02 ppm1 8.653 ppm2 3.571 CV 1 ASSI { 448} (( segid " A" and resid 201 and name HN )) (( segid " A" and resid 201 and name HB2 )) 2.400 0.700 0.700 peak 448 spectrum 1 weight 0.10000E+01 volume 0.79307E-02 ppm1 8.654 ppm2 2.190 CV 1 ASSI { 449} (( segid " A" and resid 201 and name HN )) (( segid " A" and resid 201 and name HG )) 2.200 0.600 0.600 peak 449 spectrum 1 weight 0.10000E+01 volume 0.71926E-02 ppm1 8.655 ppm2 1.882 CV 1 ASSI { 450} (( segid " A" and resid 201 and name HN )) ( segid " A" and resid 202 and name HB% ) 4.400 2.400 1.600 peak 450 spectrum 1 weight 0.10000E+01 volume 0.16010E-02 ppm1 8.643 ppm2 1.590 CV 1 ASSI { 451} (( segid " A" and resid 201 and name HN )) (( segid " A" and resid 201 and name HB1 )) 3.500 1.500 1.500 peak 451 spectrum 1 weight 0.10000E+01 volume 0.37991E-02 ppm1 8.653 ppm2 1.455 CV 1 ASSI { 452} (( segid " A" and resid 201 and name HN )) ( segid " A" and resid 201 and name HD2%) 3.300 1.400 1.400 peak 452 spectrum 1 weight 0.10000E+01 volume 0.68388E-02 ppm1 8.655 ppm2 0.828 CV 1 OR { 452} (( segid " A" and resid 201 and name HN )) ( segid " A" and resid 201 and name HD1%) ASSI { 453} (( segid " A" and resid 113 and name HN )) (( segid " A" and resid 112 and name HN )) 2.700 0.900 0.900 peak 453 spectrum 1 weight 0.10000E+01 volume 0.49711E-02 ppm1 7.444 ppm2 7.254 CV 1 ASSI { 454} (( segid " A" and resid 279 and name HN )) ( segid " A" and resid 279 and name HD% ) 3.300 1.400 1.400 peak 454 spectrum 1 weight 0.10000E+01 volume 0.25728E-02 ppm1 8.166 ppm2 6.997 CV 1 ASSI { 455} (( segid " A" and resid 249 and name HN )) (( segid " A" and resid 249 and name HA )) 3.100 1.200 1.200 peak 455 spectrum 1 weight 0.10000E+01 volume 0.17656E-02 ppm1 8.522 ppm2 5.391 CV 1 ASSI { 456} (( segid " A" and resid 113 and name HN )) (( segid " A" and resid 113 and name HA )) 2.900 1.100 1.100 peak 456 spectrum 1 weight 0.10000E+01 volume 0.34784E-02 ppm1 7.445 ppm2 5.395 CV 1 ASSI { 457} (( segid " A" and resid 279 and name HN )) (( segid " A" and resid 279 and name HA )) 2.700 0.900 0.900 peak 457 spectrum 1 weight 0.10000E+01 volume 0.50018E-02 ppm1 8.170 ppm2 4.798 CV 1 ASSI { 458} (( segid " A" and resid 125 and name HN )) (( segid " A" and resid 124 and name HA2 )) 3.000 1.200 1.200 peak 458 spectrum 1 weight 0.10000E+01 volume 0.22639E-02 ppm1 8.927 ppm2 4.560 CV 1 ASSI { 459} (( segid " A" and resid 249 and name HN )) (( segid " A" and resid 248 and name HA )) 2.400 0.700 0.700 peak 459 spectrum 1 weight 0.10000E+01 volume 0.94116E-02 ppm1 8.521 ppm2 4.455 CV 1 ASSI { 460} (( segid " A" and resid 279 and name HN )) (( segid " A" and resid 278 and name HA )) 2.100 0.600 0.600 peak 460 spectrum 1 weight 0.10000E+01 volume 0.19462E-01 ppm1 8.169 ppm2 4.399 CV 1 ASSI { 461} (( segid " A" and resid 113 and name HN )) (( segid " A" and resid 112 and name HA )) 3.200 1.300 1.300 peak 461 spectrum 1 weight 0.10000E+01 volume 0.25374E-02 ppm1 7.444 ppm2 4.173 CV 1 ASSI { 462} (( segid " A" and resid 113 and name HN )) (( segid " A" and resid 110 and name HA )) 3.400 1.400 1.400 peak 462 spectrum 1 weight 0.10000E+01 volume 0.17764E-02 ppm1 7.441 ppm2 3.695 CV 1 ASSI { 463} (( segid " A" and resid 113 and name HN )) (( segid " A" and resid 112 and name HB2 )) 3.200 1.300 1.300 peak 463 spectrum 1 weight 0.10000E+01 volume 0.22104E-02 ppm1 7.442 ppm2 3.098 CV 1 ASSI { 464} (( segid " A" and resid 279 and name HN )) (( segid " A" and resid 279 and name HB2 )) 2.500 0.800 0.800 peak 464 spectrum 1 weight 0.10000E+01 volume 0.60700E-02 ppm1 8.168 ppm2 2.755 CV 1 ASSI { 465} (( segid " A" and resid 279 and name HN )) (( segid " A" and resid 279 and name HB1 )) 3.700 1.800 1.800 peak 465 spectrum 1 weight 0.10000E+01 volume 0.39335E-02 ppm1 8.170 ppm2 2.588 CV 1 ASSI { 466} (( segid " A" and resid 279 and name HN )) (( segid " A" and resid 278 and name HG2 )) 4.200 2.200 1.800 peak 466 spectrum 1 weight 0.10000E+01 volume 0.20604E-02 ppm1 8.169 ppm2 2.374 CV 1 ASSI { 467} (( segid " A" and resid 279 and name HN )) (( segid " A" and resid 278 and name HG1 )) 4.800 2.900 1.200 peak 467 spectrum 1 weight 0.10000E+01 volume 0.20630E-02 ppm1 8.169 ppm2 2.312 CV 1 ASSI { 468} (( segid " A" and resid 279 and name HN )) (( segid " A" and resid 278 and name HB2 )) 3.600 1.700 1.700 peak 468 spectrum 1 weight 0.10000E+01 volume 0.47070E-02 ppm1 8.168 ppm2 2.149 CV 1 ASSI { 469} (( segid " A" and resid 279 and name HN )) (( segid " A" and resid 278 and name HB1 )) 3.000 1.100 1.100 peak 469 spectrum 1 weight 0.10000E+01 volume 0.29666E-02 ppm1 8.168 ppm2 2.012 CV 1 ASSI { 470} (( segid " A" and resid 249 and name HN )) (( segid " A" and resid 248 and name HB2 )) 3.300 1.300 1.300 peak 470 spectrum 1 weight 0.10000E+01 volume 0.29218E-02 ppm1 8.519 ppm2 1.851 CV 1 ASSI { 471} (( segid " A" and resid 249 and name HN )) (( segid " A" and resid 248 and name HB1 )) 4.100 2.100 1.900 peak 471 spectrum 1 weight 0.10000E+01 volume 0.31459E-02 ppm1 8.522 ppm2 1.637 CV 1 ASSI { 473} (( segid " A" and resid 249 and name HN )) (( segid " A" and resid 248 and name HG1 )) 3.900 1.900 1.900 peak 473 spectrum 1 weight 0.10000E+01 volume 0.23747E-02 ppm1 8.521 ppm2 1.383 CV 1 OR { 473} (( segid " A" and resid 249 and name HN )) (( segid " A" and resid 248 and name HG2 )) OR { 473} (( segid " A" and resid 249 and name HN )) (( segid " A" and resid 242 and name HG2 )) OR { 473} (( segid " A" and resid 249 and name HN )) (( segid " A" and resid 242 and name HB2 )) ASSI { 476} (( segid " A" and resid 199 and name HN )) (( segid " A" and resid 198 and name HN )) 2.700 0.900 0.900 peak 476 spectrum 1 weight 0.10000E+01 volume 0.42660E-02 ppm1 8.667 ppm2 7.977 CV 1 ASSI { 477} (( segid " A" and resid 199 and name HN )) (( segid " A" and resid 200 and name HN )) 2.700 0.900 0.900 peak 477 spectrum 1 weight 0.10000E+01 volume 0.49192E-02 ppm1 8.670 ppm2 7.664 CV 1 ASSI { 478} (( segid " A" and resid 199 and name HN )) (( segid " A" and resid 199 and name HA )) 2.700 0.900 0.900 peak 478 spectrum 1 weight 0.10000E+01 volume 0.81995E-02 ppm1 8.668 ppm2 4.431 CV 1 ASSI { 479} (( segid " A" and resid 203 and name HN )) (( segid " A" and resid 203 and name HA )) 2.300 0.700 0.700 peak 479 spectrum 1 weight 0.10000E+01 volume 0.98974E-02 ppm1 7.822 ppm2 4.096 CV 1 ASSI { 480} (( segid " A" and resid 203 and name HN )) (( segid " A" and resid 202 and name HA )) 3.200 1.300 1.300 peak 480 spectrum 1 weight 0.10000E+01 volume 0.36010E-02 ppm1 7.823 ppm2 3.963 CV 1 ASSI { 481} (( segid " A" and resid 199 and name HN )) (( segid " A" and resid 197 and name HA )) 3.300 1.300 1.300 peak 481 spectrum 1 weight 0.10000E+01 volume 0.35680E-02 ppm1 8.666 ppm2 3.905 CV 1 ASSI { 482} (( segid " A" and resid 199 and name HN )) (( segid " A" and resid 198 and name HA )) 3.400 1.400 1.400 peak 482 spectrum 1 weight 0.10000E+01 volume 0.22533E-02 ppm1 8.667 ppm2 3.572 CV 1 ASSI { 483} (( segid " A" and resid 199 and name HN )) (( segid " A" and resid 199 and name HB2 )) 2.600 0.800 0.800 peak 483 spectrum 1 weight 0.10000E+01 volume 0.95343E-02 ppm1 8.667 ppm2 2.738 CV 1 ASSI { 484} (( segid " A" and resid 199 and name HN )) (( segid " A" and resid 196 and name HB2 )) 2.800 2.800 3.200 peak 484 spectrum 1 weight 0.10000E+01 volume 0.22613E-02 ppm1 8.670 ppm2 2.403 CV 1 OR { 484} (( segid " A" and resid 199 and name HN )) (( segid " A" and resid 195 and name HG2 )) OR { 484} (( segid " A" and resid 199 and name HN )) (( segid " A" and resid 195 and name HG1 )) ASSI { 485} (( segid " A" and resid 203 and name HN )) (( segid " A" and resid 203 and name HB2 )) 2.200 0.600 0.600 peak 485 spectrum 1 weight 0.10000E+01 volume 0.19644E-01 ppm1 7.823 ppm2 2.209 CV 1 OR { 485} (( segid " A" and resid 203 and name HN )) (( segid " A" and resid 203 and name HB1 )) ASSI { 486} (( segid " A" and resid 199 and name HN )) (( segid " A" and resid 198 and name HB )) 2.400 0.700 0.700 peak 486 spectrum 1 weight 0.10000E+01 volume 0.71808E-02 ppm1 8.667 ppm2 2.021 CV 1 ASSI { 487} (( segid " A" and resid 203 and name HN )) ( segid " A" and resid 202 and name HB% ) 2.500 0.800 0.800 peak 487 spectrum 1 weight 0.10000E+01 volume 0.96239E-02 ppm1 7.822 ppm2 1.593 CV 1 ASSI { 488} (( segid " A" and resid 199 and name HN )) ( segid " A" and resid 198 and name HG2%) 3.400 1.400 1.400 peak 488 spectrum 1 weight 0.10000E+01 volume 0.40396E-02 ppm1 8.669 ppm2 0.953 CV 1 ASSI { 489} (( segid " A" and resid 199 and name HN )) ( segid " A" and resid 198 and name HD1%) 2.800 2.800 3.200 peak 489 spectrum 1 weight 0.10000E+01 volume 0.21568E-02 ppm1 8.666 ppm2 0.764 CV 1 ASSI { 490} (( segid " A" and resid 258 and name HN )) (( segid " A" and resid 259 and name HN )) 3.000 1.100 1.100 peak 490 spectrum 1 weight 0.10000E+01 volume 0.25469E-02 ppm1 8.291 ppm2 8.777 CV 1 ASSI { 491} (( segid " A" and resid 258 and name HN )) ( segid " A" and resid 257 and name HD% ) 3.600 1.700 1.700 peak 491 spectrum 1 weight 0.10000E+01 volume 0.26789E-02 ppm1 8.291 ppm2 6.971 CV 1 OR { 491} (( segid " A" and resid 258 and name HN )) (( segid " A" and resid 263 and name HN )) ASSI { 492} (( segid " A" and resid 258 and name HN )) (( segid " A" and resid 257 and name HA )) 2.200 0.600 0.600 peak 492 spectrum 1 weight 0.10000E+01 volume 0.79307E-02 ppm1 8.291 ppm2 4.961 CV 1 ASSI { 493} (( segid " A" and resid 258 and name HN )) (( segid " A" and resid 258 and name HA )) 2.700 0.900 0.900 peak 493 spectrum 1 weight 0.10000E+01 volume 0.50088E-02 ppm1 8.292 ppm2 4.127 CV 1 ASSI { 494} (( segid " A" and resid 258 and name HN )) (( segid " A" and resid 257 and name HB2 )) 3.500 1.500 1.500 peak 494 spectrum 1 weight 0.10000E+01 volume 0.31105E-02 ppm1 8.291 ppm2 3.596 CV 1 ASSI { 495} (( segid " A" and resid 258 and name HN )) (( segid " A" and resid 257 and name HB1 )) 2.700 0.900 0.900 peak 495 spectrum 1 weight 0.10000E+01 volume 0.18889E-02 ppm1 8.291 ppm2 2.790 CV 1 ASSI { 496} (( segid " A" and resid 203 and name HN )) (( segid " A" and resid 203 and name HG2 )) 3.400 1.400 1.400 peak 496 spectrum 1 weight 0.10000E+01 volume 0.70416E-02 ppm1 7.822 ppm2 2.326 CV 1 ASSI { 497} (( segid " A" and resid 258 and name HN )) (( segid " A" and resid 258 and name HB1 )) 3.300 1.400 1.400 peak 497 spectrum 1 weight 0.10000E+01 volume 0.69780E-02 ppm1 8.292 ppm2 2.246 CV 1 ASSI { 498} (( segid " A" and resid 258 and name HN )) (( segid " A" and resid 258 and name HB2 )) 2.500 0.800 0.800 peak 498 spectrum 1 weight 0.10000E+01 volume 0.59875E-02 ppm1 8.293 ppm2 1.987 CV 1 ASSI { 499} (( segid " A" and resid 258 and name HN )) (( segid " A" and resid 234 and name HB1 )) 3.400 1.500 1.500 peak 499 spectrum 1 weight 0.10000E+01 volume 0.23417E-02 ppm1 8.292 ppm2 1.785 CV 1 OR { 499} (( segid " A" and resid 258 and name HN )) (( segid " A" and resid 234 and name HB2 )) ASSI { 500} (( segid " A" and resid 258 and name HN )) (( segid " A" and resid 236 and name HG1 )) 4.500 2.600 1.500 peak 500 spectrum 1 weight 0.10000E+01 volume 0.18460E-02 ppm1 8.292 ppm2 1.381 CV 1 OR { 500} (( segid " A" and resid 258 and name HN )) (( segid " A" and resid 236 and name HG2 )) ASSI { 502} (( segid " A" and resid 109 and name HN )) (( segid " A" and resid 108 and name HN )) 3.000 1.100 1.100 peak 502 spectrum 1 weight 0.10000E+01 volume 0.27898E-02 ppm1 7.436 ppm2 8.174 CV 1 ASSI { 503} (( segid " A" and resid 109 and name HN )) (( segid " A" and resid 110 and name HN )) 2.900 1.100 1.100 peak 503 spectrum 1 weight 0.10000E+01 volume 0.28652E-02 ppm1 7.438 ppm2 7.597 CV 1 ASSI { 504} (( segid " A" and resid 281 and name HN )) (( segid " A" and resid 281 and name HA )) 3.000 1.100 1.100 peak 504 spectrum 1 weight 0.10000E+01 volume 0.24856E-02 ppm1 7.786 ppm2 5.266 CV 1 ASSI { 505} (( segid " A" and resid 281 and name HN )) (( segid " A" and resid 280 and name HA )) 2.100 0.500 0.500 peak 505 spectrum 1 weight 0.10000E+01 volume 0.13171E-01 ppm1 7.783 ppm2 4.473 CV 1 ASSI { 506} (( segid " A" and resid 109 and name HN )) (( segid " A" and resid 109 and name HA )) 2.800 1.000 1.000 peak 506 spectrum 1 weight 0.10000E+01 volume 0.57069E-02 ppm1 7.437 ppm2 4.128 CV 1 ASSI { 507} (( segid " A" and resid 281 and name HN )) (( segid " A" and resid 280 and name HB2 )) 4.000 2.000 2.000 peak 507 spectrum 1 weight 0.10000E+01 volume 0.22587E-02 ppm1 7.781 ppm2 2.323 CV 1 ASSI { 508} (( segid " A" and resid 109 and name HN )) (( segid " A" and resid 108 and name HB1 )) 3.500 1.500 1.500 peak 508 spectrum 1 weight 0.10000E+01 volume 0.38745E-02 ppm1 7.438 ppm2 1.834 CV 1 ASSI { 509} (( segid " A" and resid 281 and name HN )) (( segid " A" and resid 281 and name HB2 )) 2.700 0.900 0.900 peak 509 spectrum 1 weight 0.10000E+01 volume 0.43297E-02 ppm1 7.784 ppm2 1.774 CV 1 OR { 509} (( segid " A" and resid 281 and name HN )) (( segid " A" and resid 281 and name HB1 )) ASSI { 510} (( segid " A" and resid 109 and name HN )) ( segid " A" and resid 109 and name HB% ) 2.400 0.700 0.700 peak 510 spectrum 1 weight 0.10000E+01 volume 0.13418E-01 ppm1 7.437 ppm2 1.481 CV 1 ASSI { 511} (( segid " A" and resid 281 and name HN )) (( segid " A" and resid 280 and name HB1 )) 3.000 1.100 1.100 peak 511 spectrum 1 weight 0.10000E+01 volume 0.40679E-02 ppm1 7.779 ppm2 1.394 CV 1 ASSI { 512} (( segid " A" and resid 281 and name HN )) (( segid " A" and resid 281 and name HG2 )) 2.500 0.800 0.800 peak 512 spectrum 1 weight 0.10000E+01 volume 0.47825E-02 ppm1 7.784 ppm2 1.044 CV 1 ASSI { 513} (( segid " A" and resid 281 and name HN )) ( segid " A" and resid 280 and name HD2%) 3.700 1.700 1.700 peak 513 spectrum 1 weight 0.10000E+01 volume 0.43934E-02 ppm1 7.783 ppm2 0.893 CV 1 ASSI { 514} (( segid " A" and resid 109 and name HN )) ( segid " A" and resid 108 and name HD1%) 4.600 2.600 1.400 peak 514 spectrum 1 weight 0.10000E+01 volume 0.20604E-02 ppm1 7.438 ppm2 0.878 CV 1 OR { 514} (( segid " A" and resid 109 and name HN )) ( segid " A" and resid 108 and name HD2%) ASSI { 515} (( segid " A" and resid 281 and name HN )) ( segid " A" and resid 213 and name HG2%) 3.000 3.000 3.000 peak 515 spectrum 1 weight 0.10000E+01 volume 0.16691E-02 ppm1 7.779 ppm2 0.446 CV 1 OR { 515} (( segid " A" and resid 131 and name HN )) (( segid " A" and resid 119 and name HG12)) ASSI { 516} (( segid " A" and resid 284 and name HN )) (( segid " A" and resid 283 and name HA1 )) 2.800 1.000 1.000 peak 516 spectrum 1 weight 0.10000E+01 volume 0.11308E-01 ppm1 8.619 ppm2 4.630 CV 1 ASSI { 517} (( segid " A" and resid 284 and name HN )) (( segid " A" and resid 284 and name HA )) 2.500 0.800 0.800 peak 517 spectrum 1 weight 0.10000E+01 volume 0.73105E-02 ppm1 8.618 ppm2 4.465 CV 1 ASSI { 518} (( segid " A" and resid 284 and name HN )) (( segid " A" and resid 283 and name HA2 )) 2.200 0.600 0.600 peak 518 spectrum 1 weight 0.10000E+01 volume 0.10397E-01 ppm1 8.616 ppm2 4.049 CV 1 ASSI { 519} (( segid " A" and resid 284 and name HN )) (( segid " A" and resid 284 and name HB2 )) 2.400 0.700 0.700 peak 519 spectrum 1 weight 0.10000E+01 volume 0.68483E-02 ppm1 8.616 ppm2 2.024 CV 1 ASSI { 520} (( segid " A" and resid 284 and name HN )) (( segid " A" and resid 284 and name HB1 )) 3.100 1.200 1.200 peak 520 spectrum 1 weight 0.10000E+01 volume 0.10489E-01 ppm1 8.619 ppm2 1.865 CV 1 ASSI { 521} (( segid " A" and resid 284 and name HN )) (( segid " A" and resid 284 and name HG1 )) 2.300 0.700 0.700 peak 521 spectrum 1 weight 0.10000E+01 volume 0.10336E-01 ppm1 8.616 ppm2 1.567 CV 1 OR { 521} (( segid " A" and resid 284 and name HN )) (( segid " A" and resid 284 and name HG2 )) ASSI { 522} (( segid " A" and resid 284 and name HN )) ( segid " A" and resid 267 and name HG1%) 2.700 0.900 0.900 peak 522 spectrum 1 weight 0.10000E+01 volume 0.80274E-02 ppm1 8.616 ppm2 1.008 CV 1 OR { 522} (( segid " A" and resid 284 and name HN )) ( segid " A" and resid 267 and name HG2%) ASSI { 524} (( segid " A" and resid 131 and name HN )) (( segid " A" and resid 132 and name HN )) 2.500 0.800 0.800 peak 524 spectrum 1 weight 0.10000E+01 volume 0.53272E-02 ppm1 7.763 ppm2 8.111 CV 1 ASSI { 525} (( segid " A" and resid 131 and name HN )) (( segid " A" and resid 130 and name HN )) 2.500 0.800 0.800 peak 525 spectrum 1 weight 0.10000E+01 volume 0.68388E-02 ppm1 7.763 ppm2 7.964 CV 1 ASSI { 527} (( segid " A" and resid 131 and name HN )) (( segid " A" and resid 131 and name HA )) 2.600 0.900 0.900 peak 527 spectrum 1 weight 0.10000E+01 volume 0.83056E-02 ppm1 7.763 ppm2 4.224 CV 1 ASSI { 528} (( segid " A" and resid 205 and name HN )) (( segid " A" and resid 204 and name HA )) 3.100 1.200 1.200 peak 528 spectrum 1 weight 0.10000E+01 volume 0.42023E-02 ppm1 8.248 ppm2 4.077 CV 1 ASSI { 529} (( segid " A" and resid 131 and name HN )) (( segid " A" and resid 130 and name HA )) 3.100 1.200 1.200 peak 529 spectrum 1 weight 0.10000E+01 volume 0.38580E-02 ppm1 7.764 ppm2 4.050 CV 1 ASSI { 530} (( segid " A" and resid 205 and name HN )) (( segid " A" and resid 202 and name HA )) 2.700 0.900 0.900 peak 530 spectrum 1 weight 0.10000E+01 volume 0.64497E-02 ppm1 8.247 ppm2 3.943 CV 1 ASSI { 531} (( segid " A" and resid 131 and name HN )) (( segid " A" and resid 128 and name HA )) 3.000 1.100 1.100 peak 531 spectrum 1 weight 0.10000E+01 volume 0.27285E-02 ppm1 7.763 ppm2 3.734 CV 1 ASSI { 532} (( segid " A" and resid 205 and name HN )) (( segid " A" and resid 204 and name HG1 )) 4.000 2.000 2.000 peak 532 spectrum 1 weight 0.10000E+01 volume 0.27780E-02 ppm1 8.249 ppm2 2.329 CV 1 OR { 532} (( segid " A" and resid 205 and name HN )) (( segid " A" and resid 288 and name HG1 )) OR { 532} (( segid " A" and resid 205 and name HN )) (( segid " A" and resid 203 and name HG1 )) ASSI { 533} (( segid " A" and resid 131 and name HN )) (( segid " A" and resid 130 and name HB2 )) 2.600 0.800 0.800 peak 533 spectrum 1 weight 0.10000E+01 volume 0.84448E-02 ppm1 7.764 ppm2 2.198 CV 1 OR { 533} (( segid " A" and resid 131 and name HN )) (( segid " A" and resid 130 and name HB1 )) ASSI { 534} (( segid " A" and resid 205 and name HN )) (( segid " A" and resid 204 and name HB2 )) 2.500 0.800 0.800 peak 534 spectrum 1 weight 0.10000E+01 volume 0.47660E-02 ppm1 8.248 ppm2 2.164 CV 1 ASSI { 535} (( segid " A" and resid 205 and name HN )) (( segid " A" and resid 288 and name HB2 )) 4.200 2.200 1.800 peak 535 spectrum 1 weight 0.10000E+01 volume 0.22238E-02 ppm1 8.249 ppm2 1.905 CV 1 ASSI { 536} (( segid " A" and resid 205 and name HN )) ( segid " A" and resid 202 and name HB% ) 2.900 2.900 3.100 peak 536 spectrum 1 weight 0.10000E+01 volume 0.16484E-02 ppm1 8.250 ppm2 1.584 CV 1 ASSI { 537} (( segid " A" and resid 131 and name HN )) ( segid " A" and resid 131 and name HB% ) 2.300 0.600 0.600 peak 537 spectrum 1 weight 0.10000E+01 volume 0.16399E-01 ppm1 7.764 ppm2 1.469 CV 1 ASSI { 538} (( segid " A" and resid 205 and name HN )) ( segid " A" and resid 205 and name HB% ) 2.300 0.700 0.700 peak 538 spectrum 1 weight 0.10000E+01 volume 0.14897E-01 ppm1 8.248 ppm2 1.175 CV 1 ASSI { 540} (( segid " A" and resid 216 and name HN )) (( segid " A" and resid 215 and name HN )) 2.700 0.900 0.900 peak 540 spectrum 1 weight 0.10000E+01 volume 0.44523E-02 ppm1 8.091 ppm2 8.303 CV 1 ASSI { 541} (( segid " A" and resid 207 and name HN )) (( segid " A" and resid 208 and name HN )) 2.900 1.000 1.000 peak 541 spectrum 1 weight 0.10000E+01 volume 0.37661E-02 ppm1 7.325 ppm2 7.723 CV 1 ASSI { 542} (( segid " A" and resid 207 and name HN )) (( segid " A" and resid 206 and name HN )) 2.600 0.800 0.800 peak 542 spectrum 1 weight 0.10000E+01 volume 0.47211E-02 ppm1 7.325 ppm2 7.505 CV 1 ASSI { 543} (( segid " A" and resid 165 and name HN )) (( segid " A" and resid 166 and name HN )) 2.400 0.700 0.700 peak 543 spectrum 1 weight 0.10000E+01 volume 0.70959E-02 ppm1 6.354 ppm2 5.950 CV 1 ASSI { 544} (( segid " A" and resid 216 and name HN )) (( segid " A" and resid 252 and name HA )) 3.800 1.800 1.800 peak 544 spectrum 1 weight 0.10000E+01 volume 0.16852E-02 ppm1 8.087 ppm2 5.642 CV 1 ASSI { 545} (( segid " A" and resid 216 and name HN )) (( segid " A" and resid 214 and name HA )) 3.400 1.400 1.400 peak 545 spectrum 1 weight 0.10000E+01 volume 0.18595E-02 ppm1 8.090 ppm2 5.111 CV 1 ASSI { 546} (( segid " A" and resid 216 and name HN )) (( segid " A" and resid 215 and name HB2 )) 3.600 1.600 1.600 peak 546 spectrum 1 weight 0.10000E+01 volume 0.25657E-02 ppm1 8.091 ppm2 4.301 CV 1 ASSI { 547} (( segid " A" and resid 216 and name HN )) (( segid " A" and resid 251 and name HA2 )) 3.400 1.400 1.400 peak 547 spectrum 1 weight 0.10000E+01 volume 0.22212E-02 ppm1 8.091 ppm2 4.228 CV 1 ASSI { 548} (( segid " A" and resid 207 and name HN )) (( segid " A" and resid 207 and name HA )) 2.800 0.900 0.900 peak 548 spectrum 1 weight 0.10000E+01 volume 0.72657E-02 ppm1 7.325 ppm2 4.143 CV 1 ASSI { 549} (( segid " A" and resid 216 and name HN )) (( segid " A" and resid 215 and name HA )) 2.600 0.800 0.800 peak 549 spectrum 1 weight 0.10000E+01 volume 0.75133E-02 ppm1 8.093 ppm2 3.862 CV 1 ASSI { 550} (( segid " A" and resid 165 and name HN )) (( segid " A" and resid 165 and name HA )) 2.400 0.700 0.700 peak 550 spectrum 1 weight 0.10000E+01 volume 0.57375E-02 ppm1 6.354 ppm2 3.674 CV 1 ASSI { 551} (( segid " A" and resid 216 and name HN )) (( segid " A" and resid 216 and name HA )) 2.800 1.000 1.000 peak 551 spectrum 1 weight 0.10000E+01 volume 0.38321E-02 ppm1 8.092 ppm2 3.560 CV 1 ASSI { 552} (( segid " A" and resid 165 and name HN )) (( segid " A" and resid 164 and name HA )) 3.500 1.500 1.500 peak 552 spectrum 1 weight 0.10000E+01 volume 0.20738E-02 ppm1 6.353 ppm2 3.338 CV 1 ASSI { 553} (( segid " A" and resid 211 and name HN )) (( segid " A" and resid 211 and name HB )) 3.700 1.700 1.700 peak 553 spectrum 1 weight 0.10000E+01 volume 0.16350E-02 ppm1 9.529 ppm2 2.003 CV 1 ASSI { 554} (( segid " A" and resid 207 and name HN )) (( segid " A" and resid 206 and name HB2 )) 2.700 0.900 0.900 peak 554 spectrum 1 weight 0.10000E+01 volume 0.55843E-02 ppm1 7.325 ppm2 2.020 CV 1 OR { 554} (( segid " A" and resid 207 and name HN )) (( segid " A" and resid 206 and name HB1 )) ASSI { 555} (( segid " A" and resid 211 and name HN )) (( segid " A" and resid 210 and name HG2 )) 2.900 1.100 1.100 peak 555 spectrum 1 weight 0.10000E+01 volume 0.19399E-02 ppm1 9.529 ppm2 1.743 CV 1 ASSI { 556} (( segid " A" and resid 165 and name HN )) ( segid " A" and resid 166 and name HB% ) 3.900 1.900 1.900 peak 556 spectrum 1 weight 0.10000E+01 volume 0.26412E-02 ppm1 6.353 ppm2 1.490 CV 1 ASSI { 557} (( segid " A" and resid 216 and name HN )) (( segid " A" and resid 216 and name HB )) 2.400 0.700 0.700 peak 557 spectrum 1 weight 0.10000E+01 volume 0.93975E-02 ppm1 8.092 ppm2 1.313 CV 1 ASSI { 558} (( segid " A" and resid 207 and name HN )) ( segid " A" and resid 207 and name HB% ) 2.300 0.700 0.700 peak 558 spectrum 1 weight 0.10000E+01 volume 0.17385E-01 ppm1 7.325 ppm2 1.180 CV 1 ASSI { 559} (( segid " A" and resid 165 and name HN )) ( segid " A" and resid 162 and name HG1%) 4.600 2.700 1.400 peak 559 spectrum 1 weight 0.10000E+01 volume 0.32425E-02 ppm1 6.355 ppm2 1.076 CV 1 ASSI { 560} (( segid " A" and resid 165 and name HN )) (( segid " A" and resid 164 and name HB2 )) 2.200 0.600 0.600 peak 560 spectrum 1 weight 0.10000E+01 volume 0.10640E-01 ppm1 6.354 ppm2 0.773 CV 1 OR { 560} (( segid " A" and resid 165 and name HN )) (( segid " A" and resid 164 and name HB1 )) ASSI { 561} (( segid " A" and resid 216 and name HN )) ( segid " A" and resid 216 and name HG1%) 3.900 1.900 1.900 peak 561 spectrum 1 weight 0.10000E+01 volume 0.38793E-02 ppm1 8.093 ppm2 0.690 CV 1 ASSI { 562} (( segid " A" and resid 165 and name HN )) ( segid " A" and resid 165 and name HB% ) 2.100 0.600 0.600 peak 562 spectrum 1 weight 0.10000E+01 volume 0.13333E-01 ppm1 6.353 ppm2 0.680 CV 1 ASSI { 563} (( segid " A" and resid 216 and name HN )) ( segid " A" and resid 216 and name HG2%) 2.200 0.600 0.600 peak 563 spectrum 1 weight 0.10000E+01 volume 0.11110E-01 ppm1 8.092 ppm2 0.405 CV 1 ASSI { 565} (( segid " A" and resid 110 and name HN )) (( segid " A" and resid 111 and name HN )) 2.600 0.800 0.800 peak 565 spectrum 1 weight 0.10000E+01 volume 0.41528E-02 ppm1 7.605 ppm2 8.211 CV 1 ASSI { 568} (( segid " A" and resid 111 and name HN )) (( segid " A" and resid 112 and name HN )) 2.900 1.000 1.000 peak 568 spectrum 1 weight 0.10000E+01 volume 0.29407E-02 ppm1 8.215 ppm2 7.252 CV 1 ASSI { 569} (( segid " A" and resid 211 and name HN )) (( segid " A" and resid 210 and name HA )) 2.200 0.600 0.600 peak 569 spectrum 1 weight 0.10000E+01 volume 0.99422E-02 ppm1 9.532 ppm2 5.753 CV 1 ASSI { 570} (( segid " A" and resid 211 and name HN )) (( segid " A" and resid 211 and name HA )) 2.600 0.800 0.800 peak 570 spectrum 1 weight 0.10000E+01 volume 0.39665E-02 ppm1 9.533 ppm2 5.078 CV 1 ASSI { 571} (( segid " A" and resid 222 and name HN )) (( segid " A" and resid 221 and name HA )) 2.400 0.700 0.700 peak 571 spectrum 1 weight 0.10000E+01 volume 0.10640E-01 ppm1 9.209 ppm2 4.789 CV 1 ASSI { 572} (( segid " A" and resid 222 and name HN )) (( segid " A" and resid 221 and name HB2 )) 2.900 1.000 1.000 peak 572 spectrum 1 weight 0.10000E+01 volume 0.60323E-02 ppm1 9.209 ppm2 4.224 CV 1 ASSI { 573} (( segid " A" and resid 110 and name HN )) (( segid " A" and resid 109 and name HA )) 3.400 1.400 1.400 peak 573 spectrum 1 weight 0.10000E+01 volume 0.21969E-02 ppm1 7.603 ppm2 4.128 CV 1 ASSI { 574} (( segid " A" and resid 111 and name HN )) (( segid " A" and resid 108 and name HA )) 2.900 1.100 1.100 peak 574 spectrum 1 weight 0.10000E+01 volume 0.29360E-02 ppm1 8.219 ppm2 4.025 CV 1 ASSI { 575} (( segid " A" and resid 222 and name HN )) (( segid " A" and resid 221 and name HB1 )) 3.000 1.100 1.100 peak 575 spectrum 1 weight 0.10000E+01 volume 0.38415E-02 ppm1 9.209 ppm2 4.009 CV 1 ASSI { 576} (( segid " A" and resid 110 and name HN )) (( segid " A" and resid 107 and name HA )) 3.100 1.200 1.200 peak 576 spectrum 1 weight 0.10000E+01 volume 0.26671E-02 ppm1 7.607 ppm2 3.963 CV 1 ASSI { 577} (( segid " A" and resid 111 and name HN )) (( segid " A" and resid 111 and name HA )) 2.800 1.000 1.000 peak 577 spectrum 1 weight 0.10000E+01 volume 0.48273E-02 ppm1 8.216 ppm2 3.928 CV 1 ASSI { 578} (( segid " A" and resid 222 and name HN )) (( segid " A" and resid 222 and name HA )) 2.700 0.900 0.900 peak 578 spectrum 1 weight 0.10000E+01 volume 0.53272E-02 ppm1 9.210 ppm2 3.759 CV 1 ASSI { 579} (( segid " A" and resid 111 and name HN )) (( segid " A" and resid 110 and name HA )) 3.400 1.500 1.500 peak 579 spectrum 1 weight 0.10000E+01 volume 0.21622E-02 ppm1 8.218 ppm2 3.697 CV 1 ASSI { 580} (( segid " A" and resid 110 and name HN )) (( segid " A" and resid 110 and name HA )) 2.800 1.000 1.000 peak 580 spectrum 1 weight 0.10000E+01 volume 0.50466E-02 ppm1 7.605 ppm2 3.703 CV 1 ASSI { 581} (( segid " A" and resid 222 and name HN )) (( segid " A" and resid 222 and name HB1 )) 2.600 0.900 0.900 peak 581 spectrum 1 weight 0.10000E+01 volume 0.78246E-02 ppm1 9.209 ppm2 2.634 CV 1 OR { 581} (( segid " A" and resid 222 and name HN )) (( segid " A" and resid 222 and name HB2 )) ASSI { 582} (( segid " A" and resid 111 and name HN )) (( segid " A" and resid 111 and name HG1 )) 2.700 0.900 0.900 peak 582 spectrum 1 weight 0.10000E+01 volume 0.44853E-02 ppm1 8.218 ppm2 2.626 CV 1 OR { 582} (( segid " A" and resid 111 and name HN )) (( segid " A" and resid 111 and name HG2 )) ASSI { 583} (( segid " A" and resid 111 and name HN )) (( segid " A" and resid 111 and name HB2 )) 2.500 0.800 0.800 peak 583 spectrum 1 weight 0.10000E+01 volume 0.70204E-02 ppm1 8.216 ppm2 2.320 CV 1 OR { 583} (( segid " A" and resid 111 and name HN )) (( segid " A" and resid 111 and name HB1 )) ASSI { 584} (( segid " A" and resid 110 and name HN )) (( segid " A" and resid 110 and name HB )) 2.300 0.700 0.700 peak 584 spectrum 1 weight 0.10000E+01 volume 0.10185E-01 ppm1 7.605 ppm2 1.904 CV 1 ASSI { 585} (( segid " A" and resid 110 and name HN )) (( segid " A" and resid 110 and name HG11)) 2.300 0.700 0.700 peak 585 spectrum 1 weight 0.10000E+01 volume 0.66454E-02 ppm1 7.603 ppm2 1.735 CV 1 ASSI { 586} (( segid " A" and resid 211 and name HN )) (( segid " A" and resid 210 and name HG1 )) 3.200 1.300 1.300 peak 586 spectrum 1 weight 0.10000E+01 volume 0.19104E-02 ppm1 9.529 ppm2 1.525 CV 1 OR { 586} (( segid " A" and resid 211 and name HN )) ( segid " A" and resid 285 and name HB% ) ASSI { 587} (( segid " A" and resid 110 and name HN )) ( segid " A" and resid 109 and name HB% ) 2.700 0.900 0.900 peak 587 spectrum 1 weight 0.10000E+01 volume 0.77161E-02 ppm1 7.604 ppm2 1.468 CV 1 ASSI { 588} (( segid " A" and resid 211 and name HN )) (( segid " A" and resid 211 and name HG12)) 2.500 0.800 0.800 peak 588 spectrum 1 weight 0.10000E+01 volume 0.37448E-02 ppm1 9.529 ppm2 1.276 CV 1 ASSI { 589} (( segid " A" and resid 211 and name HN )) (( segid " A" and resid 211 and name HG11)) 3.000 1.100 1.100 peak 589 spectrum 1 weight 0.10000E+01 volume 0.39807E-02 ppm1 9.531 ppm2 1.078 CV 1 ASSI { 590} (( segid " A" and resid 110 and name HN )) (( segid " A" and resid 110 and name HG12)) 3.800 1.800 1.800 peak 590 spectrum 1 weight 0.10000E+01 volume 0.33392E-02 ppm1 7.605 ppm2 1.068 CV 1 ASSI { 591} (( segid " A" and resid 211 and name HN )) ( segid " A" and resid 211 and name HG2%) 2.900 1.000 1.000 peak 591 spectrum 1 weight 0.10000E+01 volume 0.40302E-02 ppm1 9.531 ppm2 1.008 CV 1 ASSI { 592} (( segid " A" and resid 111 and name HN )) ( segid " A" and resid 110 and name HG2%) 3.400 1.400 1.400 peak 592 spectrum 1 weight 0.10000E+01 volume 0.41198E-02 ppm1 8.218 ppm2 0.867 CV 1 ASSI { 593} (( segid " A" and resid 110 and name HN )) ( segid " A" and resid 110 and name HG2%) 3.900 1.900 1.900 peak 593 spectrum 1 weight 0.10000E+01 volume 0.43202E-02 ppm1 7.606 ppm2 0.875 CV 1 ASSI { 594} (( segid " A" and resid 211 and name HN )) ( segid " A" and resid 211 and name HD1%) 4.400 2.400 1.600 peak 594 spectrum 1 weight 0.10000E+01 volume 0.18941E-02 ppm1 9.531 ppm2 0.778 CV 1 ASSI { 595} (( segid " A" and resid 111 and name HN )) ( segid " A" and resid 198 and name HD1%) 3.900 1.900 1.900 peak 595 spectrum 1 weight 0.10000E+01 volume 0.18809E-02 ppm1 8.210 ppm2 0.763 CV 1 ASSI { 596} (( segid " A" and resid 110 and name HN )) ( segid " A" and resid 110 and name HD1%) 4.200 2.200 1.800 peak 596 spectrum 1 weight 0.10000E+01 volume 0.29737E-02 ppm1 7.604 ppm2 0.759 CV 1 ASSI { 597} (( segid " A" and resid 222 and name HN )) ( segid " A" and resid 240 and name HD1%) 2.800 1.000 1.000 peak 597 spectrum 1 weight 0.10000E+01 volume 0.46905E-02 ppm1 9.208 ppm2 -0.025 CV 1 ASSI { 598} (( segid " A" and resid 250 and name HN )) (( segid " A" and resid 251 and name HN )) 3.100 1.200 1.200 peak 598 spectrum 1 weight 0.10000E+01 volume 0.22292E-02 ppm1 8.626 ppm2 11.233 CV 1 ASSI { 599} (( segid " A" and resid 250 and name HN )) (( segid " A" and resid 243 and name HN )) 4.100 2.100 1.900 peak 599 spectrum 1 weight 0.10000E+01 volume 0.17281E-02 ppm1 8.626 ppm2 8.480 CV 1 OR { 599} (( segid " A" and resid 250 and name HN )) (( segid " A" and resid 242 and name HN )) ASSI { 600} (( segid " A" and resid 250 and name HN )) (( segid " A" and resid 249 and name HA )) 2.400 0.700 0.700 peak 600 spectrum 1 weight 0.10000E+01 volume 0.63743E-02 ppm1 8.628 ppm2 5.393 CV 1 ASSI { 601} (( segid " A" and resid 250 and name HN )) (( segid " A" and resid 242 and name HA )) 2.500 0.800 0.800 peak 601 spectrum 1 weight 0.10000E+01 volume 0.35892E-02 ppm1 8.629 ppm2 4.742 CV 1 ASSI { 602} (( segid " A" and resid 250 and name HN )) (( segid " A" and resid 250 and name HA )) 2.800 1.000 1.000 peak 602 spectrum 1 weight 0.10000E+01 volume 0.42283E-02 ppm1 8.626 ppm2 4.454 CV 1 ASSI { 603} (( segid " A" and resid 250 and name HN )) (( segid " A" and resid 249 and name HB1 )) 3.800 1.800 1.800 peak 603 spectrum 1 weight 0.10000E+01 volume 0.39170E-02 ppm1 8.628 ppm2 3.303 CV 1 ASSI { 604} (( segid " A" and resid 250 and name HN )) (( segid " A" and resid 249 and name HB2 )) 2.700 0.900 0.900 peak 604 spectrum 1 weight 0.10000E+01 volume 0.33109E-02 ppm1 8.629 ppm2 2.615 CV 1 ASSI { 605} (( segid " A" and resid 250 and name HN )) (( segid " A" and resid 250 and name HB2 )) 2.700 0.900 0.900 peak 605 spectrum 1 weight 0.10000E+01 volume 0.32166E-02 ppm1 8.627 ppm2 2.481 CV 1 ASSI { 606} (( segid " A" and resid 111 and name HN )) (( segid " A" and resid 163 and name HB2 )) 4.900 3.000 1.100 peak 606 spectrum 1 weight 0.10000E+01 volume 0.17522E-02 ppm1 8.220 ppm2 2.175 CV 1 ASSI { 607} (( segid " A" and resid 111 and name HN )) (( segid " A" and resid 110 and name HB )) 2.700 0.900 0.900 peak 607 spectrum 1 weight 0.10000E+01 volume 0.45820E-02 ppm1 8.215 ppm2 1.898 CV 1 ASSI { 608} (( segid " A" and resid 111 and name HN )) (( segid " A" and resid 110 and name HG11)) 4.100 2.100 1.900 peak 608 spectrum 1 weight 0.10000E+01 volume 0.20604E-02 ppm1 8.212 ppm2 1.741 CV 1 OR { 608} (( segid " A" and resid 111 and name HN )) (( segid " A" and resid 163 and name HB1 )) ASSI { 609} (( segid " A" and resid 250 and name HN )) (( segid " A" and resid 250 and name HG2 )) 3.500 1.500 1.500 peak 609 spectrum 1 weight 0.10000E+01 volume 0.36812E-02 ppm1 8.630 ppm2 1.506 CV 1 ASSI { 610} (( segid " A" and resid 250 and name HN )) (( segid " A" and resid 250 and name HB1 )) 3.200 1.300 1.300 peak 610 spectrum 1 weight 0.10000E+01 volume 0.75015E-02 ppm1 8.630 ppm2 1.369 CV 1 ASSI { 611} (( segid " A" and resid 250 and name HN )) ( segid " A" and resid 241 and name HB% ) 3.600 1.600 1.600 peak 611 spectrum 1 weight 0.10000E+01 volume 0.25563E-02 ppm1 8.627 ppm2 0.806 CV 1 ASSI { 612} (( segid " A" and resid 278 and name HN )) (( segid " A" and resid 277 and name HN )) 2.600 0.800 0.800 peak 612 spectrum 1 weight 0.10000E+01 volume 0.77066E-02 ppm1 7.234 ppm2 8.382 CV 1 ASSI { 613} (( segid " A" and resid 183 and name HN )) (( segid " A" and resid 182 and name HA )) 2.200 0.600 0.600 peak 613 spectrum 1 weight 0.10000E+01 volume 0.93527E-02 ppm1 8.358 ppm2 4.873 CV 1 ASSI { 614} (( segid " A" and resid 183 and name HN )) (( segid " A" and resid 183 and name HA )) 2.800 1.000 1.000 peak 614 spectrum 1 weight 0.10000E+01 volume 0.38628E-02 ppm1 8.356 ppm2 4.662 CV 1 ASSI { 615} (( segid " A" and resid 278 and name HN )) (( segid " A" and resid 278 and name HA )) 2.600 0.800 0.800 peak 615 spectrum 1 weight 0.10000E+01 volume 0.89070E-02 ppm1 7.235 ppm2 4.397 CV 1 ASSI { 616} (( segid " A" and resid 278 and name HN )) (( segid " A" and resid 277 and name HA2 )) 3.400 1.500 1.500 peak 616 spectrum 1 weight 0.10000E+01 volume 0.36128E-02 ppm1 7.233 ppm2 4.085 CV 1 ASSI { 617} (( segid " A" and resid 278 and name HN )) (( segid " A" and resid 277 and name HA1 )) 3.000 1.100 1.100 peak 617 spectrum 1 weight 0.10000E+01 volume 0.45608E-02 ppm1 7.235 ppm2 3.624 CV 1 ASSI { 618} (( segid " A" and resid 183 and name HN )) (( segid " A" and resid 182 and name HB1 )) 3.800 1.800 1.800 peak 618 spectrum 1 weight 0.10000E+01 volume 0.26836E-02 ppm1 8.357 ppm2 2.547 CV 1 OR { 618} (( segid " A" and resid 183 and name HN )) (( segid " A" and resid 182 and name HB2 )) ASSI { 619} (( segid " A" and resid 278 and name HN )) (( segid " A" and resid 278 and name HG2 )) 4.000 2.000 2.000 peak 619 spectrum 1 weight 0.10000E+01 volume 0.29360E-02 ppm1 7.235 ppm2 2.383 CV 1 ASSI { 620} (( segid " A" and resid 278 and name HN )) (( segid " A" and resid 278 and name HG1 )) 3.100 1.200 1.200 peak 620 spectrum 1 weight 0.10000E+01 volume 0.25422E-02 ppm1 7.232 ppm2 2.312 CV 1 ASSI { 621} (( segid " A" and resid 278 and name HN )) (( segid " A" and resid 278 and name HB2 )) 2.700 0.900 0.900 peak 621 spectrum 1 weight 0.10000E+01 volume 0.45490E-02 ppm1 7.234 ppm2 2.148 CV 1 ASSI { 622} (( segid " A" and resid 183 and name HN )) (( segid " A" and resid 183 and name HB )) 3.800 1.800 1.800 peak 622 spectrum 1 weight 0.10000E+01 volume 0.19370E-02 ppm1 8.358 ppm2 2.046 CV 1 ASSI { 623} (( segid " A" and resid 278 and name HN )) (( segid " A" and resid 278 and name HB1 )) 3.600 1.600 1.600 peak 623 spectrum 1 weight 0.10000E+01 volume 0.56314E-02 ppm1 7.235 ppm2 2.012 CV 1 ASSI { 624} (( segid " A" and resid 183 and name HN )) (( segid " A" and resid 183 and name HG12)) 2.300 0.700 0.700 peak 624 spectrum 1 weight 0.10000E+01 volume 0.78764E-02 ppm1 8.357 ppm2 1.525 CV 1 OR { 624} (( segid " A" and resid 183 and name HN )) (( segid " A" and resid 183 and name HG11)) ASSI { 625} (( segid " A" and resid 183 and name HN )) ( segid " A" and resid 183 and name HG2%) 2.600 0.800 0.800 peak 625 spectrum 1 weight 0.10000E+01 volume 0.49098E-02 ppm1 8.358 ppm2 0.969 CV 1 ASSI { 629} (( segid " A" and resid 271 and name HN )) (( segid " A" and resid 270 and name HA )) 3.100 1.200 1.200 peak 629 spectrum 1 weight 0.10000E+01 volume 0.28464E-02 ppm1 7.515 ppm2 4.900 CV 1 ASSI { 630} (( segid " A" and resid 271 and name HN )) (( segid " A" and resid 271 and name HA )) 2.700 0.900 0.900 peak 630 spectrum 1 weight 0.10000E+01 volume 0.57517E-02 ppm1 7.515 ppm2 4.460 CV 1 ASSI { 631} (( segid " A" and resid 108 and name HN )) (( segid " A" and resid 108 and name HA )) 2.500 0.800 0.800 peak 631 spectrum 1 weight 0.10000E+01 volume 0.61832E-02 ppm1 8.171 ppm2 4.010 CV 1 ASSI { 632} (( segid " A" and resid 271 and name HN )) (( segid " A" and resid 267 and name HA )) 3.600 1.600 1.600 peak 632 spectrum 1 weight 0.10000E+01 volume 0.16986E-02 ppm1 7.519 ppm2 3.466 CV 1 ASSI { 633} (( segid " A" and resid 271 and name HN )) (( segid " A" and resid 271 and name HB2 )) 2.400 0.700 0.700 peak 633 spectrum 1 weight 0.10000E+01 volume 0.10808E-01 ppm1 7.515 ppm2 2.983 CV 1 ASSI { 634} (( segid " A" and resid 271 and name HN )) (( segid " A" and resid 271 and name HB1 )) 2.500 0.800 0.800 peak 634 spectrum 1 weight 0.10000E+01 volume 0.10093E-01 ppm1 7.515 ppm2 2.878 CV 1 ASSI { 635} (( segid " A" and resid 271 and name HN )) (( segid " A" and resid 270 and name HB2 )) 3.200 1.300 1.300 peak 635 spectrum 1 weight 0.10000E+01 volume 0.18352E-02 ppm1 7.511 ppm2 2.000 CV 1 ASSI { 636} (( segid " A" and resid 108 and name HN )) (( segid " A" and resid 108 and name HB1 )) 3.300 1.400 1.400 peak 636 spectrum 1 weight 0.10000E+01 volume 0.73623E-02 ppm1 8.172 ppm2 1.831 CV 1 ASSI { 637} (( segid " A" and resid 271 and name HN )) (( segid " A" and resid 270 and name HB1 )) 3.300 1.400 1.400 peak 637 spectrum 1 weight 0.10000E+01 volume 0.45914E-02 ppm1 7.513 ppm2 1.843 CV 1 OR { 637} (( segid " A" and resid 271 and name HN )) (( segid " A" and resid 282 and name HB )) ASSI { 638} (( segid " A" and resid 108 and name HN )) (( segid " A" and resid 108 and name HG )) 2.300 0.700 0.700 peak 638 spectrum 1 weight 0.10000E+01 volume 0.83693E-02 ppm1 8.173 ppm2 1.741 CV 1 ASSI { 639} (( segid " A" and resid 108 and name HN )) (( segid " A" and resid 108 and name HB2 )) 2.300 0.600 0.600 peak 639 spectrum 1 weight 0.10000E+01 volume 0.10305E-01 ppm1 8.172 ppm2 1.502 CV 1 ASSI { 640} (( segid " A" and resid 271 and name HN )) ( segid " A" and resid 282 and name HG1%) 3.100 1.200 1.200 peak 640 spectrum 1 weight 0.10000E+01 volume 0.40467E-02 ppm1 7.514 ppm2 1.036 CV 1 OR { 640} (( segid " A" and resid 271 and name HN )) ( segid " A" and resid 282 and name HG2%) ASSI { 641} (( segid " A" and resid 114 and name HN )) (( segid " A" and resid 158 and name HN )) 3.000 1.100 1.100 peak 641 spectrum 1 weight 0.10000E+01 volume 0.28299E-02 ppm1 9.114 ppm2 8.915 CV 1 ASSI { 642} (( segid " A" and resid 114 and name HN )) (( segid " A" and resid 113 and name HA )) 2.200 0.600 0.600 peak 642 spectrum 1 weight 0.10000E+01 volume 0.11808E-01 ppm1 9.113 ppm2 5.394 CV 1 ASSI { 643} (( segid " A" and resid 114 and name HN )) (( segid " A" and resid 159 and name HA )) 3.600 1.600 1.600 peak 643 spectrum 1 weight 0.10000E+01 volume 0.28770E-02 ppm1 9.115 ppm2 5.035 CV 1 ASSI { 644} (( segid " A" and resid 114 and name HN )) (( segid " A" and resid 114 and name HA )) 2.900 1.100 1.100 peak 644 spectrum 1 weight 0.10000E+01 volume 0.29431E-02 ppm1 9.114 ppm2 4.739 CV 1 ASSI { 645} (( segid " A" and resid 114 and name HN )) (( segid " A" and resid 113 and name HB2 )) 3.600 1.600 1.600 peak 645 spectrum 1 weight 0.10000E+01 volume 0.40891E-02 ppm1 9.116 ppm2 1.767 CV 1 ASSI { 646} (( segid " A" and resid 114 and name HN )) (( segid " A" and resid 113 and name HG1 )) 4.400 2.500 1.600 peak 646 spectrum 1 weight 0.10000E+01 volume 0.25988E-02 ppm1 9.114 ppm2 1.440 CV 1 ASSI { 647} (( segid " A" and resid 114 and name HN )) ( segid " A" and resid 114 and name HG1%) 2.600 0.800 0.800 peak 647 spectrum 1 weight 0.10000E+01 volume 0.56998E-02 ppm1 9.113 ppm2 0.930 CV 1 ASSI { 650} (( segid " A" and resid 225 and name HN )) (( segid " A" and resid 224 and name HA )) 3.200 1.300 1.300 peak 650 spectrum 1 weight 0.10000E+01 volume 0.32591E-02 ppm1 7.368 ppm2 4.427 CV 1 ASSI { 651} (( segid " A" and resid 225 and name HN )) (( segid " A" and resid 225 and name HA )) 2.700 0.900 0.900 peak 651 spectrum 1 weight 0.10000E+01 volume 0.46362E-02 ppm1 7.370 ppm2 3.968 CV 1 ASSI { 652} (( segid " A" and resid 225 and name HN )) (( segid " A" and resid 222 and name HA )) 3.200 1.200 1.200 peak 652 spectrum 1 weight 0.10000E+01 volume 0.19665E-02 ppm1 7.370 ppm2 3.752 CV 1 ASSI { 653} (( segid " A" and resid 225 and name HN )) (( segid " A" and resid 224 and name HB1 )) 2.900 1.000 1.000 peak 653 spectrum 1 weight 0.10000E+01 volume 0.38109E-02 ppm1 7.370 ppm2 3.008 CV 1 ASSI { 654} (( segid " A" and resid 225 and name HN )) (( segid " A" and resid 224 and name HB2 )) 2.900 1.000 1.000 peak 654 spectrum 1 weight 0.10000E+01 volume 0.35208E-02 ppm1 7.369 ppm2 2.700 CV 1 ASSI { 655} (( segid " A" and resid 114 and name HN )) (( segid " A" and resid 114 and name HB )) 3.000 1.100 1.100 peak 655 spectrum 1 weight 0.10000E+01 volume 0.31977E-02 ppm1 9.114 ppm2 2.108 CV 1 ASSI { 656} (( segid " A" and resid 225 and name HN )) (( segid " A" and resid 225 and name HB )) 2.400 0.700 0.700 peak 656 spectrum 1 weight 0.10000E+01 volume 0.95649E-02 ppm1 7.370 ppm2 1.905 CV 1 ASSI { 657} (( segid " A" and resid 225 and name HN )) (( segid " A" and resid 225 and name HG12)) 2.100 0.600 0.600 peak 657 spectrum 1 weight 0.10000E+01 volume 0.64804E-02 ppm1 7.369 ppm2 1.533 CV 1 ASSI { 658} (( segid " A" and resid 225 and name HN )) (( segid " A" and resid 225 and name HG11)) 3.700 1.700 1.700 peak 658 spectrum 1 weight 0.10000E+01 volume 0.50159E-02 ppm1 7.369 ppm2 1.077 CV 1 ASSI { 659} (( segid " A" and resid 225 and name HN )) ( segid " A" and resid 225 and name HG2%) 3.500 1.500 1.500 peak 659 spectrum 1 weight 0.10000E+01 volume 0.67940E-02 ppm1 7.368 ppm2 0.662 CV 1 ASSI { 661} (( segid " A" and resid 228 and name HN )) (( segid " A" and resid 229 and name HN )) 2.400 0.700 0.700 peak 661 spectrum 1 weight 0.10000E+01 volume 0.66879E-02 ppm1 7.210 ppm2 8.287 CV 1 ASSI { 662} (( segid " A" and resid 228 and name HN )) (( segid " A" and resid 227 and name HN )) 2.600 0.800 0.800 peak 662 spectrum 1 weight 0.10000E+01 volume 0.57588E-02 ppm1 7.209 ppm2 7.828 CV 1 ASSI { 663} (( segid " A" and resid 229 and name HN )) ( segid " A" and resid 229 and name HD% ) 2.100 0.600 0.600 peak 663 spectrum 1 weight 0.10000E+01 volume 0.91098E-02 ppm1 8.288 ppm2 7.797 CV 1 ASSI { 666} (( segid " A" and resid 170 and name HN )) (( segid " A" and resid 171 and name HN )) 2.600 0.900 0.900 peak 666 spectrum 1 weight 0.10000E+01 volume 0.44146E-02 ppm1 8.017 ppm2 7.620 CV 1 ASSI { 667} (( segid " A" and resid 166 and name HN )) (( segid " A" and resid 167 and name HN )) 2.800 0.900 0.900 peak 667 spectrum 1 weight 0.10000E+01 volume 0.42118E-02 ppm1 5.955 ppm2 7.392 CV 1 ASSI { 669} (( segid " A" and resid 166 and name HN )) ( segid " A" and resid 160 and name HD% ) 3.500 1.500 1.500 peak 669 spectrum 1 weight 0.10000E+01 volume 0.22533E-02 ppm1 5.954 ppm2 6.824 CV 1 ASSI { 671} (( segid " A" and resid 229 and name HN )) (( segid " A" and resid 229 and name HA )) 2.700 0.900 0.900 peak 671 spectrum 1 weight 0.10000E+01 volume 0.40396E-02 ppm1 8.287 ppm2 4.427 CV 1 ASSI { 672} (( segid " A" and resid 228 and name HN )) (( segid " A" and resid 224 and name HA )) 3.600 1.600 1.600 peak 672 spectrum 1 weight 0.10000E+01 volume 0.16772E-02 ppm1 7.209 ppm2 4.430 CV 1 ASSI { 673} (( segid " A" and resid 228 and name HN )) (( segid " A" and resid 227 and name HA )) 3.200 1.200 1.200 peak 673 spectrum 1 weight 0.10000E+01 volume 0.32968E-02 ppm1 7.211 ppm2 4.263 CV 1 ASSI { 674} (( segid " A" and resid 166 and name HN )) (( segid " A" and resid 163 and name HA )) 3.000 1.100 1.100 peak 674 spectrum 1 weight 0.10000E+01 volume 0.31930E-02 ppm1 5.955 ppm2 4.173 CV 1 ASSI { 675} (( segid " A" and resid 168 and name HN )) (( segid " A" and resid 168 and name HA )) 2.700 0.900 0.900 peak 675 spectrum 1 weight 0.10000E+01 volume 0.53579E-02 ppm1 7.492 ppm2 4.051 CV 1 ASSI { 676} (( segid " A" and resid 229 and name HN )) (( segid " A" and resid 228 and name HA )) 3.000 1.100 1.100 peak 676 spectrum 1 weight 0.10000E+01 volume 0.39500E-02 ppm1 8.287 ppm2 3.957 CV 1 ASSI { 677} (( segid " A" and resid 228 and name HN )) (( segid " A" and resid 228 and name HA )) 2.400 0.800 0.800 peak 677 spectrum 1 weight 0.10000E+01 volume 0.11489E-01 ppm1 7.210 ppm2 3.960 CV 1 ASSI { 678} (( segid " A" and resid 170 and name HN )) (( segid " A" and resid 170 and name HA )) 2.500 0.800 0.800 peak 678 spectrum 1 weight 0.10000E+01 volume 0.78340E-02 ppm1 8.016 ppm2 3.763 CV 1 ASSI { 679} (( segid " A" and resid 229 and name HN )) (( segid " A" and resid 226 and name HA )) 3.400 1.500 1.500 peak 679 spectrum 1 weight 0.10000E+01 volume 0.20229E-02 ppm1 8.288 ppm2 3.720 CV 1 ASSI { 681} (( segid " A" and resid 166 and name HN )) (( segid " A" and resid 165 and name HA )) 2.600 0.900 0.900 peak 681 spectrum 1 weight 0.10000E+01 volume 0.66337E-02 ppm1 5.955 ppm2 3.676 CV 1 ASSI { 682} (( segid " A" and resid 229 and name HN )) (( segid " A" and resid 229 and name HB1 )) 3.400 1.400 1.400 peak 682 spectrum 1 weight 0.10000E+01 volume 0.44051E-02 ppm1 8.287 ppm2 3.543 CV 1 ASSI { 683} (( segid " A" and resid 229 and name HN )) (( segid " A" and resid 229 and name HB2 )) 2.100 0.600 0.600 peak 683 spectrum 1 weight 0.10000E+01 volume 0.68695E-02 ppm1 8.287 ppm2 2.852 CV 1 ASSI { 684} (( segid " A" and resid 170 and name HN )) (( segid " A" and resid 169 and name HA )) 3.300 1.400 1.400 peak 684 spectrum 1 weight 0.10000E+01 volume 0.25657E-02 ppm1 8.018 ppm2 2.407 CV 1 ASSI { 685} (( segid " A" and resid 168 and name HN )) (( segid " A" and resid 167 and name HG2 )) 4.000 2.000 2.000 peak 685 spectrum 1 weight 0.10000E+01 volume 0.21328E-02 ppm1 7.493 ppm2 2.387 CV 1 OR { 685} (( segid " A" and resid 168 and name HN )) (( segid " A" and resid 169 and name HA )) ASSI { 686} (( segid " A" and resid 168 and name HN )) (( segid " A" and resid 167 and name HG1 )) 4.200 2.200 1.800 peak 686 spectrum 1 weight 0.10000E+01 volume 0.19370E-02 ppm1 7.488 ppm2 2.196 CV 1 OR { 686} (( segid " A" and resid 206 and name HN )) (( segid " A" and resid 203 and name HB1 )) OR { 686} (( segid " A" and resid 168 and name HN )) (( segid " A" and resid 171 and name HB1 )) OR { 686} (( segid " A" and resid 206 and name HN )) (( segid " A" and resid 203 and name HB2 )) ASSI { 687} (( segid " A" and resid 229 and name HN )) (( segid " A" and resid 228 and name HB )) 2.400 0.700 0.700 peak 687 spectrum 1 weight 0.10000E+01 volume 0.60700E-02 ppm1 8.288 ppm2 2.118 CV 1 ASSI { 688} (( segid " A" and resid 228 and name HN )) (( segid " A" and resid 228 and name HB )) 2.300 0.700 0.700 peak 688 spectrum 1 weight 0.10000E+01 volume 0.12020E-01 ppm1 7.210 ppm2 2.117 CV 1 ASSI { 689} (( segid " A" and resid 168 and name HN )) (( segid " A" and resid 168 and name HB2 )) 2.500 0.800 0.800 peak 689 spectrum 1 weight 0.10000E+01 volume 0.13548E-01 ppm1 7.491 ppm2 1.912 CV 1 OR { 689} (( segid " A" and resid 168 and name HN )) (( segid " A" and resid 168 and name HG )) ASSI { 690} (( segid " A" and resid 170 and name HN )) (( segid " A" and resid 170 and name HB2 )) 2.400 0.700 0.700 peak 690 spectrum 1 weight 0.10000E+01 volume 0.94116E-02 ppm1 8.017 ppm2 1.806 CV 1 ASSI { 691} (( segid " A" and resid 170 and name HN )) (( segid " A" and resid 170 and name HB1 )) 2.400 0.700 0.700 peak 691 spectrum 1 weight 0.10000E+01 volume 0.66454E-02 ppm1 8.017 ppm2 1.596 CV 1 ASSI { 692} (( segid " A" and resid 168 and name HN )) (( segid " A" and resid 168 and name HB1 )) 2.400 0.700 0.700 peak 692 spectrum 1 weight 0.10000E+01 volume 0.45278E-02 ppm1 7.490 ppm2 1.570 CV 1 ASSI { 693} (( segid " A" and resid 166 and name HN )) ( segid " A" and resid 166 and name HB% ) 2.400 0.700 0.700 peak 693 spectrum 1 weight 0.10000E+01 volume 0.12414E-01 ppm1 5.956 ppm2 1.489 CV 1 ASSI { 694} (( segid " A" and resid 170 and name HN )) ( segid " A" and resid 169 and name HB% ) 2.600 0.800 0.800 peak 694 spectrum 1 weight 0.10000E+01 volume 0.65936E-02 ppm1 8.015 ppm2 1.374 CV 1 ASSI { 695} (( segid " A" and resid 168 and name HN )) ( segid " A" and resid 169 and name HB% ) 4.300 2.300 1.700 peak 695 spectrum 1 weight 0.10000E+01 volume 0.17896E-02 ppm1 7.491 ppm2 1.375 CV 1 ASSI { 696} (( segid " A" and resid 229 and name HN )) ( segid " A" and resid 228 and name HG1%) 3.500 1.600 1.600 peak 696 spectrum 1 weight 0.10000E+01 volume 0.33274E-02 ppm1 8.288 ppm2 1.080 CV 1 OR { 696} (( segid " A" and resid 229 and name HN )) ( segid " A" and resid 280 and name HD1%) ASSI { 697} (( segid " A" and resid 228 and name HN )) ( segid " A" and resid 228 and name HG1%) 3.200 1.300 1.300 peak 697 spectrum 1 weight 0.10000E+01 volume 0.12671E-01 ppm1 7.210 ppm2 1.080 CV 1 ASSI { 698} (( segid " A" and resid 168 and name HN )) ( segid " A" and resid 168 and name HD2%) 4.200 2.200 1.800 peak 698 spectrum 1 weight 0.10000E+01 volume 0.30704E-02 ppm1 7.489 ppm2 1.048 CV 1 ASSI { 699} (( segid " A" and resid 170 and name HN )) ( segid " A" and resid 114 and name HG2%) 3.600 1.600 1.600 peak 699 spectrum 1 weight 0.10000E+01 volume 0.31034E-02 ppm1 8.016 ppm2 0.949 CV 1 ASSI { 700} (( segid " A" and resid 168 and name HN )) ( segid " A" and resid 168 and name HD1%) 4.100 2.100 1.900 peak 700 spectrum 1 weight 0.10000E+01 volume 0.30397E-02 ppm1 7.492 ppm2 0.936 CV 1 ASSI { 701} (( segid " A" and resid 170 and name HN )) ( segid " A" and resid 170 and name HD2%) 4.000 2.000 2.000 peak 701 spectrum 1 weight 0.10000E+01 volume 0.41528E-02 ppm1 8.016 ppm2 0.819 CV 1 OR { 701} (( segid " A" and resid 170 and name HN )) ( segid " A" and resid 170 and name HD1%) ASSI { 702} (( segid " A" and resid 229 and name HN )) ( segid " A" and resid 228 and name HG2%) 3.400 1.400 1.400 peak 702 spectrum 1 weight 0.10000E+01 volume 0.54781E-02 ppm1 8.288 ppm2 0.700 CV 1 OR { 702} (( segid " A" and resid 229 and name HN )) ( segid " A" and resid 235 and name HD1%) ASSI { 703} (( segid " A" and resid 228 and name HN )) ( segid " A" and resid 228 and name HG2%) 2.600 0.800 0.800 peak 703 spectrum 1 weight 0.10000E+01 volume 0.55843E-02 ppm1 7.211 ppm2 0.695 CV 1 ASSI { 704} (( segid " A" and resid 166 and name HN )) ( segid " A" and resid 165 and name HB% ) 2.700 0.900 0.900 peak 704 spectrum 1 weight 0.10000E+01 volume 0.63200E-02 ppm1 5.955 ppm2 0.677 CV 1 ASSI { 705} (( segid " A" and resid 229 and name HN )) ( segid " A" and resid 255 and name HD1%) 4.200 2.200 1.800 peak 705 spectrum 1 weight 0.10000E+01 volume 0.17175E-02 ppm1 8.291 ppm2 -0.099 CV 1 ASSI { 707} (( segid " A" and resid 206 and name HN )) (( segid " A" and resid 205 and name HN )) 2.600 0.800 0.800 peak 707 spectrum 1 weight 0.10000E+01 volume 0.48131E-02 ppm1 7.506 ppm2 8.248 CV 1 ASSI { 709} (( segid " A" and resid 197 and name HN )) (( segid " A" and resid 196 and name HA )) 3.500 1.600 1.600 peak 709 spectrum 1 weight 0.10000E+01 volume 0.20309E-02 ppm1 7.172 ppm2 4.484 CV 1 ASSI { 710} (( segid " A" and resid 206 and name HN )) (( segid " A" and resid 206 and name HA )) 2.500 0.800 0.800 peak 710 spectrum 1 weight 0.10000E+01 volume 0.10367E-01 ppm1 7.507 ppm2 4.217 CV 1 ASSI { 711} (( segid " A" and resid 206 and name HN )) (( segid " A" and resid 203 and name HA )) 3.000 1.200 1.200 peak 711 spectrum 1 weight 0.10000E+01 volume 0.55701E-02 ppm1 7.506 ppm2 4.084 CV 1 ASSI { 712} (( segid " A" and resid 197 and name HN )) (( segid " A" and resid 197 and name HA )) 2.700 0.900 0.900 peak 712 spectrum 1 weight 0.10000E+01 volume 0.55394E-02 ppm1 7.174 ppm2 3.908 CV 1 ASSI { 713} (( segid " A" and resid 206 and name HN )) (( segid " A" and resid 205 and name HA )) 3.400 1.400 1.400 peak 713 spectrum 1 weight 0.10000E+01 volume 0.20309E-02 ppm1 7.507 ppm2 3.898 CV 1 ASSI { 714} (( segid " A" and resid 197 and name HN )) (( segid " A" and resid 196 and name HD1 )) 3.700 1.700 1.700 peak 714 spectrum 1 weight 0.10000E+01 volume 0.30728E-02 ppm1 7.176 ppm2 3.541 CV 1 ASSI { 715} (( segid " A" and resid 206 and name HN )) (( segid " A" and resid 206 and name HD1 )) 4.400 2.400 1.600 peak 715 spectrum 1 weight 0.10000E+01 volume 0.21193E-02 ppm1 7.504 ppm2 3.303 CV 1 OR { 715} (( segid " A" and resid 206 and name HN )) (( segid " A" and resid 206 and name HD2 )) ASSI { 716} (( segid " A" and resid 197 and name HN )) (( segid " A" and resid 196 and name HB2 )) 2.900 1.000 1.000 peak 716 spectrum 1 weight 0.10000E+01 volume 0.17845E-02 ppm1 7.175 ppm2 2.408 CV 1 ASSI { 717} (( segid " A" and resid 206 and name HN )) (( segid " A" and resid 206 and name HB2 )) 2.200 0.600 0.600 peak 717 spectrum 1 weight 0.10000E+01 volume 0.25304E-01 ppm1 7.506 ppm2 2.022 CV 1 OR { 717} (( segid " A" and resid 206 and name HN )) (( segid " A" and resid 206 and name HB1 )) ASSI { 718} (( segid " A" and resid 197 and name HN )) (( segid " A" and resid 197 and name HB )) 2.400 0.700 0.700 peak 718 spectrum 1 weight 0.10000E+01 volume 0.10702E-01 ppm1 7.173 ppm2 2.019 CV 1 OR { 718} (( segid " A" and resid 197 and name HN )) (( segid " A" and resid 196 and name HG2 )) ASSI { 719} (( segid " A" and resid 206 and name HN )) (( segid " A" and resid 206 and name HG2 )) 3.500 1.500 1.500 peak 719 spectrum 1 weight 0.10000E+01 volume 0.42967E-02 ppm1 7.506 ppm2 1.783 CV 1 ASSI { 720} (( segid " A" and resid 197 and name HN )) (( segid " A" and resid 196 and name HB1 )) 4.100 2.100 1.900 peak 720 spectrum 1 weight 0.10000E+01 volume 0.27473E-02 ppm1 7.174 ppm2 1.789 CV 1 ASSI { 721} (( segid " A" and resid 197 and name HN )) (( segid " A" and resid 197 and name HG12)) 3.300 1.300 1.300 peak 721 spectrum 1 weight 0.10000E+01 volume 0.62068E-02 ppm1 7.173 ppm2 1.493 CV 1 ASSI { 722} (( segid " A" and resid 197 and name HN )) (( segid " A" and resid 197 and name HG11)) 2.400 0.700 0.700 peak 722 spectrum 1 weight 0.10000E+01 volume 0.49334E-02 ppm1 7.174 ppm2 1.349 CV 1 ASSI { 723} (( segid " A" and resid 206 and name HN )) ( segid " A" and resid 205 and name HB% ) 2.700 0.900 0.900 peak 723 spectrum 1 weight 0.10000E+01 volume 0.79307E-02 ppm1 7.506 ppm2 1.175 CV 1 ASSI { 724} (( segid " A" and resid 197 and name HN )) ( segid " A" and resid 197 and name HG2%) 4.000 2.000 2.000 peak 724 spectrum 1 weight 0.10000E+01 volume 0.35090E-02 ppm1 7.174 ppm2 0.907 CV 1 ASSI { 725} (( segid " A" and resid 197 and name HN )) ( segid " A" and resid 197 and name HD1%) 4.200 2.200 1.800 peak 725 spectrum 1 weight 0.10000E+01 volume 0.28723E-02 ppm1 7.171 ppm2 0.819 CV 1 ASSI { 727} (( segid " A" and resid 267 and name HN )) (( segid " A" and resid 264 and name HA )) 3.100 1.200 1.200 peak 727 spectrum 1 weight 0.10000E+01 volume 0.34406E-02 ppm1 7.570 ppm2 3.961 CV 1 ASSI { 728} (( segid " A" and resid 267 and name HN )) (( segid " A" and resid 267 and name HA )) 2.400 0.700 0.700 peak 728 spectrum 1 weight 0.10000E+01 volume 0.66879E-02 ppm1 7.571 ppm2 3.460 CV 1 ASSI { 729} (( segid " A" and resid 267 and name HN )) (( segid " A" and resid 266 and name HA )) 3.200 1.300 1.300 peak 729 spectrum 1 weight 0.10000E+01 volume 0.27167E-02 ppm1 7.573 ppm2 2.364 CV 1 ASSI { 730} (( segid " A" and resid 267 and name HN )) (( segid " A" and resid 267 and name HB )) 2.300 0.600 0.600 peak 730 spectrum 1 weight 0.10000E+01 volume 0.13805E-01 ppm1 7.572 ppm2 2.086 CV 1 ASSI { 731} (( segid " A" and resid 267 and name HN )) ( segid " A" and resid 266 and name HB% ) 2.500 0.800 0.800 peak 731 spectrum 1 weight 0.10000E+01 volume 0.71171E-02 ppm1 7.571 ppm2 1.362 CV 1 ASSI { 732} (( segid " A" and resid 267 and name HN )) ( segid " A" and resid 267 and name HG2%) 2.100 0.600 0.600 peak 732 spectrum 1 weight 0.10000E+01 volume 0.17597E-01 ppm1 7.571 ppm2 1.020 CV 1 OR { 732} (( segid " A" and resid 267 and name HN )) ( segid " A" and resid 267 and name HG1%) ASSI { 734} (( segid " A" and resid 171 and name HN )) (( segid " A" and resid 172 and name HN )) 2.700 0.900 0.900 peak 734 spectrum 1 weight 0.10000E+01 volume 0.38698E-02 ppm1 7.620 ppm2 8.175 CV 1 ASSI { 736} (( segid " A" and resid 259 and name HN )) ( segid " A" and resid 257 and name HD% ) 4.000 2.000 2.000 peak 736 spectrum 1 weight 0.10000E+01 volume 0.21059E-02 ppm1 8.773 ppm2 6.978 CV 1 OR { 736} (( segid " A" and resid 259 and name HN )) (( segid " A" and resid 263 and name HN )) ASSI { 737} (( segid " A" and resid 259 and name HN )) (( segid " A" and resid 257 and name HA )) 4.000 2.000 2.000 peak 737 spectrum 1 weight 0.10000E+01 volume 0.18085E-02 ppm1 8.771 ppm2 4.968 CV 1 ASSI { 738} (( segid " A" and resid 221 and name HN )) (( segid " A" and resid 221 and name HA )) 2.900 1.000 1.000 peak 738 spectrum 1 weight 0.10000E+01 volume 0.38486E-02 ppm1 9.493 ppm2 4.787 CV 1 ASSI { 739} (( segid " A" and resid 259 and name HN )) (( segid " A" and resid 259 and name HA )) 3.000 1.100 1.100 peak 739 spectrum 1 weight 0.10000E+01 volume 0.36057E-02 ppm1 8.774 ppm2 4.761 CV 1 ASSI { 740} (( segid " A" and resid 221 and name HN )) (( segid " A" and resid 220 and name HA )) 2.400 0.700 0.700 peak 740 spectrum 1 weight 0.10000E+01 volume 0.94895E-02 ppm1 9.493 ppm2 4.639 CV 1 ASSI { 741} (( segid " A" and resid 174 and name HN )) (( segid " A" and resid 174 and name HA )) 3.300 1.300 1.300 peak 741 spectrum 1 weight 0.10000E+01 volume 0.25775E-02 ppm1 7.239 ppm2 4.505 CV 1 ASSI { 742} (( segid " A" and resid 223 and name HN )) (( segid " A" and resid 223 and name HA )) 3.400 1.400 1.400 peak 742 spectrum 1 weight 0.10000E+01 volume 0.18540E-02 ppm1 8.320 ppm2 4.426 CV 1 ASSI { 743} (( segid " A" and resid 221 and name HN )) (( segid " A" and resid 221 and name HB2 )) 3.200 1.300 1.300 peak 743 spectrum 1 weight 0.10000E+01 volume 0.23568E-02 ppm1 9.493 ppm2 4.225 CV 1 ASSI { 744} (( segid " A" and resid 259 and name HN )) (( segid " A" and resid 258 and name HA )) 3.400 1.500 1.500 peak 744 spectrum 1 weight 0.10000E+01 volume 0.23530E-02 ppm1 8.775 ppm2 4.135 CV 1 ASSI { 745} (( segid " A" and resid 171 and name HN )) (( segid " A" and resid 171 and name HA )) 2.500 0.800 0.800 peak 745 spectrum 1 weight 0.10000E+01 volume 0.93126E-02 ppm1 7.620 ppm2 4.059 CV 1 ASSI { 746} (( segid " A" and resid 171 and name HN )) (( segid " A" and resid 170 and name HA )) 3.000 1.100 1.100 peak 746 spectrum 1 weight 0.10000E+01 volume 0.34194E-02 ppm1 7.620 ppm2 3.759 CV 1 ASSI { 747} (( segid " A" and resid 259 and name HN )) (( segid " A" and resid 257 and name HB2 )) 3.300 1.400 1.400 peak 747 spectrum 1 weight 0.10000E+01 volume 0.36340E-02 ppm1 8.769 ppm2 3.597 CV 1 ASSI { 748} (( segid " A" and resid 174 and name HN )) (( segid " A" and resid 174 and name HB2 )) 3.600 1.600 1.600 peak 748 spectrum 1 weight 0.10000E+01 volume 0.27615E-02 ppm1 7.237 ppm2 2.986 CV 1 ASSI { 749} (( segid " A" and resid 174 and name HN )) (( segid " A" and resid 174 and name HB1 )) 3.100 1.200 1.200 peak 749 spectrum 1 weight 0.10000E+01 volume 0.24903E-02 ppm1 7.236 ppm2 2.903 CV 1 ASSI { 750} (( segid " A" and resid 259 and name HN )) (( segid " A" and resid 262 and name HB2 )) 2.800 1.000 1.000 peak 750 spectrum 1 weight 0.10000E+01 volume 0.27473E-02 ppm1 8.772 ppm2 2.786 CV 1 OR { 750} (( segid " A" and resid 259 and name HN )) (( segid " A" and resid 257 and name HB1 )) ASSI { 751} (( segid " A" and resid 221 and name HN )) (( segid " A" and resid 224 and name HB2 )) 2.800 1.000 1.000 peak 751 spectrum 1 weight 0.10000E+01 volume 0.37731E-02 ppm1 9.492 ppm2 2.707 CV 1 ASSI { 752} (( segid " A" and resid 171 and name HN )) (( segid " A" and resid 171 and name HG2 )) 3.200 1.300 1.300 peak 752 spectrum 1 weight 0.10000E+01 volume 0.65393E-02 ppm1 7.621 ppm2 2.683 CV 1 ASSI { 753} (( segid " A" and resid 223 and name HN )) (( segid " A" and resid 223 and name HB1 )) 3.700 1.700 1.700 peak 753 spectrum 1 weight 0.10000E+01 volume 0.18701E-02 ppm1 8.331 ppm2 2.654 CV 1 ASSI { 754} (( segid " A" and resid 171 and name HN )) (( segid " A" and resid 169 and name HA )) 3.500 1.500 1.500 peak 754 spectrum 1 weight 0.10000E+01 volume 0.19665E-02 ppm1 7.620 ppm2 2.404 CV 1 ASSI { 755} (( segid " A" and resid 259 and name HN )) (( segid " A" and resid 258 and name HB1 )) 3.500 1.500 1.500 peak 755 spectrum 1 weight 0.10000E+01 volume 0.45914E-02 ppm1 8.773 ppm2 2.241 CV 1 ASSI { 756} (( segid " A" and resid 171 and name HN )) (( segid " A" and resid 171 and name HB1 )) 3.300 1.400 1.400 peak 756 spectrum 1 weight 0.10000E+01 volume 0.85202E-02 ppm1 7.620 ppm2 2.222 CV 1 ASSI { 757} (( segid " A" and resid 171 and name HN )) (( segid " A" and resid 171 and name HB2 )) 2.300 0.700 0.700 peak 757 spectrum 1 weight 0.10000E+01 volume 0.57894E-02 ppm1 7.618 ppm2 2.082 CV 1 ASSI { 758} (( segid " A" and resid 221 and name HN )) (( segid " A" and resid 220 and name HB1 )) 3.600 1.600 1.600 peak 758 spectrum 1 weight 0.10000E+01 volume 0.26412E-02 ppm1 9.492 ppm2 2.019 CV 1 ASSI { 760} (( segid " A" and resid 171 and name HN )) (( segid " A" and resid 170 and name HB2 )) 3.500 1.500 1.500 peak 760 spectrum 1 weight 0.10000E+01 volume 0.44853E-02 ppm1 7.618 ppm2 1.811 CV 1 ASSI { 761} (( segid " A" and resid 259 and name HN )) (( segid " A" and resid 259 and name HD2 )) 4.000 2.000 2.000 peak 761 spectrum 1 weight 0.10000E+01 volume 0.25610E-02 ppm1 8.775 ppm2 1.785 CV 1 OR { 761} (( segid " A" and resid 259 and name HN )) (( segid " A" and resid 259 and name HD1 )) ASSI { 762} (( segid " A" and resid 259 and name HN )) (( segid " A" and resid 259 and name HG1 )) 2.900 1.000 1.000 peak 762 spectrum 1 weight 0.10000E+01 volume 0.29714E-02 ppm1 8.775 ppm2 1.598 CV 1 ASSI { 763} (( segid " A" and resid 171 and name HN )) (( segid " A" and resid 170 and name HB1 )) 2.600 0.800 0.800 peak 763 spectrum 1 weight 0.10000E+01 volume 0.44641E-02 ppm1 7.621 ppm2 1.595 CV 1 ASSI { 764} (( segid " A" and resid 259 and name HN )) (( segid " A" and resid 259 and name HG2 )) 3.700 1.800 1.800 peak 764 spectrum 1 weight 0.10000E+01 volume 0.27851E-02 ppm1 8.773 ppm2 1.501 CV 1 ASSI { 765} (( segid " A" and resid 221 and name HN )) (( segid " A" and resid 220 and name HB2 )) 3.800 1.800 1.800 peak 765 spectrum 1 weight 0.10000E+01 volume 0.39288E-02 ppm1 9.493 ppm2 1.309 CV 1 ASSI { 766} (( segid " A" and resid 221 and name HN )) ( segid " A" and resid 220 and name HD2%) 4.500 2.500 1.500 peak 766 spectrum 1 weight 0.10000E+01 volume 0.17576E-02 ppm1 9.495 ppm2 0.959 CV 1 ASSI { 767} (( segid " A" and resid 171 and name HN )) ( segid " A" and resid 168 and name HD1%) 4.300 2.300 1.700 peak 767 spectrum 1 weight 0.10000E+01 volume 0.16557E-02 ppm1 7.620 ppm2 0.947 CV 1 OR { 767} (( segid " A" and resid 171 and name HN )) ( segid " A" and resid 114 and name HG2%) ASSI { 768} (( segid " A" and resid 221 and name HN )) ( segid " A" and resid 220 and name HD1%) 3.800 1.800 1.800 peak 768 spectrum 1 weight 0.10000E+01 volume 0.42872E-02 ppm1 9.493 ppm2 0.823 CV 1 ASSI { 769} (( segid " A" and resid 171 and name HN )) ( segid " A" and resid 170 and name HD2%) 3.900 1.900 1.900 peak 769 spectrum 1 weight 0.10000E+01 volume 0.16666E-02 ppm1 7.619 ppm2 0.821 CV 1 OR { 769} (( segid " A" and resid 171 and name HN )) ( segid " A" and resid 170 and name HD1%) ASSI { 770} (( segid " A" and resid 221 and name HN )) (( segid " A" and resid 224 and name HN )) 3.500 1.600 1.600 peak 770 spectrum 1 weight 0.10000E+01 volume 0.19024E-02 ppm1 9.492 ppm2 7.634 CV 1 ASSI { 771} (( segid " A" and resid 221 and name HN )) (( segid " A" and resid 221 and name HB1 )) 3.100 1.200 1.200 peak 771 spectrum 1 weight 0.10000E+01 volume 0.35090E-02 ppm1 9.495 ppm2 4.009 CV 1 ASSI { 772} (( segid " A" and resid 221 and name HN )) (( segid " A" and resid 224 and name HB1 )) 3.400 1.400 1.400 peak 772 spectrum 1 weight 0.10000E+01 volume 0.44523E-02 ppm1 9.493 ppm2 3.004 CV 1 ASSI { 773} (( segid " A" and resid 157 and name HN )) (( segid " A" and resid 142 and name HN )) 2.900 1.100 1.100 peak 773 spectrum 1 weight 0.10000E+01 volume 0.24620E-02 ppm1 8.477 ppm2 8.933 CV 1 ASSI { 774} (( segid " A" and resid 157 and name HN )) ( segid " A" and resid 157 and name HD% ) 3.300 1.400 1.400 peak 774 spectrum 1 weight 0.10000E+01 volume 0.19505E-02 ppm1 8.476 ppm2 7.212 CV 1 ASSI { 776} (( segid " A" and resid 157 and name HN )) (( segid " A" and resid 157 and name HA )) 3.200 1.300 1.300 peak 776 spectrum 1 weight 0.10000E+01 volume 0.16852E-02 ppm1 8.476 ppm2 5.485 CV 1 ASSI { 777} (( segid " A" and resid 173 and name HN )) (( segid " A" and resid 173 and name HA )) 3.000 1.100 1.100 peak 777 spectrum 1 weight 0.10000E+01 volume 0.35845E-02 ppm1 8.112 ppm2 5.057 CV 1 ASSI { 778} (( segid " A" and resid 157 and name HN )) (( segid " A" and resid 156 and name HA )) 2.500 0.800 0.800 peak 778 spectrum 1 weight 0.10000E+01 volume 0.83056E-02 ppm1 8.479 ppm2 4.796 CV 1 ASSI { 779} (( segid " A" and resid 173 and name HN )) (( segid " A" and resid 172 and name HA )) 3.400 1.500 1.500 peak 779 spectrum 1 weight 0.10000E+01 volume 0.24620E-02 ppm1 8.112 ppm2 4.488 CV 1 ASSI { 780} (( segid " A" and resid 167 and name HN )) (( segid " A" and resid 167 and name HA )) 2.700 0.900 0.900 peak 780 spectrum 1 weight 0.10000E+01 volume 0.57965E-02 ppm1 7.394 ppm2 3.733 CV 1 ASSI { 781} (( segid " A" and resid 167 and name HN )) (( segid " A" and resid 164 and name HA )) 3.100 1.200 1.200 peak 781 spectrum 1 weight 0.10000E+01 volume 0.25115E-02 ppm1 7.394 ppm2 3.334 CV 1 ASSI { 782} (( segid " A" and resid 157 and name HN )) (( segid " A" and resid 157 and name HB1 )) 3.900 1.900 1.900 peak 782 spectrum 1 weight 0.10000E+01 volume 0.25988E-02 ppm1 8.479 ppm2 2.951 CV 1 ASSI { 783} (( segid " A" and resid 157 and name HN )) (( segid " A" and resid 157 and name HB2 )) 3.000 1.100 1.100 peak 783 spectrum 1 weight 0.10000E+01 volume 0.23842E-02 ppm1 8.478 ppm2 2.752 CV 1 ASSI { 784} (( segid " A" and resid 173 and name HN )) (( segid " A" and resid 172 and name HB1 )) 3.700 1.700 1.700 peak 784 spectrum 1 weight 0.10000E+01 volume 0.32355E-02 ppm1 8.110 ppm2 2.407 CV 1 ASSI { 785} (( segid " A" and resid 167 and name HN )) (( segid " A" and resid 167 and name HG2 )) 2.700 0.900 0.900 peak 785 spectrum 1 weight 0.10000E+01 volume 0.27921E-02 ppm1 7.395 ppm2 2.367 CV 1 ASSI { 786} (( segid " A" and resid 167 and name HN )) (( segid " A" and resid 167 and name HG1 )) 3.800 1.800 1.800 peak 786 spectrum 1 weight 0.10000E+01 volume 0.22212E-02 ppm1 7.398 ppm2 2.195 CV 1 ASSI { 787} (( segid " A" and resid 173 and name HN )) (( segid " A" and resid 173 and name HB2 )) 2.600 0.900 0.900 peak 787 spectrum 1 weight 0.10000E+01 volume 0.46763E-02 ppm1 8.112 ppm2 2.163 CV 1 ASSI { 788} (( segid " A" and resid 167 and name HN )) (( segid " A" and resid 167 and name HB2 )) 2.600 0.800 0.800 peak 788 spectrum 1 weight 0.10000E+01 volume 0.75133E-02 ppm1 7.393 ppm2 2.001 CV 1 OR { 788} (( segid " A" and resid 167 and name HN )) (( segid " A" and resid 167 and name HB1 )) ASSI { 789} (( segid " A" and resid 173 and name HN )) (( segid " A" and resid 173 and name HB1 )) 2.900 1.000 1.000 peak 789 spectrum 1 weight 0.10000E+01 volume 0.64426E-02 ppm1 8.111 ppm2 1.955 CV 1 ASSI { 790} (( segid " A" and resid 173 and name HN )) (( segid " A" and resid 170 and name HB2 )) 3.700 3.700 2.300 peak 790 spectrum 1 weight 0.10000E+01 volume 0.30963E-02 ppm1 8.112 ppm2 1.816 CV 1 ASSI { 791} (( segid " A" and resid 167 and name HN )) ( segid " A" and resid 166 and name HB% ) 2.600 0.800 0.800 peak 791 spectrum 1 weight 0.10000E+01 volume 0.61620E-02 ppm1 7.395 ppm2 1.491 CV 1 ASSI { 792} (( segid " A" and resid 173 and name HN )) ( segid " A" and resid 185 and name HG1%) 3.500 1.500 1.500 peak 792 spectrum 1 weight 0.10000E+01 volume 0.30303E-02 ppm1 8.113 ppm2 1.027 CV 1 OR { 792} (( segid " A" and resid 173 and name HN )) ( segid " A" and resid 185 and name HG2%) ASSI { 793} (( segid " A" and resid 157 and name HN )) ( segid " A" and resid 156 and name HB% ) 2.600 0.800 0.800 peak 793 spectrum 1 weight 0.10000E+01 volume 0.58437E-02 ppm1 8.475 ppm2 0.866 CV 1 ASSI { 794} (( segid " A" and resid 167 and name HN )) ( segid " A" and resid 286 and name HG1%) 4.400 2.400 1.600 peak 794 spectrum 1 weight 0.10000E+01 volume 0.22372E-02 ppm1 7.396 ppm2 0.814 CV 1 ASSI { 796} (( segid " A" and resid 195 and name HE21)) (( segid " A" and resid 195 and name HE22)) 2.000 0.500 0.500 peak 796 spectrum 1 weight 0.10000E+01 volume 0.13065E-01 ppm1 6.582 ppm2 7.925 CV 1 ASSI { 798} (( segid " A" and resid 270 and name HN )) (( segid " A" and resid 271 and name HN )) 2.300 0.700 0.700 peak 798 spectrum 1 weight 0.10000E+01 volume 0.93362E-02 ppm1 7.869 ppm2 7.513 CV 1 ASSI { 800} (( segid " A" and resid 270 and name HN )) (( segid " A" and resid 270 and name HA )) 2.700 0.900 0.900 peak 800 spectrum 1 weight 0.10000E+01 volume 0.40349E-02 ppm1 7.868 ppm2 4.903 CV 1 ASSI { 801} (( segid " A" and resid 270 and name HN )) (( segid " A" and resid 269 and name HA )) 3.300 1.400 1.400 peak 801 spectrum 1 weight 0.10000E+01 volume 0.28912E-02 ppm1 7.869 ppm2 4.611 CV 1 ASSI { 802} (( segid " A" and resid 130 and name HN )) (( segid " A" and resid 130 and name HA )) 2.500 0.800 0.800 peak 802 spectrum 1 weight 0.10000E+01 volume 0.10716E-01 ppm1 7.959 ppm2 4.051 CV 1 ASSI { 803} (( segid " A" and resid 270 and name HN )) (( segid " A" and resid 269 and name HB1 )) 3.600 1.600 1.600 peak 803 spectrum 1 weight 0.10000E+01 volume 0.20953E-02 ppm1 7.867 ppm2 3.776 CV 1 ASSI { 804} (( segid " A" and resid 130 and name HN )) (( segid " A" and resid 129 and name HA )) 3.100 1.200 1.200 peak 804 spectrum 1 weight 0.10000E+01 volume 0.23283E-02 ppm1 7.959 ppm2 3.694 CV 1 ASSI { 805} (( segid " A" and resid 270 and name HN )) (( segid " A" and resid 269 and name HB2 )) 2.800 1.000 1.000 peak 805 spectrum 1 weight 0.10000E+01 volume 0.30232E-02 ppm1 7.872 ppm2 3.503 CV 1 ASSI { 806} (( segid " A" and resid 130 and name HN )) (( segid " A" and resid 130 and name HG2 )) 3.600 1.700 1.700 peak 806 spectrum 1 weight 0.10000E+01 volume 0.41151E-02 ppm1 7.959 ppm2 2.569 CV 1 ASSI { 807} (( segid " A" and resid 195 and name HE22)) (( segid " A" and resid 195 and name HG2 )) 3.500 1.500 1.500 peak 807 spectrum 1 weight 0.10000E+01 volume 0.61762E-02 ppm1 7.931 ppm2 2.407 CV 1 OR { 807} (( segid " A" and resid 195 and name HE22)) (( segid " A" and resid 195 and name HG1 )) ASSI { 808} (( segid " A" and resid 195 and name HE21)) (( segid " A" and resid 195 and name HG2 )) 2.900 1.100 1.100 peak 808 spectrum 1 weight 0.10000E+01 volume 0.35468E-02 ppm1 6.582 ppm2 2.403 CV 1 OR { 808} (( segid " A" and resid 195 and name HE21)) (( segid " A" and resid 195 and name HG1 )) ASSI { 809} (( segid " A" and resid 270 and name HN )) (( segid " A" and resid 266 and name HA )) 3.400 1.500 1.500 peak 809 spectrum 1 weight 0.10000E+01 volume 0.18271E-02 ppm1 7.876 ppm2 2.364 CV 1 ASSI { 810} (( segid " A" and resid 130 and name HN )) (( segid " A" and resid 130 and name HB2 )) 2.200 0.600 0.600 peak 810 spectrum 1 weight 0.10000E+01 volume 0.17748E-01 ppm1 7.959 ppm2 2.198 CV 1 OR { 810} (( segid " A" and resid 130 and name HN )) (( segid " A" and resid 130 and name HB1 )) ASSI { 811} (( segid " A" and resid 270 and name HN )) (( segid " A" and resid 270 and name HB2 )) 2.600 0.800 0.800 peak 811 spectrum 1 weight 0.10000E+01 volume 0.49475E-02 ppm1 7.869 ppm2 2.001 CV 1 ASSI { 812} (( segid " A" and resid 130 and name HN )) (( segid " A" and resid 129 and name HB2 )) 3.300 1.400 1.400 peak 812 spectrum 1 weight 0.10000E+01 volume 0.58578E-02 ppm1 7.959 ppm2 1.956 CV 1 ASSI { 813} (( segid " A" and resid 270 and name HN )) (( segid " A" and resid 270 and name HB1 )) 3.200 1.300 1.300 peak 813 spectrum 1 weight 0.10000E+01 volume 0.72232E-02 ppm1 7.869 ppm2 1.877 CV 1 ASSI { 814} (( segid " A" and resid 270 and name HN )) (( segid " A" and resid 270 and name HG1 )) 4.000 2.000 2.000 peak 814 spectrum 1 weight 0.10000E+01 volume 0.29030E-02 ppm1 7.869 ppm2 1.660 CV 1 ASSI { 815} (( segid " A" and resid 130 and name HN )) (( segid " A" and resid 129 and name HG2 )) 3.500 1.500 1.500 peak 815 spectrum 1 weight 0.10000E+01 volume 0.24219E-02 ppm1 7.960 ppm2 1.581 CV 1 OR { 815} (( segid " A" and resid 130 and name HN )) (( segid " A" and resid 129 and name HG1 )) ASSI { 816} (( segid " A" and resid 270 and name HN )) ( segid " A" and resid 282 and name HG1%) 3.700 1.700 1.700 peak 816 spectrum 1 weight 0.10000E+01 volume 0.22802E-02 ppm1 7.869 ppm2 1.043 CV 1 OR { 816} (( segid " A" and resid 270 and name HN )) ( segid " A" and resid 282 and name HG2%) ASSI { 817} (( segid " A" and resid 195 and name HE22)) ( segid " A" and resid 198 and name HG2%) 3.500 1.600 1.600 peak 817 spectrum 1 weight 0.10000E+01 volume 0.24290E-02 ppm1 7.928 ppm2 0.954 CV 1 ASSI { 818} (( segid " A" and resid 195 and name HE21)) ( segid " A" and resid 198 and name HG2%) 3.700 1.700 1.700 peak 818 spectrum 1 weight 0.10000E+01 volume 0.27214E-02 ppm1 6.582 ppm2 0.955 CV 1 ASSI { 819} (( segid " A" and resid 130 and name HN )) ( segid " A" and resid 138 and name HD1%) 4.200 2.200 1.800 peak 819 spectrum 1 weight 0.10000E+01 volume 0.16717E-02 ppm1 7.960 ppm2 0.761 CV 1 OR { 819} (( segid " A" and resid 130 and name HN )) ( segid " A" and resid 141 and name HD1%) ASSI { 820} (( segid " A" and resid 208 and name HN )) ( segid " A" and resid 208 and name HD% ) 2.800 1.000 1.000 peak 820 spectrum 1 weight 0.10000E+01 volume 0.76524E-02 ppm1 7.728 ppm2 7.407 CV 1 ASSI { 822} (( segid " A" and resid 286 and name HN )) (( segid " A" and resid 285 and name HA )) 2.600 0.800 0.800 peak 822 spectrum 1 weight 0.10000E+01 volume 0.37826E-02 ppm1 9.852 ppm2 4.768 CV 1 ASSI { 823} (( segid " A" and resid 208 and name HN )) (( segid " A" and resid 206 and name HA )) 3.300 1.400 1.400 peak 823 spectrum 1 weight 0.10000E+01 volume 0.23983E-02 ppm1 7.727 ppm2 4.211 CV 1 ASSI { 824} (( segid " A" and resid 208 and name HN )) (( segid " A" and resid 208 and name HB1 )) 3.800 1.800 1.800 peak 824 spectrum 1 weight 0.10000E+01 volume 0.39547E-02 ppm1 7.729 ppm2 3.042 CV 1 ASSI { 825} (( segid " A" and resid 161 and name HN )) (( segid " A" and resid 160 and name HB2 )) 3.900 1.900 1.900 peak 825 spectrum 1 weight 0.10000E+01 volume 0.21622E-02 ppm1 8.718 ppm2 2.786 CV 1 ASSI { 826} (( segid " A" and resid 286 and name HN )) ( segid " A" and resid 285 and name HB% ) 3.800 1.800 1.800 peak 826 spectrum 1 weight 0.10000E+01 volume 0.27355E-02 ppm1 9.849 ppm2 1.549 CV 1 ASSI { 827} (( segid " A" and resid 208 and name HN )) ( segid " A" and resid 207 and name HB% ) 3.000 1.200 1.200 peak 827 spectrum 1 weight 0.10000E+01 volume 0.52659E-02 ppm1 7.728 ppm2 1.180 CV 1 ASSI { 828} (( segid " A" and resid 286 and name HN )) ( segid " A" and resid 286 and name HG1%) 3.000 1.100 1.100 peak 828 spectrum 1 weight 0.10000E+01 volume 0.24620E-02 ppm1 9.848 ppm2 0.807 CV 1 ASSI { 829} (( segid " A" and resid 286 and name HN )) ( segid " A" and resid 286 and name HG2%) 2.600 0.800 0.800 peak 829 spectrum 1 weight 0.10000E+01 volume 0.42236E-02 ppm1 9.856 ppm2 0.581 CV 1 ASSI { 831} (( segid " A" and resid 161 and name HN )) (( segid " A" and resid 162 and name HN )) 2.500 0.800 0.800 peak 831 spectrum 1 weight 0.10000E+01 volume 0.51150E-02 ppm1 8.721 ppm2 6.845 CV 1 ASSI { 832} (( segid " A" and resid 161 and name HN )) (( segid " A" and resid 160 and name HA )) 2.400 0.700 0.700 peak 832 spectrum 1 weight 0.10000E+01 volume 0.63648E-02 ppm1 8.719 ppm2 5.130 CV 1 ASSI { 833} (( segid " A" and resid 276 and name HN )) (( segid " A" and resid 275 and name HA )) 2.900 1.000 1.000 peak 833 spectrum 1 weight 0.10000E+01 volume 0.27402E-02 ppm1 8.870 ppm2 4.706 CV 1 ASSI { 834} (( segid " A" and resid 286 and name HN )) (( segid " A" and resid 286 and name HA )) 3.300 1.400 1.400 peak 834 spectrum 1 weight 0.10000E+01 volume 0.16986E-02 ppm1 9.850 ppm2 4.549 CV 1 ASSI { 835} (( segid " A" and resid 172 and name HN )) (( segid " A" and resid 172 and name HA )) 3.000 1.100 1.100 peak 835 spectrum 1 weight 0.10000E+01 volume 0.35892E-02 ppm1 8.179 ppm2 4.486 CV 1 ASSI { 836} (( segid " A" and resid 208 and name HN )) (( segid " A" and resid 208 and name HA )) 2.900 1.100 1.100 peak 836 spectrum 1 weight 0.10000E+01 volume 0.46976E-02 ppm1 7.726 ppm2 4.502 CV 1 ASSI { 837} (( segid " A" and resid 161 and name HN )) (( segid " A" and resid 161 and name HA )) 2.900 1.000 1.000 peak 837 spectrum 1 weight 0.10000E+01 volume 0.38840E-02 ppm1 8.722 ppm2 4.229 CV 1 ASSI { 838} (( segid " A" and resid 208 and name HN )) (( segid " A" and resid 207 and name HA )) 3.300 1.400 1.400 peak 838 spectrum 1 weight 0.10000E+01 volume 0.31907E-02 ppm1 7.728 ppm2 4.140 CV 1 ASSI { 839} (( segid " A" and resid 172 and name HN )) (( segid " A" and resid 171 and name HA )) 3.300 1.300 1.300 peak 839 spectrum 1 weight 0.10000E+01 volume 0.28582E-02 ppm1 8.177 ppm2 4.059 CV 1 ASSI { 840} (( segid " A" and resid 161 and name HN )) (( segid " A" and resid 138 and name HA )) 3.700 1.700 1.700 peak 840 spectrum 1 weight 0.10000E+01 volume 0.20684E-02 ppm1 8.719 ppm2 3.785 CV 1 ASSI { 841} (( segid " A" and resid 276 and name HN )) (( segid " A" and resid 276 and name HA2 )) 3.400 1.500 1.500 peak 841 spectrum 1 weight 0.10000E+01 volume 0.16557E-02 ppm1 8.874 ppm2 3.668 CV 1 OR { 841} (( segid " A" and resid 276 and name HN )) (( segid " A" and resid 276 and name HA1 )) ASSI { 842} (( segid " A" and resid 161 and name HN )) (( segid " A" and resid 160 and name HB1 )) 2.600 0.900 0.900 peak 842 spectrum 1 weight 0.10000E+01 volume 0.32708E-02 ppm1 8.720 ppm2 3.150 CV 1 ASSI { 843} (( segid " A" and resid 208 and name HN )) (( segid " A" and resid 208 and name HB2 )) 2.700 0.900 0.900 peak 843 spectrum 1 weight 0.10000E+01 volume 0.44523E-02 ppm1 7.725 ppm2 2.952 CV 1 ASSI { 844} (( segid " A" and resid 172 and name HN )) (( segid " A" and resid 172 and name HG2 )) 3.600 1.600 1.600 peak 844 spectrum 1 weight 0.10000E+01 volume 0.38156E-02 ppm1 8.178 ppm2 2.794 CV 1 ASSI { 845} (( segid " A" and resid 172 and name HN )) (( segid " A" and resid 172 and name HB1 )) 2.800 1.000 1.000 peak 845 spectrum 1 weight 0.10000E+01 volume 0.65936E-02 ppm1 8.179 ppm2 2.410 CV 1 OR { 845} (( segid " A" and resid 172 and name HN )) (( segid " A" and resid 172 and name HG1 )) ASSI { 846} (( segid " A" and resid 286 and name HN )) (( segid " A" and resid 286 and name HB )) 3.700 1.700 1.700 peak 846 spectrum 1 weight 0.10000E+01 volume 0.28865E-02 ppm1 9.855 ppm2 2.396 CV 1 ASSI { 847} (( segid " A" and resid 161 and name HN )) (( segid " A" and resid 161 and name HB2 )) 2.400 0.700 0.700 peak 847 spectrum 1 weight 0.10000E+01 volume 0.63884E-02 ppm1 8.721 ppm2 2.259 CV 1 ASSI { 848} (( segid " A" and resid 172 and name HN )) (( segid " A" and resid 171 and name HB1 )) 3.000 1.100 1.100 peak 848 spectrum 1 weight 0.10000E+01 volume 0.33015E-02 ppm1 8.179 ppm2 2.202 CV 1 ASSI { 849} (( segid " A" and resid 172 and name HN )) (( segid " A" and resid 171 and name HB2 )) 3.000 1.100 1.100 peak 849 spectrum 1 weight 0.10000E+01 volume 0.25469E-02 ppm1 8.181 ppm2 2.087 CV 1 ASSI { 850} (( segid " A" and resid 161 and name HN )) (( segid " A" and resid 161 and name HB1 )) 3.700 1.700 1.700 peak 850 spectrum 1 weight 0.10000E+01 volume 0.39429E-02 ppm1 8.719 ppm2 2.000 CV 1 ASSI { 851} (( segid " A" and resid 172 and name HN )) (( segid " A" and resid 172 and name HB2 )) 2.600 0.900 0.900 peak 851 spectrum 1 weight 0.10000E+01 volume 0.39972E-02 ppm1 8.179 ppm2 1.775 CV 1 ASSI { 854} (( segid " A" and resid 112 and name HN )) (( segid " A" and resid 112 and name HA )) 2.600 0.800 0.800 peak 854 spectrum 1 weight 0.10000E+01 volume 0.66124E-02 ppm1 7.257 ppm2 4.167 CV 1 ASSI { 855} (( segid " A" and resid 112 and name HN )) (( segid " A" and resid 111 and name HA )) 3.500 1.500 1.500 peak 855 spectrum 1 weight 0.10000E+01 volume 0.21328E-02 ppm1 7.260 ppm2 3.926 CV 1 ASSI { 856} (( segid " A" and resid 112 and name HN )) (( segid " A" and resid 112 and name HB1 )) 3.500 1.500 1.500 peak 856 spectrum 1 weight 0.10000E+01 volume 0.43344E-02 ppm1 7.256 ppm2 3.603 CV 1 ASSI { 857} (( segid " A" and resid 112 and name HN )) (( segid " A" and resid 112 and name HB2 )) 2.500 0.800 0.800 peak 857 spectrum 1 weight 0.10000E+01 volume 0.78458E-02 ppm1 7.258 ppm2 3.100 CV 1 ASSI { 858} (( segid " A" and resid 112 and name HN )) (( segid " A" and resid 111 and name HB2 )) 3.000 1.100 1.100 peak 858 spectrum 1 weight 0.10000E+01 volume 0.27237E-02 ppm1 7.256 ppm2 2.307 CV 1 OR { 858} (( segid " A" and resid 112 and name HN )) (( segid " A" and resid 111 and name HB1 )) ASSI { 859} (( segid " A" and resid 112 and name HN )) (( segid " A" and resid 113 and name HB2 )) 4.000 2.000 2.000 peak 859 spectrum 1 weight 0.10000E+01 volume 0.21729E-02 ppm1 7.256 ppm2 1.755 CV 1 OR { 859} (( segid " A" and resid 112 and name HN )) (( segid " A" and resid 113 and name HG2 )) ASSI { 860} (( segid " A" and resid 112 and name HN )) ( segid " A" and resid 166 and name HB% ) 3.600 1.600 1.600 peak 860 spectrum 1 weight 0.10000E+01 volume 0.19050E-02 ppm1 7.256 ppm2 1.478 CV 1 ASSI { 862} (( segid " A" and resid 263 and name HN )) (( segid " A" and resid 260 and name HA )) 3.300 1.400 1.400 peak 862 spectrum 1 weight 0.10000E+01 volume 0.27402E-02 ppm1 6.954 ppm2 3.939 CV 1 OR { 862} (( segid " A" and resid 263 and name HN )) (( segid " A" and resid 264 and name HA )) ASSI { 863} (( segid " A" and resid 263 and name HN )) (( segid " A" and resid 263 and name HB1 )) 2.600 0.800 0.800 peak 863 spectrum 1 weight 0.10000E+01 volume 0.43085E-02 ppm1 6.953 ppm2 3.853 CV 1 ASSI { 864} (( segid " A" and resid 263 and name HN )) (( segid " A" and resid 263 and name HA )) 2.500 0.800 0.800 peak 864 spectrum 1 weight 0.10000E+01 volume 0.83811E-02 ppm1 6.953 ppm2 3.757 CV 1 ASSI { 865} (( segid " A" and resid 263 and name HN )) (( segid " A" and resid 257 and name HB2 )) 2.900 1.000 1.000 peak 865 spectrum 1 weight 0.10000E+01 volume 0.20549E-02 ppm1 6.952 ppm2 3.592 CV 1 ASSI { 866} (( segid " A" and resid 263 and name HN )) (( segid " A" and resid 262 and name HB1 )) 3.300 1.400 1.400 peak 866 spectrum 1 weight 0.10000E+01 volume 0.28110E-02 ppm1 6.957 ppm2 3.506 CV 1 ASSI { 867} (( segid " A" and resid 263 and name HN )) (( segid " A" and resid 262 and name HB2 )) 2.700 0.900 0.900 peak 867 spectrum 1 weight 0.10000E+01 volume 0.33109E-02 ppm1 6.951 ppm2 2.795 CV 1 ASSI { 869} (( segid " A" and resid 271 and name HD21)) (( segid " A" and resid 271 and name HD22)) 2.100 0.500 0.500 peak 869 spectrum 1 weight 0.10000E+01 volume 0.10654E-01 ppm1 7.862 ppm2 6.450 CV 1 ASSI { 870} (( segid " A" and resid 271 and name HD22)) (( segid " A" and resid 271 and name HB2 )) 4.100 2.100 1.900 peak 870 spectrum 1 weight 0.10000E+01 volume 0.19479E-02 ppm1 6.452 ppm2 2.992 CV 1 ASSI { 871} (( segid " A" and resid 271 and name HD22)) (( segid " A" and resid 271 and name HB1 )) 4.100 2.100 1.900 peak 871 spectrum 1 weight 0.10000E+01 volume 0.21568E-02 ppm1 6.452 ppm2 2.879 CV 1 ASSI { 873} (( segid " A" and resid 254 and name HN )) ( segid " A" and resid 254 and name HD% ) 2.900 1.000 1.000 peak 873 spectrum 1 weight 0.10000E+01 volume 0.42118E-02 ppm1 7.832 ppm2 7.293 CV 1 ASSI { 874} (( segid " A" and resid 254 and name HN )) (( segid " A" and resid 254 and name HA )) 2.900 1.000 1.000 peak 874 spectrum 1 weight 0.10000E+01 volume 0.37307E-02 ppm1 7.836 ppm2 5.782 CV 1 ASSI { 875} (( segid " A" and resid 254 and name HN )) (( segid " A" and resid 240 and name HA )) 3.100 1.200 1.200 peak 875 spectrum 1 weight 0.10000E+01 volume 0.37661E-02 ppm1 7.833 ppm2 4.589 CV 1 ASSI { 876} (( segid " A" and resid 254 and name HN )) (( segid " A" and resid 253 and name HA2 )) 2.300 0.700 0.700 peak 876 spectrum 1 weight 0.10000E+01 volume 0.12550E-01 ppm1 7.833 ppm2 4.081 CV 1 ASSI { 877} (( segid " A" and resid 271 and name HD21)) (( segid " A" and resid 271 and name HB2 )) 3.200 1.200 1.200 peak 877 spectrum 1 weight 0.10000E+01 volume 0.28912E-02 ppm1 7.862 ppm2 2.979 CV 1 ASSI { 878} (( segid " A" and resid 271 and name HD21)) (( segid " A" and resid 271 and name HB1 )) 2.700 0.900 0.900 peak 878 spectrum 1 weight 0.10000E+01 volume 0.45490E-02 ppm1 7.863 ppm2 2.872 CV 1 ASSI { 879} (( segid " A" and resid 254 and name HN )) (( segid " A" and resid 254 and name HB2 )) 2.700 0.900 0.900 peak 879 spectrum 1 weight 0.10000E+01 volume 0.63813E-02 ppm1 7.834 ppm2 2.775 CV 1 OR { 879} (( segid " A" and resid 254 and name HN )) (( segid " A" and resid 254 and name HB1 )) ASSI { 880} (( segid " A" and resid 271 and name HD21)) (( segid " A" and resid 272 and name HG )) 3.900 1.900 1.900 peak 880 spectrum 1 weight 0.10000E+01 volume 0.19210E-02 ppm1 7.859 ppm2 1.528 CV 1 OR { 880} (( segid " A" and resid 271 and name HD21)) (( segid " A" and resid 272 and name HB1 )) ASSI { 881} (( segid " A" and resid 254 and name HN )) ( segid " A" and resid 240 and name HD2%) 3.600 1.600 1.600 peak 881 spectrum 1 weight 0.10000E+01 volume 0.25870E-02 ppm1 7.832 ppm2 0.130 CV 1 ASSI { 882} (( segid " A" and resid 252 and name HN )) (( segid " A" and resid 251 and name HN )) 2.200 0.600 0.600 peak 882 spectrum 1 weight 0.10000E+01 volume 0.62587E-02 ppm1 7.165 ppm2 11.239 CV 1 ASSI { 885} (( segid " A" and resid 252 and name HN )) ( segid " A" and resid 252 and name HD% ) 2.500 0.800 0.800 peak 885 spectrum 1 weight 0.10000E+01 volume 0.75675E-02 ppm1 7.165 ppm2 6.829 CV 1 OR { 885} (( segid " A" and resid 252 and name HN )) ( segid " A" and resid 252 and name HE% ) ASSI { 886} (( segid " A" and resid 252 and name HN )) (( segid " A" and resid 252 and name HA )) 2.600 0.800 0.800 peak 886 spectrum 1 weight 0.10000E+01 volume 0.47353E-02 ppm1 7.165 ppm2 5.641 CV 1 ASSI { 887} (( segid " A" and resid 252 and name HN )) (( segid " A" and resid 214 and name HA )) 4.100 2.100 1.900 peak 887 spectrum 1 weight 0.10000E+01 volume 0.16531E-02 ppm1 7.167 ppm2 5.120 CV 1 ASSI { 888} (( segid " A" and resid 269 and name HN )) (( segid " A" and resid 269 and name HA )) 2.700 0.900 0.900 peak 888 spectrum 1 weight 0.10000E+01 volume 0.75557E-02 ppm1 7.516 ppm2 4.609 CV 1 ASSI { 889} (( segid " A" and resid 245 and name HN )) (( segid " A" and resid 246 and name HA )) 3.900 1.900 1.900 peak 889 spectrum 1 weight 0.10000E+01 volume 0.18111E-02 ppm1 8.461 ppm2 4.444 CV 1 ASSI { 890} (( segid " A" and resid 252 and name HN )) (( segid " A" and resid 250 and name HA )) 2.800 2.800 3.200 peak 890 spectrum 1 weight 0.10000E+01 volume 0.19210E-02 ppm1 7.166 ppm2 4.437 CV 1 ASSI { 891} (( segid " A" and resid 245 and name HN )) (( segid " A" and resid 245 and name HB )) 3.700 1.700 1.700 peak 891 spectrum 1 weight 0.10000E+01 volume 0.21969E-02 ppm1 8.456 ppm2 4.290 CV 1 ASSI { 892} (( segid " A" and resid 252 and name HN )) (( segid " A" and resid 251 and name HA1 )) 3.100 1.200 1.200 peak 892 spectrum 1 weight 0.10000E+01 volume 0.35798E-02 ppm1 7.164 ppm2 4.315 CV 1 ASSI { 893} (( segid " A" and resid 269 and name HN )) (( segid " A" and resid 268 and name HA )) 3.300 1.400 1.400 peak 893 spectrum 1 weight 0.10000E+01 volume 0.30492E-02 ppm1 7.516 ppm2 4.231 CV 1 ASSI { 894} (( segid " A" and resid 252 and name HN )) (( segid " A" and resid 251 and name HA2 )) 3.300 1.400 1.400 peak 894 spectrum 1 weight 0.10000E+01 volume 0.34501E-02 ppm1 7.166 ppm2 4.200 CV 1 ASSI { 895} (( segid " A" and resid 269 and name HN )) (( segid " A" and resid 268 and name HB1 )) 2.900 1.100 1.100 peak 895 spectrum 1 weight 0.10000E+01 volume 0.53885E-02 ppm1 7.516 ppm2 3.968 CV 1 OR { 895} (( segid " A" and resid 269 and name HN )) (( segid " A" and resid 268 and name HB2 )) ASSI { 896} (( segid " A" and resid 269 and name HN )) (( segid " A" and resid 269 and name HB1 )) 3.400 1.500 1.500 peak 896 spectrum 1 weight 0.10000E+01 volume 0.39925E-02 ppm1 7.515 ppm2 3.770 CV 1 ASSI { 897} (( segid " A" and resid 269 and name HN )) (( segid " A" and resid 269 and name HB2 )) 2.500 0.800 0.800 peak 897 spectrum 1 weight 0.10000E+01 volume 0.62681E-02 ppm1 7.515 ppm2 3.512 CV 1 ASSI { 898} (( segid " A" and resid 252 and name HN )) (( segid " A" and resid 252 and name HB2 )) 3.600 1.600 1.600 peak 898 spectrum 1 weight 0.10000E+01 volume 0.23309E-02 ppm1 7.164 ppm2 3.040 CV 1 ASSI { 899} (( segid " A" and resid 252 and name HN )) (( segid " A" and resid 252 and name HB1 )) 3.000 1.100 1.100 peak 899 spectrum 1 weight 0.10000E+01 volume 0.24926E-02 ppm1 7.167 ppm2 2.785 CV 1 ASSI { 900} (( segid " A" and resid 269 and name HN )) (( segid " A" and resid 266 and name HA )) 3.200 1.200 1.200 peak 900 spectrum 1 weight 0.10000E+01 volume 0.23068E-02 ppm1 7.513 ppm2 2.364 CV 1 ASSI { 901} (( segid " A" and resid 252 and name HN )) (( segid " A" and resid 250 and name HB1 )) 3.900 1.900 1.900 peak 901 spectrum 1 weight 0.10000E+01 volume 0.26553E-02 ppm1 7.165 ppm2 1.371 CV 1 ASSI { 902} (( segid " A" and resid 252 and name HN )) ( segid " A" and resid 241 and name HB% ) 3.100 1.200 1.200 peak 902 spectrum 1 weight 0.10000E+01 volume 0.37307E-02 ppm1 7.167 ppm2 0.802 CV 1 ASSI { 903} (( segid " A" and resid 252 and name HN )) ( segid " A" and resid 240 and name HD2%) 3.600 1.700 1.700 peak 903 spectrum 1 weight 0.10000E+01 volume 0.20068E-02 ppm1 7.165 ppm2 0.130 CV 1 ASSI { 904} (( segid " A" and resid 186 and name HN )) ( segid " A" and resid 185 and name HG1%) 4.000 2.000 2.000 peak 904 spectrum 1 weight 0.10000E+01 volume 0.18031E-02 ppm1 9.010 ppm2 1.010 CV 1 OR { 904} (( segid " A" and resid 186 and name HN )) ( segid " A" and resid 185 and name HG2%) ASSI { 905} (( segid " A" and resid 186 and name HN )) (( segid " A" and resid 185 and name HA )) 2.700 0.900 0.900 peak 905 spectrum 1 weight 0.10000E+01 volume 0.31034E-02 ppm1 9.016 ppm2 5.371 CV 1 ASSI { 906} (( segid " A" and resid 262 and name HN )) (( segid " A" and resid 262 and name HA )) 3.000 1.100 1.100 peak 906 spectrum 1 weight 0.10000E+01 volume 0.37661E-02 ppm1 6.870 ppm2 4.030 CV 1 ASSI { 907} (( segid " A" and resid 262 and name HN )) (( segid " A" and resid 263 and name HB1 )) 4.300 2.300 1.700 peak 907 spectrum 1 weight 0.10000E+01 volume 0.19745E-02 ppm1 6.873 ppm2 3.846 CV 1 ASSI { 908} (( segid " A" and resid 262 and name HN )) (( segid " A" and resid 262 and name HB1 )) 3.300 1.400 1.400 peak 908 spectrum 1 weight 0.10000E+01 volume 0.38533E-02 ppm1 6.871 ppm2 3.497 CV 1 ASSI { 909} (( segid " A" and resid 262 and name HN )) (( segid " A" and resid 262 and name HB2 )) 2.800 1.000 1.000 peak 909 spectrum 1 weight 0.10000E+01 volume 0.29737E-02 ppm1 6.870 ppm2 2.801 CV 1 ASSI { 910} (( segid " A" and resid 262 and name HN )) (( segid " A" and resid 259 and name HB1 )) 3.600 1.600 1.600 peak 910 spectrum 1 weight 0.10000E+01 volume 0.23257E-02 ppm1 6.872 ppm2 2.039 CV 1 ASSI { 911} (( segid " A" and resid 262 and name HN )) (( segid " A" and resid 259 and name HB2 )) 2.600 0.800 0.800 peak 911 spectrum 1 weight 0.10000E+01 volume 0.48131E-02 ppm1 6.872 ppm2 1.907 CV 1 ASSI { 913} (( segid " A" and resid 268 and name HN )) (( segid " A" and resid 267 and name HN )) 2.300 0.700 0.700 peak 913 spectrum 1 weight 0.10000E+01 volume 0.10004E-01 ppm1 7.667 ppm2 7.559 CV 1 ASSI { 914} (( segid " A" and resid 268 and name HN )) (( segid " A" and resid 268 and name HA )) 2.500 0.800 0.800 peak 914 spectrum 1 weight 0.10000E+01 volume 0.11291E-01 ppm1 7.667 ppm2 4.230 CV 1 ASSI { 915} (( segid " A" and resid 268 and name HN )) (( segid " A" and resid 268 and name HB2 )) 2.300 0.700 0.700 peak 915 spectrum 1 weight 0.10000E+01 volume 0.16184E-01 ppm1 7.667 ppm2 3.969 CV 1 OR { 915} (( segid " A" and resid 268 and name HN )) (( segid " A" and resid 268 and name HB1 )) ASSI { 916} (( segid " A" and resid 268 and name HN )) (( segid " A" and resid 267 and name HA )) 2.900 1.100 1.100 peak 916 spectrum 1 weight 0.10000E+01 volume 0.31176E-02 ppm1 7.667 ppm2 3.466 CV 1 ASSI { 917} (( segid " A" and resid 268 and name HN )) (( segid " A" and resid 267 and name HB )) 2.400 0.700 0.700 peak 917 spectrum 1 weight 0.10000E+01 volume 0.98974E-02 ppm1 7.668 ppm2 2.088 CV 1 ASSI { 918} (( segid " A" and resid 268 and name HN )) ( segid " A" and resid 267 and name HG2%) 3.100 1.200 1.200 peak 918 spectrum 1 weight 0.10000E+01 volume 0.81547E-02 ppm1 7.667 ppm2 1.005 CV 1 OR { 918} (( segid " A" and resid 268 and name HN )) ( segid " A" and resid 267 and name HG1%) ASSI { 920} (( segid " A" and resid 132 and name HN )) ( segid " A" and resid 132 and name HD% ) 2.500 0.800 0.800 peak 920 spectrum 1 weight 0.10000E+01 volume 0.64568E-02 ppm1 8.112 ppm2 7.981 CV 1 ASSI { 921} (( segid " A" and resid 117 and name HN )) (( segid " A" and resid 185 and name HA )) 3.900 1.900 1.900 peak 921 spectrum 1 weight 0.10000E+01 volume 0.18085E-02 ppm1 9.117 ppm2 5.372 CV 1 ASSI { 922} (( segid " A" and resid 117 and name HN )) (( segid " A" and resid 117 and name HA2 )) 3.400 1.500 1.500 peak 922 spectrum 1 weight 0.10000E+01 volume 0.18380E-02 ppm1 9.112 ppm2 4.807 CV 1 ASSI { 923} (( segid " A" and resid 132 and name HN )) (( segid " A" and resid 132 and name HA )) 2.800 1.000 1.000 peak 923 spectrum 1 weight 0.10000E+01 volume 0.36269E-02 ppm1 8.113 ppm2 4.768 CV 1 ASSI { 924} (( segid " A" and resid 117 and name HN )) (( segid " A" and resid 116 and name HA )) 2.400 0.700 0.700 peak 924 spectrum 1 weight 0.10000E+01 volume 0.70629E-02 ppm1 9.117 ppm2 4.604 CV 1 ASSI { 925} (( segid " A" and resid 132 and name HN )) (( segid " A" and resid 131 and name HA )) 3.400 1.500 1.500 peak 925 spectrum 1 weight 0.10000E+01 volume 0.19934E-02 ppm1 8.111 ppm2 4.221 CV 1 ASSI { 926} (( segid " A" and resid 132 and name HN )) (( segid " A" and resid 128 and name HA )) 3.300 1.400 1.400 peak 926 spectrum 1 weight 0.10000E+01 volume 0.20363E-02 ppm1 8.114 ppm2 3.751 CV 1 ASSI { 927} (( segid " A" and resid 132 and name HN )) (( segid " A" and resid 132 and name HB2 )) 2.500 0.800 0.800 peak 927 spectrum 1 weight 0.10000E+01 volume 0.31152E-02 ppm1 8.113 ppm2 3.554 CV 1 ASSI { 928} (( segid " A" and resid 117 and name HN )) (( segid " A" and resid 117 and name HA1 )) 2.900 1.000 1.000 peak 928 spectrum 1 weight 0.10000E+01 volume 0.26671E-02 ppm1 9.116 ppm2 3.541 CV 1 ASSI { 929} (( segid " A" and resid 132 and name HN )) (( segid " A" and resid 132 and name HB1 )) 3.400 1.500 1.500 peak 929 spectrum 1 weight 0.10000E+01 volume 0.48131E-02 ppm1 8.112 ppm2 2.877 CV 1 ASSI { 930} (( segid " A" and resid 132 and name HN )) ( segid " A" and resid 133 and name HB% ) 4.600 2.600 1.400 peak 930 spectrum 1 weight 0.10000E+01 volume 0.16531E-02 ppm1 8.107 ppm2 1.630 CV 1 ASSI { 931} (( segid " A" and resid 132 and name HN )) ( segid " A" and resid 131 and name HB% ) 2.900 1.100 1.100 peak 931 spectrum 1 weight 0.10000E+01 volume 0.47660E-02 ppm1 8.112 ppm2 1.470 CV 1 ASSI { 932} (( segid " A" and resid 132 and name HN )) ( segid " A" and resid 138 and name HD1%) 3.700 1.700 1.700 peak 932 spectrum 1 weight 0.10000E+01 volume 0.20495E-02 ppm1 8.113 ppm2 0.792 CV 1 ASSI { 933} (( segid " A" and resid 117 and name HN )) ( segid " A" and resid 116 and name HG2%) 3.900 1.900 1.900 peak 933 spectrum 1 weight 0.10000E+01 volume 0.24337E-02 ppm1 9.121 ppm2 0.745 CV 1 ASSI { 934} (( segid " A" and resid 117 and name HN )) ( segid " A" and resid 116 and name HG1%) 4.400 2.400 1.600 peak 934 spectrum 1 weight 0.10000E+01 volume 0.17066E-02 ppm1 9.123 ppm2 0.315 CV 1 ASSI { 935} (( segid " A" and resid 232 and name HN )) (( segid " A" and resid 257 and name HH )) 3.600 1.600 1.600 peak 935 spectrum 1 weight 0.10000E+01 volume 0.20844E-02 ppm1 6.903 ppm2 8.814 CV 1 ASSI { 937} (( segid " A" and resid 200 and name HE21)) (( segid " A" and resid 200 and name HE22)) 2.000 0.500 0.500 peak 937 spectrum 1 weight 0.10000E+01 volume 0.16484E-01 ppm1 6.704 ppm2 7.663 CV 1 ASSI { 938} (( segid " A" and resid 232 and name HN )) (( segid " A" and resid 233 and name HN )) 2.400 0.700 0.700 peak 938 spectrum 1 weight 0.10000E+01 volume 0.70416E-02 ppm1 6.904 ppm2 7.634 CV 1 ASSI { 940} (( segid " A" and resid 232 and name HN )) (( segid " A" and resid 231 and name HN )) 2.600 0.800 0.800 peak 940 spectrum 1 weight 0.10000E+01 volume 0.55394E-02 ppm1 6.904 ppm2 7.104 CV 1 ASSI { 942} (( segid " A" and resid 232 and name HN )) ( segid " A" and resid 257 and name HE% ) 4.300 2.300 1.700 peak 942 spectrum 1 weight 0.10000E+01 volume 0.21729E-02 ppm1 6.906 ppm2 6.694 CV 1 ASSI { 943} (( segid " A" and resid 232 and name HN )) (( segid " A" and resid 230 and name HA )) 3.100 1.200 1.200 peak 943 spectrum 1 weight 0.10000E+01 volume 0.26365E-02 ppm1 6.906 ppm2 4.884 CV 1 ASSI { 944} (( segid " A" and resid 215 and name HN )) (( segid " A" and resid 215 and name HB1 )) 3.800 1.800 1.800 peak 944 spectrum 1 weight 0.10000E+01 volume 0.17040E-02 ppm1 8.306 ppm2 4.457 CV 1 ASSI { 945} (( segid " A" and resid 232 and name HN )) (( segid " A" and resid 232 and name HA )) 2.700 0.900 0.900 peak 945 spectrum 1 weight 0.10000E+01 volume 0.70511E-02 ppm1 6.903 ppm2 4.416 CV 1 ASSI { 946} (( segid " A" and resid 232 and name HN )) (( segid " A" and resid 231 and name HA )) 3.100 1.200 1.200 peak 946 spectrum 1 weight 0.10000E+01 volume 0.36552E-02 ppm1 6.903 ppm2 3.924 CV 1 ASSI { 947} (( segid " A" and resid 232 and name HN )) (( segid " A" and resid 232 and name HB1 )) 3.700 1.700 1.700 peak 947 spectrum 1 weight 0.10000E+01 volume 0.44429E-02 ppm1 6.904 ppm2 3.501 CV 1 ASSI { 948} (( segid " A" and resid 232 and name HN )) (( segid " A" and resid 232 and name HB2 )) 2.600 0.900 0.900 peak 948 spectrum 1 weight 0.10000E+01 volume 0.53579E-02 ppm1 6.904 ppm2 2.671 CV 1 ASSI { 949} (( segid " A" and resid 232 and name HN )) ( segid " A" and resid 231 and name HB% ) 2.900 1.000 1.000 peak 949 spectrum 1 weight 0.10000E+01 volume 0.65393E-02 ppm1 6.905 ppm2 0.827 CV 1 ASSI { 950} (( segid " A" and resid 215 and name HN )) ( segid " A" and resid 216 and name HG2%) 4.100 2.100 1.900 peak 950 spectrum 1 weight 0.10000E+01 volume 0.18566E-02 ppm1 8.303 ppm2 0.409 CV 1 ASSI { 951} (( segid " A" and resid 140 and name HN )) (( segid " A" and resid 139 and name HN )) 2.400 0.700 0.700 peak 951 spectrum 1 weight 0.10000E+01 volume 0.62375E-02 ppm1 7.751 ppm2 9.541 CV 1 ASSI { 952} (( segid " A" and resid 237 and name HN )) (( segid " A" and resid 236 and name HN )) 2.000 0.500 0.500 peak 952 spectrum 1 weight 0.10000E+01 volume 0.71265E-02 ppm1 7.467 ppm2 9.111 CV 1 ASSI { 953} (( segid " A" and resid 237 and name HN )) (( segid " A" and resid 256 and name HN )) 2.700 0.900 0.900 peak 953 spectrum 1 weight 0.10000E+01 volume 0.39594E-02 ppm1 7.468 ppm2 8.801 CV 1 ASSI { 954} (( segid " A" and resid 140 and name HN )) (( segid " A" and resid 159 and name HN )) 3.100 1.200 1.200 peak 954 spectrum 1 weight 0.10000E+01 volume 0.28841E-02 ppm1 7.752 ppm2 8.680 CV 1 ASSI { 956} (( segid " A" and resid 215 and name HN )) (( segid " A" and resid 252 and name HA )) 4.000 2.000 2.000 peak 956 spectrum 1 weight 0.10000E+01 volume 0.19425E-02 ppm1 8.304 ppm2 5.628 CV 1 ASSI { 957} (( segid " A" and resid 215 and name HN )) (( segid " A" and resid 214 and name HA )) 2.600 0.900 0.900 peak 957 spectrum 1 weight 0.10000E+01 volume 0.56833E-02 ppm1 8.303 ppm2 5.113 CV 1 ASSI { 958} (( segid " A" and resid 140 and name HN )) (( segid " A" and resid 140 and name HA )) 2.700 0.900 0.900 peak 958 spectrum 1 weight 0.10000E+01 volume 0.51598E-02 ppm1 7.751 ppm2 4.513 CV 1 ASSI { 959} (( segid " A" and resid 237 and name HN )) (( segid " A" and resid 237 and name HA )) 2.600 0.800 0.800 peak 959 spectrum 1 weight 0.10000E+01 volume 0.44217E-02 ppm1 7.470 ppm2 4.499 CV 1 ASSI { 960} (( segid " A" and resid 247 and name HN )) (( segid " A" and resid 246 and name HA )) 3.500 1.500 1.500 peak 960 spectrum 1 weight 0.10000E+01 volume 0.27355E-02 ppm1 8.440 ppm2 4.438 CV 1 ASSI { 961} (( segid " A" and resid 140 and name HN )) (( segid " A" and resid 139 and name HA )) 3.300 1.300 1.300 peak 961 spectrum 1 weight 0.10000E+01 volume 0.31482E-02 ppm1 7.752 ppm2 4.345 CV 1 ASSI { 962} (( segid " A" and resid 237 and name HN )) (( segid " A" and resid 236 and name HA )) 3.100 1.200 1.200 peak 962 spectrum 1 weight 0.10000E+01 volume 0.38958E-02 ppm1 7.471 ppm2 4.334 CV 1 ASSI { 963} (( segid " A" and resid 215 and name HN )) (( segid " A" and resid 215 and name HB2 )) 3.300 1.400 1.400 peak 963 spectrum 1 weight 0.10000E+01 volume 0.22988E-02 ppm1 8.304 ppm2 4.288 CV 1 ASSI { 964} (( segid " A" and resid 247 and name HN )) (( segid " A" and resid 247 and name HA2 )) 2.600 0.900 0.900 peak 964 spectrum 1 weight 0.10000E+01 volume 0.49098E-02 ppm1 8.439 ppm2 4.250 CV 1 ASSI { 965} (( segid " A" and resid 237 and name HN )) (( segid " A" and resid 235 and name HA )) 4.100 2.200 1.900 peak 965 spectrum 1 weight 0.10000E+01 volume 0.26789E-02 ppm1 7.468 ppm2 4.048 CV 1 ASSI { 966} (( segid " A" and resid 215 and name HN )) (( segid " A" and resid 215 and name HA )) 2.300 0.600 0.600 peak 966 spectrum 1 weight 0.10000E+01 volume 0.12595E-01 ppm1 8.303 ppm2 3.863 CV 1 ASSI { 967} (( segid " A" and resid 247 and name HN )) (( segid " A" and resid 247 and name HA1 )) 3.200 1.300 1.300 peak 967 spectrum 1 weight 0.10000E+01 volume 0.45655E-02 ppm1 8.440 ppm2 3.792 CV 1 ASSI { 968} (( segid " A" and resid 140 and name HN )) (( segid " A" and resid 140 and name HB1 )) 2.800 1.000 1.000 peak 968 spectrum 1 weight 0.10000E+01 volume 0.52069E-02 ppm1 7.751 ppm2 3.777 CV 1 ASSI { 969} (( segid " A" and resid 237 and name HN )) (( segid " A" and resid 226 and name HA )) 4.700 2.800 1.300 peak 969 spectrum 1 weight 0.10000E+01 volume 0.32308E-02 ppm1 7.469 ppm2 3.735 CV 1 ASSI { 970} (( segid " A" and resid 237 and name HN )) (( segid " A" and resid 256 and name HB1 )) 3.600 1.600 1.600 peak 970 spectrum 1 weight 0.10000E+01 volume 0.37731E-02 ppm1 7.468 ppm2 2.187 CV 1 OR { 970} (( segid " A" and resid 237 and name HN )) (( segid " A" and resid 258 and name HG2 )) ASSI { 971} (( segid " A" and resid 140 and name HN )) (( segid " A" and resid 159 and name HB2 )) 3.200 1.300 1.300 peak 971 spectrum 1 weight 0.10000E+01 volume 0.63507E-02 ppm1 7.752 ppm2 2.060 CV 1 OR { 971} (( segid " A" and resid 140 and name HN )) (( segid " A" and resid 159 and name HG2 )) OR { 971} (( segid " A" and resid 140 and name HN )) (( segid " A" and resid 159 and name HG1 )) ASSI { 972} (( segid " A" and resid 237 and name HN )) (( segid " A" and resid 236 and name HB1 )) 2.600 0.900 0.900 peak 972 spectrum 1 weight 0.10000E+01 volume 0.59120E-02 ppm1 7.469 ppm2 1.739 CV 1 ASSI { 973} (( segid " A" and resid 140 and name HN )) (( segid " A" and resid 159 and name HB1 )) 2.700 0.900 0.900 peak 973 spectrum 1 weight 0.10000E+01 volume 0.35680E-02 ppm1 7.750 ppm2 1.696 CV 1 ASSI { 974} (( segid " A" and resid 140 and name HN )) (( segid " A" and resid 139 and name HB2 )) 3.300 1.400 1.400 peak 974 spectrum 1 weight 0.10000E+01 volume 0.65700E-02 ppm1 7.752 ppm2 1.556 CV 1 ASSI { 975} (( segid " A" and resid 237 and name HN )) (( segid " A" and resid 236 and name HB2 )) 3.400 1.500 1.500 peak 975 spectrum 1 weight 0.10000E+01 volume 0.49475E-02 ppm1 7.467 ppm2 1.490 CV 1 ASSI { 976} (( segid " A" and resid 140 and name HN )) (( segid " A" and resid 139 and name HB1 )) 2.600 0.800 0.800 peak 976 spectrum 1 weight 0.10000E+01 volume 0.53579E-02 ppm1 7.751 ppm2 1.434 CV 1 ASSI { 977} (( segid " A" and resid 237 and name HN )) (( segid " A" and resid 226 and name HG2 )) 4.000 2.000 2.000 peak 977 spectrum 1 weight 0.10000E+01 volume 0.26412E-02 ppm1 7.467 ppm2 1.382 CV 1 OR { 977} (( segid " A" and resid 237 and name HN )) (( segid " A" and resid 236 and name HG2 )) OR { 977} (( segid " A" and resid 237 and name HN )) (( segid " A" and resid 236 and name HG1 )) ASSI { 978} (( segid " A" and resid 215 and name HN )) ( segid " A" and resid 214 and name HB% ) 2.300 0.700 0.700 peak 978 spectrum 1 weight 0.10000E+01 volume 0.85627E-02 ppm1 8.304 ppm2 1.291 CV 1 ASSI { 979} (( segid " A" and resid 237 and name HN )) ( segid " A" and resid 235 and name HG2%) 2.000 0.500 0.500 peak 979 spectrum 1 weight 0.10000E+01 volume 0.10110E-01 ppm1 7.469 ppm2 0.602 CV 1 ASSI { 980} (( segid " A" and resid 140 and name HN )) ( segid " A" and resid 138 and name HG2%) 2.400 0.700 0.700 peak 980 spectrum 1 weight 0.10000E+01 volume 0.90131E-02 ppm1 7.751 ppm2 0.564 CV 1 ASSI { 981} (( segid " A" and resid 237 and name HN )) ( segid " A" and resid 255 and name HG2%) 3.500 1.500 1.500 peak 981 spectrum 1 weight 0.10000E+01 volume 0.19826E-02 ppm1 7.467 ppm2 0.243 CV 1 ASSI { 984} (( segid " A" and resid 283 and name HN )) (( segid " A" and resid 282 and name HA )) 2.100 0.600 0.600 peak 984 spectrum 1 weight 0.10000E+01 volume 0.13312E-01 ppm1 9.068 ppm2 5.407 CV 1 ASSI { 985} (( segid " A" and resid 283 and name HN )) (( segid " A" and resid 283 and name HA1 )) 2.700 0.900 0.900 peak 985 spectrum 1 weight 0.10000E+01 volume 0.51904E-02 ppm1 9.067 ppm2 4.609 CV 1 ASSI { 986} (( segid " A" and resid 227 and name HN )) (( segid " A" and resid 224 and name HA )) 2.800 1.000 1.000 peak 986 spectrum 1 weight 0.10000E+01 volume 0.54640E-02 ppm1 7.838 ppm2 4.422 CV 1 ASSI { 987} (( segid " A" and resid 227 and name HN )) (( segid " A" and resid 227 and name HA )) 2.500 0.800 0.800 peak 987 spectrum 1 weight 0.10000E+01 volume 0.11051E-01 ppm1 7.837 ppm2 4.265 CV 1 ASSI { 988} (( segid " A" and resid 283 and name HN )) (( segid " A" and resid 283 and name HA2 )) 2.800 1.000 1.000 peak 988 spectrum 1 weight 0.10000E+01 volume 0.45608E-02 ppm1 9.069 ppm2 4.051 CV 1 ASSI { 989} (( segid " A" and resid 227 and name HN )) (( segid " A" and resid 227 and name HB1 )) 2.300 0.700 0.700 peak 989 spectrum 1 weight 0.10000E+01 volume 0.18826E-01 ppm1 7.838 ppm2 4.035 CV 1 OR { 989} (( segid " A" and resid 227 and name HN )) (( segid " A" and resid 227 and name HB2 )) ASSI { 990} (( segid " A" and resid 227 and name HN )) (( segid " A" and resid 226 and name HA )) 3.100 1.200 1.200 peak 990 spectrum 1 weight 0.10000E+01 volume 0.31836E-02 ppm1 7.838 ppm2 3.718 CV 1 ASSI { 991} (( segid " A" and resid 283 and name HN )) (( segid " A" and resid 212 and name HB1 )) 3.200 1.300 1.300 peak 991 spectrum 1 weight 0.10000E+01 volume 0.18005E-02 ppm1 9.065 ppm2 2.345 CV 1 ASSI { 992} (( segid " A" and resid 227 and name HN )) (( segid " A" and resid 226 and name HB2 )) 3.100 1.200 1.200 peak 992 spectrum 1 weight 0.10000E+01 volume 0.79849E-02 ppm1 7.834 ppm2 2.040 CV 1 ASSI { 993} (( segid " A" and resid 227 and name HN )) (( segid " A" and resid 226 and name HD1 )) 4.300 2.300 1.700 peak 993 spectrum 1 weight 0.10000E+01 volume 0.20924E-02 ppm1 7.838 ppm2 1.702 CV 1 OR { 993} (( segid " A" and resid 227 and name HN )) (( segid " A" and resid 226 and name HD2 )) ASSI { 994} (( segid " A" and resid 227 and name HN )) (( segid " A" and resid 226 and name HG2 )) 3.500 1.500 1.500 peak 994 spectrum 1 weight 0.10000E+01 volume 0.22049E-02 ppm1 7.838 ppm2 1.416 CV 1 ASSI { 995} (( segid " A" and resid 283 and name HN )) ( segid " A" and resid 282 and name HG2%) 2.100 0.600 0.600 peak 995 spectrum 1 weight 0.10000E+01 volume 0.12201E-01 ppm1 9.067 ppm2 1.054 CV 1 ASSI { 996} (( segid " A" and resid 227 and name HN )) ( segid " A" and resid 228 and name HG2%) 4.400 2.400 1.600 peak 996 spectrum 1 weight 0.10000E+01 volume 0.16312E-02 ppm1 7.839 ppm2 0.678 CV 1 OR { 996} (( segid " A" and resid 227 and name HN )) ( segid " A" and resid 225 and name HG2%) ASSI { 997} (( segid " A" and resid 172 and name HE21)) (( segid " A" and resid 172 and name HE22)) 2.000 0.500 0.500 peak 997 spectrum 1 weight 0.10000E+01 volume 0.10428E-01 ppm1 7.768 ppm2 6.910 CV 1 ASSI { 998} (( segid " A" and resid 172 and name HE22)) (( segid " A" and resid 172 and name HG2 )) 4.100 2.100 1.900 peak 998 spectrum 1 weight 0.10000E+01 volume 0.22507E-02 ppm1 6.914 ppm2 2.788 CV 1 ASSI { 1000} (( segid " A" and resid 172 and name HE21)) (( segid " A" and resid 172 and name HG2 )) 3.100 1.200 1.200 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.33652E-02 ppm1 7.766 ppm2 2.797 CV 1 ASSI { 1001} (( segid " A" and resid 172 and name HE21)) (( segid " A" and resid 172 and name HG1 )) 2.900 1.000 1.000 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.26058E-02 ppm1 7.770 ppm2 2.432 CV 1 ASSI { 1002} (( segid " A" and resid 172 and name HE22)) ( segid " A" and resid 282 and name HG1%) 3.800 1.800 1.800 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.18406E-02 ppm1 6.909 ppm2 1.046 CV 1 OR { 1002} (( segid " A" and resid 172 and name HE22)) ( segid " A" and resid 168 and name HD2%) OR { 1002} (( segid " A" and resid 172 and name HE22)) (( segid " A" and resid 281 and name HG2 )) ASSI { 1003} (( segid " A" and resid 172 and name HE21)) ( segid " A" and resid 168 and name HD1%) 3.200 1.300 1.300 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.21755E-02 ppm1 7.767 ppm2 0.936 CV 1 ASSI { 1004} (( segid " A" and resid 172 and name HE22)) ( segid " A" and resid 168 and name HD1%) 3.600 1.600 1.600 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.17951E-02 ppm1 6.911 ppm2 0.933 CV 1 ASSI { 1005} (( segid " A" and resid 278 and name HE21)) (( segid " A" and resid 217 and name HA )) 3.600 1.700 1.700 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.19988E-02 ppm1 6.934 ppm2 3.902 CV 1 ASSI { 1007} (( segid " A" and resid 278 and name HE21)) (( segid " A" and resid 278 and name HE22)) 1.900 0.400 0.400 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.19675E-01 ppm1 6.934 ppm2 6.809 CV 1 ASSI { 1008} (( segid " A" and resid 278 and name HE22)) (( segid " A" and resid 217 and name HA )) 3.300 1.300 1.300 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.20283E-02 ppm1 6.808 ppm2 3.904 CV 1 ASSI { 1009} (( segid " A" and resid 278 and name HE21)) (( segid " A" and resid 278 and name HB2 )) 3.200 1.300 1.300 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.23257E-02 ppm1 6.932 ppm2 2.153 CV 1 ASSI { 1010} (( segid " A" and resid 278 and name HE21)) (( segid " A" and resid 278 and name HB1 )) 3.500 1.500 1.500 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.22318E-02 ppm1 6.932 ppm2 2.014 CV 1 ASSI { 1011} (( segid " A" and resid 246 and name HN )) (( segid " A" and resid 247 and name HN )) 2.900 1.000 1.000 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.19880E-02 ppm1 7.667 ppm2 8.443 CV 1 ASSI { 1012} (( segid " A" and resid 246 and name HN )) (( segid " A" and resid 246 and name HA )) 3.000 1.100 1.100 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.38321E-02 ppm1 7.665 ppm2 4.461 CV 1 ASSI { 1013} (( segid " A" and resid 246 and name HN )) (( segid " A" and resid 246 and name HB )) 3.400 1.400 1.400 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.36222E-02 ppm1 7.665 ppm2 4.292 CV 1 ASSI { 1014} (( segid " A" and resid 246 and name HN )) ( segid " A" and resid 246 and name HG2%) 2.900 1.100 1.100 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.46457E-02 ppm1 7.665 ppm2 1.220 CV 1 ASSI { 1015} (( segid " A" and resid 233 and name HN )) ( segid " A" and resid 232 and name HE% ) 4.700 2.700 1.300 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.25563E-02 ppm1 7.636 ppm2 7.396 CV 1 ASSI { 1016} (( segid " A" and resid 233 and name HN )) (( segid " A" and resid 231 and name HN )) 4.300 2.300 1.700 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.17040E-02 ppm1 7.635 ppm2 7.098 CV 1 ASSI { 1018} (( segid " A" and resid 233 and name HN )) ( segid " A" and resid 257 and name HE% ) 3.000 1.100 1.100 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.34996E-02 ppm1 7.635 ppm2 6.693 CV 1 ASSI { 1019} (( segid " A" and resid 233 and name HN )) (( segid " A" and resid 230 and name HA )) 2.600 0.900 0.900 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.48579E-02 ppm1 7.637 ppm2 4.888 CV 1 ASSI { 1020} (( segid " A" and resid 233 and name HN )) (( segid " A" and resid 233 and name HA2 )) 3.000 1.100 1.100 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.47966E-02 ppm1 7.637 ppm2 4.520 CV 1 ASSI { 1021} (( segid " A" and resid 233 and name HN )) (( segid " A" and resid 232 and name HA )) 3.400 1.400 1.400 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.38698E-02 ppm1 7.635 ppm2 4.420 CV 1 ASSI { 1022} (( segid " A" and resid 233 and name HN )) (( segid " A" and resid 233 and name HA1 )) 2.400 0.700 0.700 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.83811E-02 ppm1 7.635 ppm2 3.915 CV 1 ASSI { 1023} (( segid " A" and resid 233 and name HN )) (( segid " A" and resid 232 and name HB1 )) 4.200 2.200 1.800 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.18620E-02 ppm1 7.635 ppm2 3.495 CV 1 ASSI { 1024} (( segid " A" and resid 233 and name HN )) (( segid " A" and resid 232 and name HB2 )) 2.900 1.100 1.100 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.23912E-02 ppm1 7.635 ppm2 2.661 CV 1 ASSI { 1025} (( segid " A" and resid 233 and name HN )) ( segid " A" and resid 231 and name HB% ) 2.900 2.900 3.100 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.18434E-02 ppm1 7.634 ppm2 0.820 CV 1 ASSI { 1026} (( segid " A" and resid 287 and name HN )) (( segid " A" and resid 286 and name HN )) 2.600 0.800 0.800 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.65629E-02 ppm1 7.257 ppm2 9.853 CV 1 ASSI { 1028} (( segid " A" and resid 135 and name HN )) (( segid " A" and resid 136 and name HN )) 2.500 0.800 0.800 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.58814E-02 ppm1 6.561 ppm2 7.741 CV 1 ASSI { 1029} (( segid " A" and resid 135 and name HN )) ( segid " A" and resid 135 and name HD% ) 2.400 0.700 0.700 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.68483E-02 ppm1 6.562 ppm2 7.287 CV 1 ASSI { 1030} (( segid " A" and resid 162 and name HN )) (( segid " A" and resid 160 and name HA )) 4.100 2.100 1.900 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.18514E-02 ppm1 6.868 ppm2 5.135 CV 1 ASSI { 1031} (( segid " A" and resid 162 and name HN )) (( segid " A" and resid 162 and name HA )) 2.800 1.000 1.000 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.37519E-02 ppm1 6.869 ppm2 4.879 CV 1 ASSI { 1032} (( segid " A" and resid 287 and name HN )) (( segid " A" and resid 285 and name HA )) 3.400 1.400 1.400 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.34996E-02 ppm1 7.256 ppm2 4.756 CV 1 ASSI { 1033} (( segid " A" and resid 135 and name HN )) (( segid " A" and resid 132 and name HA )) 3.500 1.500 1.500 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.19076E-02 ppm1 6.564 ppm2 4.741 CV 1 OR { 1033} (( segid " A" and resid 135 and name HN )) (( segid " A" and resid 133 and name HA )) ASSI { 1034} (( segid " A" and resid 287 and name HN )) (( segid " A" and resid 287 and name HA )) 2.700 0.900 0.900 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.45702E-02 ppm1 7.256 ppm2 4.683 CV 1 ASSI { 1035} (( segid " A" and resid 287 and name HN )) (( segid " A" and resid 286 and name HA )) 3.200 1.300 1.300 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.36175E-02 ppm1 7.254 ppm2 4.543 CV 1 ASSI { 1036} (( segid " A" and resid 287 and name HN )) (( segid " A" and resid 287 and name HB )) 3.700 1.700 1.700 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.17092E-02 ppm1 7.258 ppm2 4.231 CV 1 ASSI { 1037} (( segid " A" and resid 162 and name HN )) (( segid " A" and resid 161 and name HA )) 3.200 1.300 1.300 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.28039E-02 ppm1 6.868 ppm2 4.223 CV 1 ASSI { 1038} (( segid " A" and resid 135 and name HN )) (( segid " A" and resid 134 and name HA )) 3.400 1.500 1.500 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.19559E-02 ppm1 6.563 ppm2 4.068 CV 1 ASSI { 1039} (( segid " A" and resid 135 and name HN )) (( segid " A" and resid 135 and name HA )) 2.800 1.000 1.000 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.46197E-02 ppm1 6.561 ppm2 3.921 CV 1 ASSI { 1040} (( segid " A" and resid 162 and name HN )) (( segid " A" and resid 163 and name HD2 )) 3.800 1.800 1.800 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.21193E-02 ppm1 6.867 ppm2 3.619 CV 1 OR { 1040} (( segid " A" and resid 162 and name HN )) (( segid " A" and resid 112 and name HB1 )) ASSI { 1041} (( segid " A" and resid 135 and name HN )) (( segid " A" and resid 135 and name HB1 )) 3.600 1.600 1.600 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.36010E-02 ppm1 6.563 ppm2 3.484 CV 1 ASSI { 1042} (( segid " A" and resid 162 and name HN )) (( segid " A" and resid 160 and name HB1 )) 2.500 0.800 0.800 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.60087E-02 ppm1 6.866 ppm2 3.148 CV 1 ASSI { 1043} (( segid " A" and resid 135 and name HN )) (( segid " A" and resid 134 and name HD2 )) 3.000 1.100 1.100 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.20924E-02 ppm1 6.568 ppm2 3.097 CV 1 ASSI { 1044} (( segid " A" and resid 162 and name HN )) (( segid " A" and resid 160 and name HB2 )) 3.200 1.300 1.300 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.40302E-02 ppm1 6.866 ppm2 2.788 CV 1 ASSI { 1045} (( segid " A" and resid 135 and name HN )) (( segid " A" and resid 135 and name HB2 )) 2.600 0.800 0.800 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.41363E-02 ppm1 6.563 ppm2 2.644 CV 1 ASSI { 1046} (( segid " A" and resid 287 and name HN )) (( segid " A" and resid 286 and name HB )) 3.700 1.700 1.700 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.25162E-02 ppm1 7.256 ppm2 2.396 CV 1 ASSI { 1047} (( segid " A" and resid 162 and name HN )) (( segid " A" and resid 161 and name HB2 )) 3.000 1.100 1.100 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.38250E-02 ppm1 6.866 ppm2 2.239 CV 1 OR { 1047} (( segid " A" and resid 162 and name HN )) (( segid " A" and resid 162 and name HB )) ASSI { 1048} (( segid " A" and resid 162 and name HN )) (( segid " A" and resid 161 and name HB1 )) 3.800 1.800 1.800 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.23747E-02 ppm1 6.865 ppm2 2.000 CV 1 ASSI { 1049} (( segid " A" and resid 287 and name HN )) ( segid " A" and resid 285 and name HB% ) 2.800 1.000 1.000 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.62516E-02 ppm1 7.255 ppm2 1.546 CV 1 ASSI { 1050} (( segid " A" and resid 287 and name HN )) ( segid " A" and resid 287 and name HG2%) 3.000 1.100 1.100 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.50631E-02 ppm1 7.257 ppm2 1.128 CV 1 ASSI { 1051} (( segid " A" and resid 162 and name HN )) ( segid " A" and resid 162 and name HG1%) 3.300 1.400 1.400 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.24337E-02 ppm1 6.867 ppm2 1.082 CV 1 ASSI { 1052} (( segid " A" and resid 287 and name HN )) ( segid " A" and resid 286 and name HG1%) 4.100 2.100 1.900 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.29926E-02 ppm1 7.258 ppm2 0.813 CV 1 ASSI { 1053} (( segid " A" and resid 162 and name HN )) ( segid " A" and resid 162 and name HG2%) 2.500 0.800 0.800 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.66549E-02 ppm1 6.867 ppm2 0.783 CV 1 ASSI { 1054} (( segid " A" and resid 162 and name HN )) ( segid " A" and resid 165 and name HB% ) 3.500 1.500 1.500 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.31930E-02 ppm1 6.866 ppm2 0.679 CV 1 ASSI { 1055} (( segid " A" and resid 287 and name HN )) ( segid " A" and resid 286 and name HG2%) 2.900 1.000 1.000 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.37024E-02 ppm1 7.259 ppm2 0.582 CV 1 ASSI { 1056} (( segid " A" and resid 135 and name HN )) (( segid " A" and resid 134 and name HB1 )) 4.200 2.200 1.800 peak 1056 spectrum 1 weight 0.10000E+01 volume 0.16666E-02 ppm1 6.567 ppm2 0.308 CV 1 ASSI { 1057} (( segid " A" and resid 124 and name HN )) (( segid " A" and resid 124 and name HA2 )) 3.400 1.500 1.500 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.30279E-02 ppm1 8.289 ppm2 4.551 CV 1 ASSI { 1058} (( segid " A" and resid 124 and name HN )) (( segid " A" and resid 123 and name HA )) 2.500 0.800 0.800 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.59875E-02 ppm1 8.288 ppm2 4.420 CV 1 ASSI { 1059} (( segid " A" and resid 124 and name HN )) (( segid " A" and resid 124 and name HA1 )) 3.000 1.100 1.100 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.24808E-02 ppm1 8.289 ppm2 3.945 CV 1 ASSI { 1060} (( segid " A" and resid 124 and name HN )) ( segid " A" and resid 123 and name HD2%) 4.800 2.800 1.200 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.19156E-02 ppm1 8.289 ppm2 0.963 CV 1 ASSI { 1061} (( segid " A" and resid 124 and name HN )) (( segid " A" and resid 123 and name HB1 )) 3.900 1.900 1.900 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.16932E-02 ppm1 8.286 ppm2 1.383 CV 1 ASSI { 1063} (( segid " A" and resid 277 and name HN )) (( segid " A" and resid 277 and name HA2 )) 2.600 0.900 0.900 peak 1063 spectrum 1 weight 0.10000E+01 volume 0.71808E-02 ppm1 8.389 ppm2 4.085 CV 1 ASSI { 1064} (( segid " A" and resid 277 and name HN )) (( segid " A" and resid 277 and name HA1 )) 2.800 1.000 1.000 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.10216E-01 ppm1 8.388 ppm2 3.622 CV 1 ASSI { 1066} (( segid " A" and resid 253 and name HN )) ( segid " A" and resid 252 and name HD% ) 3.000 1.200 1.200 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.51598E-02 ppm1 8.831 ppm2 6.828 CV 1 ASSI { 1067} (( segid " A" and resid 253 and name HN )) (( segid " A" and resid 252 and name HA )) 2.300 0.700 0.700 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.96710E-02 ppm1 8.831 ppm2 5.639 CV 1 ASSI { 1068} (( segid " A" and resid 253 and name HN )) (( segid " A" and resid 214 and name HA )) 3.500 1.500 1.500 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.30775E-02 ppm1 8.830 ppm2 5.116 CV 1 ASSI { 1069} (( segid " A" and resid 253 and name HN )) (( segid " A" and resid 240 and name HA )) 4.100 2.100 1.900 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.18326E-02 ppm1 8.833 ppm2 4.584 CV 1 ASSI { 1070} (( segid " A" and resid 253 and name HN )) (( segid " A" and resid 253 and name HA2 )) 2.700 0.900 0.900 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.47589E-02 ppm1 8.829 ppm2 4.103 CV 1 ASSI { 1071} (( segid " A" and resid 253 and name HN )) (( segid " A" and resid 252 and name HB2 )) 2.500 0.800 0.800 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.51008E-02 ppm1 8.831 ppm2 3.049 CV 1 ASSI { 1072} (( segid " A" and resid 253 and name HN )) (( segid " A" and resid 252 and name HB1 )) 3.800 1.800 1.800 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.42542E-02 ppm1 8.831 ppm2 2.784 CV 1 ASSI { 1073} (( segid " A" and resid 253 and name HN )) ( segid " A" and resid 214 and name HB% ) 2.600 2.600 3.400 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.36552E-02 ppm1 8.831 ppm2 1.282 CV 1 OR { 1073} (( segid " A" and resid 253 and name HN )) (( segid " A" and resid 213 and name HB )) ASSI { 1074} (( segid " A" and resid 253 and name HN )) ( segid " A" and resid 213 and name HG2%) 3.000 1.100 1.100 peak 1074 spectrum 1 weight 0.10000E+01 volume 0.39594E-02 ppm1 8.831 ppm2 0.429 CV 1 OR { 1074} (( segid " A" and resid 253 and name HN )) ( segid " A" and resid 216 and name HG2%) ASSI { 1075} (( segid " A" and resid 253 and name HN )) ( segid " A" and resid 240 and name HD2%) 3.800 1.800 1.800 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.22212E-02 ppm1 8.834 ppm2 0.137 CV 1 ASSI { 1076} (( segid " A" and resid 136 and name HN )) ( segid " A" and resid 135 and name HD% ) 4.100 2.100 1.900 peak 1076 spectrum 1 weight 0.10000E+01 volume 0.18701E-02 ppm1 7.739 ppm2 7.289 CV 1 ASSI { 1077} (( segid " A" and resid 136 and name HN )) ( segid " A" and resid 160 and name HD% ) 3.400 1.500 1.500 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.26105E-02 ppm1 7.739 ppm2 6.822 CV 1 ASSI { 1079} (( segid " A" and resid 136 and name HN )) (( segid " A" and resid 165 and name HN )) 4.700 2.800 1.300 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.17147E-02 ppm1 7.742 ppm2 6.351 CV 1 ASSI { 1080} (( segid " A" and resid 136 and name HN )) (( segid " A" and resid 133 and name HA )) 2.900 1.100 1.100 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.27426E-02 ppm1 7.741 ppm2 4.720 CV 1 ASSI { 1081} (( segid " A" and resid 136 and name HN )) (( segid " A" and resid 136 and name HA2 )) 2.700 0.900 0.900 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.54640E-02 ppm1 7.740 ppm2 4.119 CV 1 ASSI { 1082} (( segid " A" and resid 136 and name HN )) (( segid " A" and resid 136 and name HA1 )) 2.500 0.800 0.800 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.71690E-02 ppm1 7.740 ppm2 3.957 CV 1 ASSI { 1083} (( segid " A" and resid 136 and name HN )) (( segid " A" and resid 135 and name HB1 )) 3.800 1.800 1.800 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.27096E-02 ppm1 7.743 ppm2 3.495 CV 1 ASSI { 1084} (( segid " A" and resid 136 and name HN )) (( segid " A" and resid 135 and name HB2 )) 3.000 1.100 1.100 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.18995E-02 ppm1 7.737 ppm2 2.647 CV 1 ASSI { 1085} (( segid " A" and resid 136 and name HN )) ( segid " A" and resid 133 and name HB% ) 4.000 2.000 2.000 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.17175E-02 ppm1 7.741 ppm2 1.635 CV 1 ASSI { 1086} (( segid " A" and resid 136 and name HN )) ( segid " A" and resid 214 and name HB% ) 3.500 1.500 1.500 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.19451E-02 ppm1 7.742 ppm2 1.289 CV 1 ASSI { 1087} (( segid " A" and resid 136 and name HN )) ( segid " A" and resid 165 and name HB% ) 3.300 1.400 1.400 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.24408E-02 ppm1 7.739 ppm2 0.678 CV 1 ASSI { 1088} (( segid " A" and resid 229 and name HN )) (( segid " A" and resid 230 and name HA )) 4.900 3.000 1.100 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.78599E-03 ppm1 8.290 ppm2 4.907 CV 1 ASSI { 1089} (( segid " A" and resid 228 and name HN )) (( segid " A" and resid 229 and name HB2 )) 4.200 2.200 1.800 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.12657E-02 ppm1 7.210 ppm2 2.849 CV 1 ASSI { 1091} (( segid " A" and resid 256 and name HN )) (( segid " A" and resid 255 and name HB )) 3.900 1.900 1.900 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.15366E-02 ppm1 8.799 ppm2 1.259 CV 1 ASSI { 1092} (( segid " A" and resid 283 and name HN )) (( segid " A" and resid 282 and name HN )) 4.200 2.200 1.800 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.12466E-02 ppm1 9.072 ppm2 8.787 CV 1 ASSI { 1093} (( segid " A" and resid 283 and name HN )) (( segid " A" and resid 284 and name HN )) 4.300 2.300 1.700 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.10730E-02 ppm1 9.063 ppm2 8.618 CV 1 ASSI { 1094} (( segid " A" and resid 283 and name HN )) (( segid " A" and resid 282 and name HB )) 4.300 2.300 1.700 peak 1094 spectrum 1 weight 0.10000E+01 volume 0.13564E-02 ppm1 9.069 ppm2 1.830 CV 1 ASSI { 1095} (( segid " A" and resid 281 and name HN )) (( segid " A" and resid 282 and name HN )) 4.500 2.500 1.500 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.84259E-03 ppm1 7.783 ppm2 8.776 CV 1 ASSI { 1097} (( segid " A" and resid 278 and name HN )) (( segid " A" and resid 279 and name HN )) 4.500 2.500 1.500 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.12789E-02 ppm1 7.236 ppm2 8.169 CV 1 ASSI { 1099} (( segid " A" and resid 279 and name HN )) (( segid " A" and resid 280 and name HN )) 4.500 2.500 1.500 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.11079E-02 ppm1 8.168 ppm2 9.183 CV 1 ASSI { 1102} (( segid " A" and resid 275 and name HN )) (( segid " A" and resid 280 and name HN )) 4.000 2.000 2.000 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.12010E-02 ppm1 8.366 ppm2 9.179 CV 1 ASSI { 1104} (( segid " A" and resid 275 and name HN )) (( segid " A" and resid 275 and name HG )) 4.100 2.100 1.900 peak 1104 spectrum 1 weight 0.10000E+01 volume 0.14892E-02 ppm1 8.377 ppm2 1.602 CV 1 ASSI { 1105} (( segid " A" and resid 274 and name HN )) (( segid " A" and resid 275 and name HN )) 4.700 2.800 1.300 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.98715E-03 ppm1 7.743 ppm2 8.366 CV 1 ASSI { 1106} (( segid " A" and resid 275 and name HN )) (( segid " A" and resid 274 and name HB2 )) 4.500 2.500 1.500 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.15213E-02 ppm1 8.375 ppm2 2.472 CV 1 ASSI { 1107} (( segid " A" and resid 213 and name HN )) (( segid " A" and resid 214 and name HN )) 4.100 2.100 1.900 peak 1107 spectrum 1 weight 0.10000E+01 volume 0.12390E-02 ppm1 7.715 ppm2 8.993 CV 1 ASSI { 1108} (( segid " A" and resid 213 and name HN )) (( segid " A" and resid 212 and name HN )) 4.300 2.300 1.700 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.11454E-02 ppm1 7.708 ppm2 9.193 CV 1 ASSI { 1110} (( segid " A" and resid 254 and name HN )) (( segid " A" and resid 253 and name HN )) 4.100 2.100 1.900 peak 1110 spectrum 1 weight 0.10000E+01 volume 0.15423E-02 ppm1 7.831 ppm2 8.807 CV 1 ASSI { 1113} (( segid " A" and resid 252 and name HN )) (( segid " A" and resid 253 and name HN )) 4.000 2.000 2.000 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.14114E-02 ppm1 7.162 ppm2 8.827 CV 1 ASSI { 1114} (( segid " A" and resid 252 and name HN )) (( segid " A" and resid 250 and name HN )) 4.400 2.400 1.600 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.15232E-02 ppm1 7.164 ppm2 8.617 CV 1 ASSI { 1115} (( segid " A" and resid 252 and name HN )) (( segid " A" and resid 241 and name HN )) 3.500 1.600 1.600 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.13699E-02 ppm1 7.165 ppm2 8.453 CV 1 ASSI { 1116} (( segid " A" and resid 249 and name HN )) (( segid " A" and resid 249 and name HB1 )) 3.100 1.200 1.200 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.15328E-02 ppm1 8.516 ppm2 3.318 CV 1 ASSI { 1117} (( segid " A" and resid 249 and name HN )) (( segid " A" and resid 249 and name HB2 )) 4.000 2.000 2.000 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.22132E-02 ppm1 8.519 ppm2 2.619 CV 1 ASSI { 1118} (( segid " A" and resid 220 and name HN )) (( segid " A" and resid 249 and name HD2 )) 4.400 2.400 1.600 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.11426E-02 ppm1 7.943 ppm2 7.090 CV 1 ASSI { 1119} (( segid " A" and resid 249 and name HN )) (( segid " A" and resid 248 and name HN )) 4.600 2.600 1.400 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.72727E-03 ppm1 8.518 ppm2 7.933 CV 1 ASSI { 1121} (( segid " A" and resid 220 and name HN )) (( segid " A" and resid 221 and name HN )) 4.100 2.100 1.900 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.12010E-02 ppm1 7.939 ppm2 9.492 CV 1 ASSI { 1122} (( segid " A" and resid 239 and name HN )) (( segid " A" and resid 240 and name HN )) 4.500 2.500 1.500 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.88810E-03 ppm1 8.173 ppm2 8.650 CV 1 ASSI { 1123} (( segid " A" and resid 241 and name HN )) (( segid " A" and resid 240 and name HN )) 4.400 2.400 1.600 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.10890E-02 ppm1 8.460 ppm2 8.635 CV 1 ASSI { 1124} (( segid " A" and resid 241 and name HN )) (( segid " A" and resid 254 and name HN )) 4.600 2.700 1.400 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.13869E-02 ppm1 8.467 ppm2 7.825 CV 1 ASSI { 1127} (( segid " A" and resid 231 and name HN )) (( segid " A" and resid 229 and name HN )) 4.100 2.100 1.900 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.69897E-03 ppm1 7.099 ppm2 8.292 CV 1 ASSI { 1128} (( segid " A" and resid 228 and name HN )) (( segid " A" and resid 230 and name HN )) 3.500 1.500 1.500 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.15706E-02 ppm1 7.204 ppm2 8.775 CV 1 ASSI { 1129} (( segid " A" and resid 227 and name HN )) (( segid " A" and resid 229 and name HN )) 4.100 2.100 1.900 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.75015E-03 ppm1 7.844 ppm2 8.289 CV 1 ASSI { 1130} (( segid " A" and resid 229 and name HN )) (( segid " A" and resid 227 and name HA )) 4.000 2.000 2.000 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.97795E-03 ppm1 8.282 ppm2 4.266 CV 1 ASSI { 1131} (( segid " A" and resid 161 and name HN )) (( segid " A" and resid 160 and name HN )) 4.400 2.400 1.600 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.12010E-02 ppm1 8.726 ppm2 8.952 CV 1 ASSI { 1132} (( segid " A" and resid 148 and name HN )) ( segid " A" and resid 148 and name HG1%) 4.100 2.100 1.900 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.14076E-02 ppm1 8.341 ppm2 0.986 CV 1 ASSI { 1133} (( segid " A" and resid 149 and name HN )) ( segid " A" and resid 149 and name HG2%) 3.600 1.600 1.600 peak 1133 spectrum 1 weight 0.10000E+01 volume 0.15574E-02 ppm1 7.747 ppm2 1.130 CV 1 ASSI { 1135} (( segid " A" and resid 178 and name HN )) (( segid " A" and resid 176 and name HN )) 3.100 3.100 2.900 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.10555E-02 ppm1 8.560 ppm2 7.422 CV 1 ASSI { 1137} (( segid " A" and resid 133 and name HN )) (( segid " A" and resid 131 and name HN )) 4.100 2.100 1.900 peak 1137 spectrum 1 weight 0.10000E+01 volume 0.12940E-02 ppm1 8.669 ppm2 7.752 CV 1 ASSI { 1138} (( segid " A" and resid 177 and name HN )) (( segid " A" and resid 178 and name HN )) 4.100 2.100 1.900 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.78316E-03 ppm1 8.274 ppm2 8.564 CV 1 ASSI { 1139} (( segid " A" and resid 177 and name HN )) (( segid " A" and resid 176 and name HN )) 4.600 2.600 1.400 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.79165E-03 ppm1 8.288 ppm2 7.417 CV 1 ASSI { 1140} (( segid " A" and resid 174 and name HN )) (( segid " A" and resid 173 and name HN )) 3.500 1.500 1.500 peak 1140 spectrum 1 weight 0.10000E+01 volume 0.11935E-02 ppm1 7.233 ppm2 8.111 CV 1 ASSI { 1141} (( segid " A" and resid 174 and name HN )) (( segid " A" and resid 173 and name HA )) 3.900 1.900 1.900 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.77562E-03 ppm1 7.237 ppm2 5.045 CV 1 ASSI { 1143} (( segid " A" and resid 284 and name HN )) (( segid " A" and resid 285 and name HN )) 4.400 2.400 1.600 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.13718E-02 ppm1 8.612 ppm2 7.773 CV 1 ASSI { 1145} (( segid " A" and resid 115 and name HN )) ( segid " A" and resid 115 and name HD% ) 4.700 2.800 1.300 peak 1145 spectrum 1 weight 0.10000E+01 volume 0.11954E-02 ppm1 8.844 ppm2 6.409 CV 1 ASSI { 1147} (( segid " A" and resid 224 and name HN )) (( segid " A" and resid 223 and name HN )) 3.600 1.600 1.600 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.94706E-03 ppm1 7.638 ppm2 8.319 CV 1 ASSI { 1149} (( segid " A" and resid 218 and name HN )) (( segid " A" and resid 217 and name HN )) 4.800 2.800 1.200 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.96993E-03 ppm1 7.953 ppm2 9.114 CV 1 ASSI { 1151} (( segid " A" and resid 208 and name HN )) (( segid " A" and resid 205 and name HA )) 3.500 1.500 1.500 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.14949E-02 ppm1 7.724 ppm2 3.887 CV 1 ASSI { 1152} (( segid " A" and resid 173 and name HN )) ( segid " A" and resid 173 and name HE% ) 4.600 2.600 1.400 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.15404E-02 ppm1 8.112 ppm2 1.401 CV 1 ASSI { 1153} (( segid " A" and resid 117 and name HN )) (( segid " A" and resid 184 and name HB2 )) 3.500 1.500 1.500 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.14663E-02 ppm1 9.113 ppm2 1.756 CV 1 ASSI { 1154} (( segid " A" and resid 117 and name HN )) (( segid " A" and resid 116 and name HB )) 3.700 1.700 1.700 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.15838E-02 ppm1 9.116 ppm2 1.613 CV 1 ASSI { 1155} (( segid " A" and resid 117 and name HN )) ( segid " A" and resid 185 and name HG2%) 4.100 2.200 1.900 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.16085E-02 ppm1 9.114 ppm2 1.021 CV 1 OR { 1155} (( segid " A" and resid 117 and name HN )) ( segid " A" and resid 185 and name HG1%) ASSI { 1156} (( segid " A" and resid 256 and name HN )) (( segid " A" and resid 210 and name HA )) 4.300 2.300 1.700 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.11690E-02 ppm1 8.801 ppm2 5.753 CV 1 ASSI { 1157} (( segid " A" and resid 256 and name HN )) (( segid " A" and resid 263 and name HB2 )) 4.100 2.100 1.900 peak 1157 spectrum 1 weight 0.10000E+01 volume 0.13527E-02 ppm1 8.796 ppm2 3.743 CV 1 OR { 1157} (( segid " A" and resid 256 and name HN )) (( segid " A" and resid 263 and name HA )) ASSI { 1158} (( segid " A" and resid 243 and name HN )) (( segid " A" and resid 248 and name HN )) 3.800 1.800 1.800 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.11011E-02 ppm1 8.466 ppm2 7.950 CV 1 ASSI { 1159} (( segid " A" and resid 254 and name HN )) (( segid " A" and resid 241 and name HN )) 4.700 2.700 1.300 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.12657E-02 ppm1 7.834 ppm2 8.457 CV 1 ASSI { 1160} (( segid " A" and resid 285 and name HN )) (( segid " A" and resid 212 and name HN )) 3.800 1.800 1.800 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.15460E-02 ppm1 7.778 ppm2 9.172 CV 1 ASSI { 1162} (( segid " A" and resid 212 and name HN )) ( segid " A" and resid 254 and name HE% ) 4.800 2.900 1.200 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.11400E-02 ppm1 9.186 ppm2 7.323 CV 1 ASSI { 1163} (( segid " A" and resid 156 and name HN )) (( segid " A" and resid 155 and name HB1 )) 3.900 1.900 1.900 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.13869E-02 ppm1 9.104 ppm2 2.981 CV 1 ASSI { 1164} (( segid " A" and resid 158 and name HN )) (( segid " A" and resid 115 and name HA )) 3.900 1.900 1.900 peak 1164 spectrum 1 weight 0.10000E+01 volume 0.13090E-02 ppm1 8.911 ppm2 4.519 CV 1 ASSI { 1165} (( segid " A" and resid 116 and name HN )) (( segid " A" and resid 156 and name HN )) 3.600 1.600 1.600 peak 1165 spectrum 1 weight 0.10000E+01 volume 0.13718E-02 ppm1 8.406 ppm2 9.102 CV 1 ASSI { 1166} (( segid " A" and resid 116 and name HN )) (( segid " A" and resid 157 and name HA )) 3.400 1.400 1.400 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.12258E-02 ppm1 8.409 ppm2 5.485 CV 1 ASSI { 1167} (( segid " A" and resid 140 and name HN )) (( segid " A" and resid 160 and name HA )) 4.500 2.500 1.500 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.13774E-02 ppm1 7.750 ppm2 5.127 CV 1 ASSI { 1168} (( segid " A" and resid 159 and name HN )) (( segid " A" and resid 158 and name HN )) 4.000 2.000 2.000 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.15687E-02 ppm1 8.676 ppm2 8.924 CV 1 ASSI { 1170} (( segid " A" and resid 185 and name HN )) (( segid " A" and resid 184 and name HN )) 4.100 2.100 1.900 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.13015E-02 ppm1 8.614 ppm2 7.992 CV 1 ASSI { 1171} (( segid " A" and resid 254 and name HN )) (( segid " A" and resid 238 and name HA )) 4.300 2.300 1.700 peak 1171 spectrum 1 weight 0.10000E+01 volume 0.13338E-02 ppm1 7.831 ppm2 4.775 CV 1 ASSI { 1172} (( segid " A" and resid 237 and name HN )) (( segid " A" and resid 257 and name HA )) 4.700 2.700 1.300 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.12258E-02 ppm1 7.467 ppm2 4.959 CV 1 ASSI { 1173} (( segid " A" and resid 213 and name HN )) ( segid " A" and resid 213 and name HG2%) 2.500 0.800 0.800 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.61997E-02 ppm1 7.711 ppm2 0.438 CV 1 ASSI { 1174} (( segid " A" and resid 186 and name HN )) (( segid " A" and resid 186 and name HA2 )) 3.100 1.200 1.200 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.11654E-02 ppm1 9.010 ppm2 3.942 CV 1 ASSI { 1175} (( segid " A" and resid 278 and name HE22)) (( segid " A" and resid 278 and name HB1 )) 4.500 2.500 1.500 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.11822E-02 ppm1 6.811 ppm2 2.007 CV 1 ASSI { 1176} (( segid " A" and resid 278 and name HE22)) (( segid " A" and resid 278 and name HB2 )) 4.600 2.600 1.400 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.95649E-03 ppm1 6.805 ppm2 2.138 CV 1 ASSI { 1177} (( segid " A" and resid 278 and name HE22)) (( segid " A" and resid 278 and name HG1 )) 4.600 2.600 1.400 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.10690E-02 ppm1 6.803 ppm2 2.294 CV 1 ASSI { 1178} (( segid " A" and resid 278 and name HE21)) (( segid " A" and resid 278 and name HG2 )) 3.600 1.600 1.600 peak 1178 spectrum 1 weight 0.10000E+01 volume 0.16085E-02 ppm1 6.928 ppm2 2.366 CV 1 ASSI { 1179} (( segid " A" and resid 278 and name HE21)) (( segid " A" and resid 278 and name HG1 )) 3.300 1.400 1.400 peak 1179 spectrum 1 weight 0.10000E+01 volume 0.13831E-02 ppm1 6.924 ppm2 2.303 CV 1 ASSI { 1180} (( segid " A" and resid 271 and name HD22)) (( segid " A" and resid 271 and name HA )) 4.700 2.800 1.300 peak 1180 spectrum 1 weight 0.10000E+01 volume 0.65723E-03 ppm1 6.451 ppm2 4.453 CV 1 ASSI { 1181} (( segid " A" and resid 271 and name HD21)) (( segid " A" and resid 271 and name HA )) 3.800 1.800 1.800 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.11534E-02 ppm1 7.867 ppm2 4.456 CV 1 ASSI { 1182} (( segid " A" and resid 245 and name HN )) (( segid " A" and resid 245 and name HA )) 3.300 1.400 1.400 peak 1182 spectrum 1 weight 0.10000E+01 volume 0.20415E-02 ppm1 8.462 ppm2 4.249 CV 1 ASSI { 1183} (( segid " A" and resid 265 and name HN )) (( segid " A" and resid 265 and name HB2 )) 2.300 2.300 3.700 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.10185E-01 ppm1 8.220 ppm2 2.742 CV 1 ASSI { 1184} (( segid " A" and resid 195 and name HE21)) (( segid " A" and resid 198 and name HB )) 4.000 2.000 2.000 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.10744E-02 ppm1 6.584 ppm2 2.020 CV 1 OR { 1184} (( segid " A" and resid 195 and name HE21)) (( segid " A" and resid 196 and name HG2 )) ASSI { 1185} (( segid " A" and resid 263 and name HN )) (( segid " A" and resid 263 and name HB2 )) 3.100 1.200 1.200 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.83811E-02 ppm1 6.950 ppm2 3.744 CV 1 ASSI { 1186} (( segid " A" and resid 239 and name HN )) (( segid " A" and resid 239 and name HA )) 2.700 0.900 0.900 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.55324E-02 ppm1 8.178 ppm2 4.885 CV 1 ASSI { 1187} (( segid " A" and resid 225 and name HN )) ( segid " A" and resid 225 and name HD1%) 3.200 1.200 1.200 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.67940E-02 ppm1 7.369 ppm2 0.663 CV 1 ASSI { 1188} (( segid " A" and resid 219 and name HN )) (( segid " A" and resid 219 and name HB2 )) 3.500 1.600 1.600 peak 1188 spectrum 1 weight 0.10000E+01 volume 0.95649E-03 ppm1 10.836 ppm2 2.887 CV 1 ASSI { 1189} (( segid " A" and resid 219 and name HN )) (( segid " A" and resid 219 and name HB1 )) 3.900 1.900 1.900 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.10690E-02 ppm1 10.834 ppm2 2.735 CV 1 ASSI { 1190} (( segid " A" and resid 205 and name HN )) (( segid " A" and resid 205 and name HA )) 2.800 1.000 1.000 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.61314E-02 ppm1 8.246 ppm2 3.902 CV 1 ASSI { 1191} (( segid " A" and resid 108 and name HN )) ( segid " A" and resid 108 and name HD2%) 3.200 1.300 1.300 peak 1191 spectrum 1 weight 0.10000E+01 volume 0.60630E-02 ppm1 8.172 ppm2 0.875 CV 1 ASSI { 1192} (( segid " A" and resid 140 and name HN )) (( segid " A" and resid 140 and name HB2 )) 3.300 1.400 1.400 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.30303E-02 ppm1 7.746 ppm2 3.721 CV 1 ASSI { 1193} (( segid " A" and resid 172 and name HE22)) (( segid " A" and resid 172 and name HB2 )) 4.200 2.200 1.800 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.14038E-02 ppm1 6.915 ppm2 1.772 CV 1 ASSI { 1194} (( segid " A" and resid 172 and name HE21)) (( segid " A" and resid 172 and name HB2 )) 4.000 2.000 2.000 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.96168E-03 ppm1 7.766 ppm2 1.784 CV 1 ASSI { 1195} (( segid " A" and resid 172 and name HE22)) (( segid " A" and resid 172 and name HG1 )) 4.200 2.200 1.800 peak 1195 spectrum 1 weight 0.10000E+01 volume 0.15725E-02 ppm1 6.918 ppm2 2.430 CV 1 ASSI { 1196} (( segid " A" and resid 172 and name HE22)) (( segid " A" and resid 172 and name HB1 )) 4.200 2.200 1.800 peak 1196 spectrum 1 weight 0.10000E+01 volume 0.15972E-02 ppm1 6.920 ppm2 2.386 CV 1 ASSI { 1197} (( segid " A" and resid 172 and name HE21)) (( segid " A" and resid 172 and name HB1 )) 3.800 1.800 1.800 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.18969E-02 ppm1 7.768 ppm2 2.389 CV 1 ASSI { 1198} (( segid " A" and resid 199 and name HN )) (( segid " A" and resid 199 and name HB1 )) 2.500 0.800 0.800 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.89919E-02 ppm1 8.667 ppm2 2.705 CV 1 ASSI { 1199} (( segid " A" and resid 200 and name HE21)) (( segid " A" and resid 200 and name HG1 )) 3.600 1.700 1.700 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.10289E-02 ppm1 6.703 ppm2 2.575 CV 1 ASSI { 1200} (( segid " A" and resid 200 and name HE21)) (( segid " A" and resid 200 and name HG2 )) 3.700 1.700 1.700 peak 1200 spectrum 1 weight 0.10000E+01 volume 0.93503E-03 ppm1 6.706 ppm2 2.372 CV 1 ASSI { 1201} (( segid " A" and resid 200 and name HE22)) (( segid " A" and resid 200 and name HG1 )) 4.400 2.400 1.600 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.15043E-02 ppm1 7.670 ppm2 2.583 CV 1 ASSI { 1202} (( segid " A" and resid 200 and name HE22)) (( segid " A" and resid 200 and name HG2 )) 4.400 2.500 1.600 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.14569E-02 ppm1 7.666 ppm2 2.364 CV 1 ASSI { 1203} (( segid " A" and resid 200 and name HN )) (( segid " A" and resid 200 and name HG2 )) 3.700 1.700 1.700 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.72869E-02 ppm1 7.671 ppm2 2.347 CV 1 ASSI { 1204} (( segid " A" and resid 200 and name HN )) (( segid " A" and resid 200 and name HB2 )) 2.400 0.700 0.700 peak 1204 spectrum 1 weight 0.10000E+01 volume 0.92701E-02 ppm1 7.675 ppm2 2.223 CV 1 ASSI { 1205} (( segid " A" and resid 114 and name HN )) ( segid " A" and resid 114 and name HG2%) 3.500 1.500 1.500 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.56691E-02 ppm1 9.114 ppm2 0.938 CV 1 ASSI { 1206} (( segid " A" and resid 242 and name HN )) (( segid " A" and resid 242 and name HA )) 3.000 1.100 1.100 peak 1206 spectrum 1 weight 0.10000E+01 volume 0.26648E-02 ppm1 8.486 ppm2 4.759 CV 1 ASSI { 1207} (( segid " A" and resid 240 and name HN )) ( segid " A" and resid 240 and name HD2%) 3.700 1.700 1.700 peak 1207 spectrum 1 weight 0.10000E+01 volume 0.30775E-02 ppm1 8.638 ppm2 0.140 CV 1 ASSI { 1208} (( segid " A" and resid 236 and name HN )) (( segid " A" and resid 236 and name HA )) 2.400 0.700 0.700 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.81665E-02 ppm1 9.118 ppm2 4.330 CV 1 ASSI { 1209} (( segid " A" and resid 236 and name HN )) (( segid " A" and resid 236 and name HB1 )) 2.400 0.700 0.700 peak 1209 spectrum 1 weight 0.10000E+01 volume 0.51904E-02 ppm1 9.126 ppm2 1.753 CV 1 ASSI { 1210} (( segid " A" and resid 220 and name HN )) (( segid " A" and resid 220 and name HB2 )) 2.500 0.800 0.800 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.53437E-02 ppm1 7.941 ppm2 1.290 CV 1 ASSI { 1211} (( segid " A" and resid 218 and name HN )) (( segid " A" and resid 218 and name HB2 )) 3.400 1.400 1.400 peak 1211 spectrum 1 weight 0.10000E+01 volume 0.71690E-02 ppm1 7.952 ppm2 1.807 CV 1 ASSI { 1212} (( segid " A" and resid 206 and name HN )) (( segid " A" and resid 206 and name HG1 )) 1.700 0.400 0.500 peak 1212 spectrum 1 weight 0.10000E+01 volume 0.25091E-01 ppm1 7.504 ppm2 2.036 CV 1 ASSI { 1213} (( segid " A" and resid 178 and name HN )) (( segid " A" and resid 178 and name HA )) 2.600 0.900 0.900 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.52517E-02 ppm1 8.557 ppm2 4.675 CV 1 ASSI { 1214} (( segid " A" and resid 160 and name HN )) (( segid " A" and resid 160 and name HA )) 3.200 1.200 1.200 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.16531E-02 ppm1 8.963 ppm2 5.140 CV 1 ASSI { 1215} (( segid " A" and resid 149 and name HN )) (( segid " A" and resid 149 and name HA )) 3.700 1.700 1.700 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.11171E-02 ppm1 7.751 ppm2 4.118 CV 1 ASSI { 1216} (( segid " A" and resid 128 and name HN )) ( segid " A" and resid 128 and name HD1%) 3.600 1.600 1.600 peak 1216 spectrum 1 weight 0.10000E+01 volume 0.34029E-02 ppm1 7.450 ppm2 0.533 CV 1 ASSI { 1218} (( segid " A" and resid 113 and name HN )) (( segid " A" and resid 114 and name HN )) 4.800 2.800 1.200 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.81830E-03 ppm1 7.441 ppm2 9.114 CV 1 ASSI { 1219} (( segid " A" and resid 131 and name HN )) (( segid " A" and resid 129 and name HN )) 4.000 2.000 2.000 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.10730E-02 ppm1 7.765 ppm2 8.917 CV 1 ASSI { 1220} (( segid " A" and resid 135 and name HN )) (( segid " A" and resid 160 and name HH )) 4.100 2.100 1.900 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.13263E-02 ppm1 6.562 ppm2 9.414 CV 1 ASSI { 1221} (( segid " A" and resid 136 and name HN )) (( segid " A" and resid 212 and name HH )) 4.300 2.300 1.700 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.13831E-02 ppm1 7.736 ppm2 9.089 CV 1 ASSI { 1222} (( segid " A" and resid 139 and name HN )) ( segid " A" and resid 160 and name HD% ) 4.700 2.800 1.300 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.11803E-02 ppm1 9.546 ppm2 6.840 CV 1 OR { 1222} (( segid " A" and resid 139 and name HN )) (( segid " A" and resid 162 and name HN )) ASSI { 1223} (( segid " A" and resid 141 and name HN )) (( segid " A" and resid 140 and name HN )) 4.300 2.300 1.700 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.12239E-02 ppm1 8.222 ppm2 7.747 CV 1 ASSI { 1224} (( segid " A" and resid 160 and name HN )) (( segid " A" and resid 159 and name HN )) 4.300 2.300 1.700 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.10166E-02 ppm1 8.965 ppm2 8.682 CV 1 ASSI { 1225} (( segid " A" and resid 162 and name HN )) (( segid " A" and resid 160 and name HN )) 4.500 2.500 1.500 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.12751E-02 ppm1 6.864 ppm2 8.962 CV 1 ASSI { 1227} (( segid " A" and resid 165 and name HN )) (( segid " A" and resid 162 and name HN )) 4.400 2.500 1.600 peak 1227 spectrum 1 weight 0.10000E+01 volume 0.16161E-02 ppm1 6.352 ppm2 6.841 CV 1 OR { 1227} (( segid " A" and resid 165 and name HN )) ( segid " A" and resid 160 and name HD% ) OR { 1227} (( segid " A" and resid 165 and name HN )) ( segid " A" and resid 252 and name HD% ) ASSI { 1228} (( segid " A" and resid 167 and name HN )) (( segid " A" and resid 165 and name HN )) 4.200 2.200 1.800 peak 1228 spectrum 1 weight 0.10000E+01 volume 0.11654E-02 ppm1 7.390 ppm2 6.350 CV 1 ASSI { 1229} (( segid " A" and resid 168 and name HN )) (( segid " A" and resid 170 and name HN )) 3.800 1.800 1.800 peak 1229 spectrum 1 weight 0.10000E+01 volume 0.10716E-02 ppm1 7.490 ppm2 8.022 CV 1 ASSI { 1231} (( segid " A" and resid 284 and name HN )) (( segid " A" and resid 284 and name HE2 )) 5.700 4.000 0.300 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.74260E-03 ppm1 8.621 ppm2 3.003 CV 1 OR { 1231} (( segid " A" and resid 284 and name HN )) (( segid " A" and resid 284 and name HE1 )) ASSI { 1232} (( segid " A" and resid 284 and name HN )) (( segid " A" and resid 284 and name HD1 )) 3.900 1.900 1.900 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.33652E-02 ppm1 8.620 ppm2 1.758 CV 1 OR { 1232} (( segid " A" and resid 284 and name HN )) (( segid " A" and resid 284 and name HD2 )) ASSI { 1233} (( segid " A" and resid 259 and name HN )) (( segid " A" and resid 259 and name HB2 )) 2.500 0.800 0.800 peak 1233 spectrum 1 weight 0.10000E+01 volume 0.51456E-02 ppm1 8.775 ppm2 1.923 CV 1 ASSI { 1234} (( segid " A" and resid 253 and name HN )) (( segid " A" and resid 253 and name HA1 )) 2.500 0.800 0.800 peak 1234 spectrum 1 weight 0.10000E+01 volume 0.49947E-02 ppm1 8.830 ppm2 4.068 CV 1 ASSI { 1235} (( segid " A" and resid 226 and name HN )) (( segid " A" and resid 226 and name HE2 )) 5.300 3.500 0.700 peak 1235 spectrum 1 weight 0.10000E+01 volume 0.14133E-02 ppm1 8.488 ppm2 2.866 CV 1 OR { 1235} (( segid " A" and resid 226 and name HN )) (( segid " A" and resid 226 and name HE1 )) ASSI { 1236} (( segid " A" and resid 226 and name HN )) (( segid " A" and resid 226 and name HB1 )) 2.300 0.700 0.700 peak 1236 spectrum 1 weight 0.10000E+01 volume 0.11110E-01 ppm1 8.491 ppm2 2.012 CV 1 ASSI { 1237} (( segid " A" and resid 226 and name HN )) (( segid " A" and resid 226 and name HG1 )) 4.200 2.200 1.800 peak 1237 spectrum 1 weight 0.10000E+01 volume 0.15781E-02 ppm1 8.488 ppm2 1.278 CV 1 ASSI { 1238} (( segid " A" and resid 226 and name HN )) (( segid " A" and resid 226 and name HG2 )) 4.100 2.100 1.900 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.21139E-02 ppm1 8.495 ppm2 1.419 CV 1 ASSI { 1239} (( segid " A" and resid 223 and name HN )) (( segid " A" and resid 223 and name HB2 )) 3.500 1.500 1.500 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.14171E-02 ppm1 8.329 ppm2 2.529 CV 1 ASSI { 1240} (( segid " A" and resid 204 and name HN )) (( segid " A" and resid 204 and name HB1 )) 3.300 1.400 1.400 peak 1240 spectrum 1 weight 0.10000E+01 volume 0.65016E-02 ppm1 8.498 ppm2 2.110 CV 1 ASSI { 1241} (( segid " A" and resid 280 and name HN )) (( segid " A" and resid 280 and name HB2 )) 2.500 0.800 0.800 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.48957E-02 ppm1 9.177 ppm2 2.325 CV 1 ASSI { 1242} (( segid " A" and resid 173 and name HN )) (( segid " A" and resid 171 and name HN )) 4.100 2.100 1.900 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.11239E-02 ppm1 8.116 ppm2 7.632 CV 1 ASSI { 1243} (( segid " A" and resid 199 and name HN )) (( segid " A" and resid 197 and name HN )) 3.800 1.800 1.800 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.99116E-03 ppm1 8.665 ppm2 7.174 CV 1 ASSI { 1246} (( segid " A" and resid 202 and name HN )) (( segid " A" and resid 200 and name HN )) 3.700 1.700 1.700 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.14399E-02 ppm1 8.024 ppm2 7.672 CV 1 ASSI { 1248} (( segid " A" and resid 203 and name HN )) (( segid " A" and resid 201 and name HN )) 3.800 1.800 1.800 peak 1248 spectrum 1 weight 0.10000E+01 volume 0.11039E-02 ppm1 7.826 ppm2 8.660 CV 1 ASSI { 1249} (( segid " A" and resid 203 and name HN )) (( segid " A" and resid 205 and name HN )) 3.900 1.900 1.900 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.13793E-02 ppm1 7.819 ppm2 8.239 CV 1 ASSI { 1251} (( segid " A" and resid 204 and name HN )) (( segid " A" and resid 206 and name HN )) 3.700 1.800 1.800 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.12522E-02 ppm1 8.507 ppm2 7.495 CV 1 ASSI { 1252} (( segid " A" and resid 213 and name HN )) ( segid " A" and resid 229 and name HE% ) 4.500 2.600 1.500 peak 1252 spectrum 1 weight 0.10000E+01 volume 0.11293E-02 ppm1 7.711 ppm2 6.831 CV 1 OR { 1252} (( segid " A" and resid 213 and name HN )) ( segid " A" and resid 252 and name HD% ) ASSI { 1253} (( segid " A" and resid 216 and name HN )) (( segid " A" and resid 249 and name HE1 )) 4.400 2.500 1.600 peak 1253 spectrum 1 weight 0.10000E+01 volume 0.11119E-02 ppm1 8.093 ppm2 7.439 CV 1 ASSI { 1254} (( segid " A" and resid 224 and name HN )) (( segid " A" and resid 226 and name HN )) 3.800 1.800 1.800 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.11560E-02 ppm1 7.643 ppm2 8.493 CV 1 ASSI { 1256} (( segid " A" and resid 224 and name HN )) (( segid " A" and resid 222 and name HN )) 4.400 2.400 1.600 peak 1256 spectrum 1 weight 0.10000E+01 volume 0.68671E-03 ppm1 7.646 ppm2 9.227 CV 1 ASSI { 1258} (( segid " A" and resid 227 and name HN )) (( segid " A" and resid 225 and name HN )) 3.800 1.800 1.800 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.15232E-02 ppm1 7.832 ppm2 7.363 CV 1 ASSI { 1259} (( segid " A" and resid 228 and name HN )) (( segid " A" and resid 226 and name HN )) 4.000 2.000 2.000 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.10329E-02 ppm1 7.215 ppm2 8.509 CV 1 ASSI { 1260} (( segid " A" and resid 229 and name HN )) ( segid " A" and resid 229 and name HE% ) 4.500 2.600 1.500 peak 1260 spectrum 1 weight 0.10000E+01 volume 0.15649E-02 ppm1 8.285 ppm2 6.837 CV 1 ASSI { 1261} (( segid " A" and resid 231 and name HN )) ( segid " A" and resid 232 and name HE% ) 4.100 2.100 1.900 peak 1261 spectrum 1 weight 0.10000E+01 volume 0.15781E-02 ppm1 7.101 ppm2 7.385 CV 1 ASSI { 1262} (( segid " A" and resid 282 and name HN )) (( segid " A" and resid 172 and name HE22)) 3.400 1.400 1.400 peak 1262 spectrum 1 weight 0.10000E+01 volume 0.14057E-02 ppm1 8.772 ppm2 6.916 CV 1 ASSI { 1263} (( segid " A" and resid 233 and name HN )) (( segid " A" and resid 257 and name HH )) 3.400 1.400 1.400 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.11654E-02 ppm1 7.632 ppm2 8.817 CV 1 ASSI { 1264} (( segid " A" and resid 249 and name HN )) (( segid " A" and resid 249 and name HD2 )) 3.300 1.400 1.400 peak 1264 spectrum 1 weight 0.10000E+01 volume 0.15991E-02 ppm1 8.517 ppm2 7.082 CV 1 ASSI { 1266} (( segid " A" and resid 250 and name HN )) ( segid " A" and resid 252 and name HE% ) 4.900 3.000 1.100 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.10246E-02 ppm1 8.627 ppm2 6.831 CV 1 OR { 1266} (( segid " A" and resid 250 and name HN )) ( segid " A" and resid 252 and name HD% ) ASSI { 1267} (( segid " A" and resid 258 and name HN )) (( segid " A" and resid 236 and name HN )) 3.900 1.900 1.900 peak 1267 spectrum 1 weight 0.10000E+01 volume 0.13338E-02 ppm1 8.292 ppm2 9.103 CV 1 ASSI { 1268} (( segid " A" and resid 254 and name HN )) (( segid " A" and resid 255 and name HN )) 4.100 2.100 1.900 peak 1268 spectrum 1 weight 0.10000E+01 volume 0.15156E-02 ppm1 7.835 ppm2 8.759 CV 1 ASSI { 1269} (( segid " A" and resid 263 and name HN )) ( segid " A" and resid 257 and name HE% ) 4.600 2.600 1.400 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.11746E-02 ppm1 6.962 ppm2 6.694 CV 1 ASSI { 1270} (( segid " A" and resid 264 and name HN )) (( segid " A" and resid 266 and name HN )) 4.400 2.400 1.600 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.88669E-03 ppm1 7.330 ppm2 7.951 CV 1 ASSI { 1272} (( segid " A" and resid 268 and name HN )) (( segid " A" and resid 269 and name HN )) 2.400 0.700 0.700 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.81995E-02 ppm1 7.662 ppm2 7.529 CV 1 ASSI { 1273} (( segid " A" and resid 270 and name HN )) (( segid " A" and resid 269 and name HN )) 2.300 0.700 0.700 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.92065E-02 ppm1 7.867 ppm2 7.508 CV 1 ASSI { 1274} (( segid " A" and resid 270 and name HN )) ( segid " A" and resid 273 and name HD% ) 4.300 2.400 1.700 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.12069E-02 ppm1 7.871 ppm2 7.102 CV 1 ASSI { 1275} (( segid " A" and resid 271 and name HN )) (( segid " A" and resid 282 and name HN )) 4.900 3.000 1.100 peak 1275 spectrum 1 weight 0.10000E+01 volume 0.98998E-03 ppm1 7.516 ppm2 8.773 CV 1 ASSI { 1276} (( segid " A" and resid 272 and name HN )) (( segid " A" and resid 271 and name HN )) 4.700 2.700 1.300 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.10595E-02 ppm1 9.188 ppm2 7.505 CV 1 ASSI { 1278} (( segid " A" and resid 282 and name HN )) (( segid " A" and resid 272 and name HN )) 3.700 1.700 1.700 peak 1278 spectrum 1 weight 0.10000E+01 volume 0.14550E-02 ppm1 8.773 ppm2 9.186 CV 1 ASSI { 1279} (( segid " A" and resid 274 and name HN )) ( segid " A" and resid 273 and name HE% ) 4.000 2.000 2.000 peak 1279 spectrum 1 weight 0.10000E+01 volume 0.13206E-02 ppm1 7.752 ppm2 7.262 CV 1 ASSI { 1280} (( segid " A" and resid 274 and name HN )) ( segid " A" and resid 279 and name HD% ) 3.500 1.500 1.500 peak 1280 spectrum 1 weight 0.10000E+01 volume 0.15288E-02 ppm1 7.745 ppm2 7.000 CV 1 ASSI { 1281} (( segid " A" and resid 274 and name HN )) ( segid " A" and resid 279 and name HE% ) 3.900 1.900 1.900 peak 1281 spectrum 1 weight 0.10000E+01 volume 0.12541E-02 ppm1 7.743 ppm2 6.794 CV 1 ASSI { 1282} (( segid " A" and resid 275 and name HN )) ( segid " A" and resid 273 and name HD% ) 4.100 2.100 1.900 peak 1282 spectrum 1 weight 0.10000E+01 volume 0.12921E-02 ppm1 8.371 ppm2 7.118 CV 1 ASSI { 1283} (( segid " A" and resid 280 and name HN )) ( segid " A" and resid 279 and name HD% ) 4.300 2.300 1.700 peak 1283 spectrum 1 weight 0.10000E+01 volume 0.13944E-02 ppm1 9.185 ppm2 7.003 CV 1 ASSI { 1284} (( segid " A" and resid 282 and name HN )) (( segid " A" and resid 281 and name HB1 )) 3.100 1.200 1.200 peak 1284 spectrum 1 weight 0.10000E+01 volume 0.50466E-02 ppm1 8.766 ppm2 1.796 CV 1 OR { 1284} (( segid " A" and resid 282 and name HN )) (( segid " A" and resid 281 and name HB2 )) ASSI { 1285} (( segid " A" and resid 277 and name HN )) (( segid " A" and resid 276 and name HA2 )) 2.800 1.000 1.000 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.86712E-02 ppm1 8.387 ppm2 3.658 CV 1 OR { 1285} (( segid " A" and resid 277 and name HN )) (( segid " A" and resid 276 and name HA1 )) ASSI { 1286} (( segid " A" and resid 275 and name HN )) (( segid " A" and resid 274 and name HB1 )) 4.300 2.300 1.700 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.26742E-02 ppm1 8.374 ppm2 2.129 CV 1 ASSI { 1287} (( segid " A" and resid 274 and name HN )) (( segid " A" and resid 273 and name HB2 )) 4.600 2.700 1.400 peak 1287 spectrum 1 weight 0.10000E+01 volume 0.15232E-02 ppm1 7.743 ppm2 3.034 CV 1 ASSI { 1288} (( segid " A" and resid 274 and name HN )) (( segid " A" and resid 273 and name HA )) 2.100 0.500 0.500 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.21401E-01 ppm1 7.746 ppm2 4.379 CV 1 ASSI { 1289} (( segid " A" and resid 266 and name HN )) (( segid " A" and resid 265 and name HB1 )) 3.200 1.300 1.300 peak 1289 spectrum 1 weight 0.10000E+01 volume 0.59333E-02 ppm1 7.957 ppm2 2.772 CV 1 ASSI { 1290} (( segid " A" and resid 264 and name HN )) (( segid " A" and resid 263 and name HB2 )) 3.100 1.200 1.200 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.29030E-02 ppm1 7.327 ppm2 3.747 CV 1 ASSI { 1291} (( segid " A" and resid 263 and name HN )) (( segid " A" and resid 262 and name HA )) 3.600 1.600 1.600 peak 1291 spectrum 1 weight 0.10000E+01 volume 0.18246E-02 ppm1 6.955 ppm2 4.033 CV 1 ASSI { 1292} (( segid " A" and resid 259 and name HN )) (( segid " A" and resid 258 and name HB2 )) 2.500 0.800 0.800 peak 1292 spectrum 1 weight 0.10000E+01 volume 0.49640E-02 ppm1 8.774 ppm2 2.013 CV 1 ASSI { 1293} (( segid " A" and resid 257 and name HN )) (( segid " A" and resid 256 and name HB1 )) 3.100 1.200 1.200 peak 1293 spectrum 1 weight 0.10000E+01 volume 0.26907E-02 ppm1 8.865 ppm2 2.201 CV 1 ASSI { 1294} (( segid " A" and resid 254 and name HN )) (( segid " A" and resid 253 and name HA1 )) 2.300 0.600 0.600 peak 1294 spectrum 1 weight 0.10000E+01 volume 0.10746E-01 ppm1 7.838 ppm2 4.052 CV 1 ASSI { 1295} (( segid " A" and resid 228 and name HN )) (( segid " A" and resid 227 and name HB1 )) 2.700 0.900 0.900 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.73317E-02 ppm1 7.210 ppm2 4.023 CV 1 OR { 1295} (( segid " A" and resid 228 and name HN )) (( segid " A" and resid 227 and name HB2 )) ASSI { 1296} (( segid " A" and resid 227 and name HN )) (( segid " A" and resid 226 and name HB1 )) 2.300 0.700 0.700 peak 1296 spectrum 1 weight 0.10000E+01 volume 0.84660E-02 ppm1 7.835 ppm2 2.013 CV 1 ASSI { 1297} (( segid " A" and resid 220 and name HN )) (( segid " A" and resid 219 and name HA )) 2.800 1.000 1.000 peak 1297 spectrum 1 weight 0.10000E+01 volume 0.50537E-02 ppm1 7.941 ppm2 4.745 CV 1 ASSI { 1298} (( segid " A" and resid 217 and name HN )) (( segid " A" and resid 216 and name HB )) 4.200 2.300 1.800 peak 1298 spectrum 1 weight 0.10000E+01 volume 0.11727E-02 ppm1 9.117 ppm2 1.315 CV 1 ASSI { 1299} (( segid " A" and resid 216 and name HN )) (( segid " A" and resid 215 and name HB1 )) 3.700 1.700 1.700 peak 1299 spectrum 1 weight 0.10000E+01 volume 0.15100E-02 ppm1 8.093 ppm2 4.463 CV 1 ASSI { 1300} (( segid " A" and resid 214 and name HN )) (( segid " A" and resid 213 and name HB )) 2.900 1.100 1.100 peak 1300 spectrum 1 weight 0.10000E+01 volume 0.77161E-02 ppm1 9.001 ppm2 1.285 CV 1 ASSI { 1301} (( segid " A" and resid 211 and name HN )) (( segid " A" and resid 210 and name HB2 )) 3.700 1.800 1.800 peak 1301 spectrum 1 weight 0.10000E+01 volume 0.16048E-02 ppm1 9.532 ppm2 1.896 CV 1 ASSI { 1302} (( segid " A" and resid 211 and name HN )) (( segid " A" and resid 210 and name HB1 )) 3.800 1.800 1.800 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.14380E-02 ppm1 9.528 ppm2 1.660 CV 1 ASSI { 1303} (( segid " A" and resid 205 and name HN )) (( segid " A" and resid 204 and name HB1 )) 3.300 1.400 1.400 peak 1303 spectrum 1 weight 0.10000E+01 volume 0.36599E-02 ppm1 8.245 ppm2 2.102 CV 1 ASSI { 1304} (( segid " A" and resid 200 and name HN )) (( segid " A" and resid 199 and name HB1 )) 2.600 0.800 0.800 peak 1304 spectrum 1 weight 0.10000E+01 volume 0.64945E-02 ppm1 7.669 ppm2 2.719 CV 1 ASSI { 1305} (( segid " A" and resid 217 and name HN )) (( segid " A" and resid 220 and name HG )) 4.200 2.200 1.800 peak 1305 spectrum 1 weight 0.10000E+01 volume 0.12845E-02 ppm1 9.110 ppm2 1.695 CV 1 ASSI { 1306} (( segid " A" and resid 139 and name HN )) (( segid " A" and resid 161 and name HG2 )) 3.900 1.900 1.900 peak 1306 spectrum 1 weight 0.10000E+01 volume 0.12315E-02 ppm1 9.545 ppm2 2.295 CV 1 OR { 1306} (( segid " A" and resid 139 and name HN )) (( segid " A" and resid 161 and name HG1 )) ASSI { 1307} (( segid " A" and resid 139 and name HN )) (( segid " A" and resid 159 and name HG2 )) 3.800 1.800 1.800 peak 1307 spectrum 1 weight 0.10000E+01 volume 0.15574E-02 ppm1 9.544 ppm2 2.058 CV 1 OR { 1307} (( segid " A" and resid 139 and name HN )) (( segid " A" and resid 159 and name HG1 )) OR { 1307} (( segid " A" and resid 139 and name HN )) (( segid " A" and resid 159 and name HB2 )) ASSI { 1308} (( segid " A" and resid 139 and name HN )) (( segid " A" and resid 138 and name HG12)) 4.500 2.500 1.500 peak 1308 spectrum 1 weight 0.10000E+01 volume 0.12657E-02 ppm1 9.546 ppm2 1.928 CV 1 ASSI { 1309} (( segid " A" and resid 133 and name HN )) (( segid " A" and resid 132 and name HB2 )) 3.500 1.500 1.500 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.11916E-02 ppm1 8.674 ppm2 3.550 CV 1 ASSI { 1310} (( segid " A" and resid 133 and name HN )) (( segid " A" and resid 132 and name HB1 )) 3.800 1.800 1.800 peak 1310 spectrum 1 weight 0.10000E+01 volume 0.16010E-02 ppm1 8.668 ppm2 2.871 CV 1 ASSI { 1311} (( segid " A" and resid 133 and name HN )) ( segid " A" and resid 138 and name HG2%) 5.200 3.400 0.800 peak 1311 spectrum 1 weight 0.10000E+01 volume 0.10060E-02 ppm1 8.675 ppm2 0.568 CV 1 OR { 1311} (( segid " A" and resid 133 and name HN )) ( segid " A" and resid 128 and name HG2%) ASSI { 1312} (( segid " A" and resid 235 and name HN )) (( segid " A" and resid 230 and name HG2 )) 3.600 1.700 1.700 peak 1312 spectrum 1 weight 0.10000E+01 volume 0.15991E-02 ppm1 9.133 ppm2 2.565 CV 1 OR { 1312} (( segid " A" and resid 235 and name HN )) (( segid " A" and resid 230 and name HG1 )) ASSI { 1313} (( segid " A" and resid 236 and name HN )) ( segid " A" and resid 257 and name HD% ) 4.000 2.000 2.000 peak 1313 spectrum 1 weight 0.10000E+01 volume 0.12050E-02 ppm1 9.111 ppm2 6.981 CV 1 OR { 1313} (( segid " A" and resid 235 and name HN )) ( segid " A" and resid 257 and name HD% ) ASSI { 1314} (( segid " A" and resid 236 and name HN )) (( segid " A" and resid 258 and name HG2 )) 4.200 2.200 1.800 peak 1314 spectrum 1 weight 0.10000E+01 volume 0.14739E-02 ppm1 9.117 ppm2 2.192 CV 1 OR { 1314} (( segid " A" and resid 236 and name HN )) (( segid " A" and resid 256 and name HB1 )) OR { 1314} (( segid " A" and resid 235 and name HN )) (( segid " A" and resid 258 and name HG2 )) ASSI { 1315} (( segid " A" and resid 142 and name HN )) (( segid " A" and resid 141 and name HB )) 4.300 2.300 1.700 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.11011E-02 ppm1 8.937 ppm2 1.681 CV 1 ASSI { 1316} (( segid " A" and resid 142 and name HN )) ( segid " A" and resid 141 and name HD1%) 5.000 3.100 1.000 peak 1316 spectrum 1 weight 0.10000E+01 volume 0.14607E-02 ppm1 8.947 ppm2 0.763 CV 1 OR { 1316} (( segid " A" and resid 142 and name HN )) ( segid " A" and resid 116 and name HG2%) ASSI { 1317} (( segid " A" and resid 241 and name HN )) ( segid " A" and resid 240 and name HD1%) 4.900 3.000 1.100 peak 1317 spectrum 1 weight 0.10000E+01 volume 0.13034E-02 ppm1 8.462 ppm2 -0.019 CV 1 ASSI { 1318} (( segid " A" and resid 274 and name HN )) (( segid " A" and resid 279 and name HA )) 4.000 2.000 2.000 peak 1318 spectrum 1 weight 0.10000E+01 volume 0.14854E-02 ppm1 7.744 ppm2 4.798 CV 1 ASSI { 1319} (( segid " A" and resid 240 and name HN )) (( segid " A" and resid 222 and name HA )) 4.400 2.500 1.600 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.15423E-02 ppm1 8.645 ppm2 3.759 CV 1 ASSI { 1320} (( segid " A" and resid 240 and name HN )) (( segid " A" and resid 222 and name HB1 )) 3.600 1.600 1.600 peak 1320 spectrum 1 weight 0.10000E+01 volume 0.14418E-02 ppm1 8.644 ppm2 2.624 CV 1 OR { 1320} (( segid " A" and resid 240 and name HN )) (( segid " A" and resid 222 and name HB2 )) ASSI { 1321} (( segid " A" and resid 230 and name HN )) (( segid " A" and resid 226 and name HA )) 4.100 2.100 1.900 peak 1321 spectrum 1 weight 0.10000E+01 volume 0.10529E-02 ppm1 8.771 ppm2 3.717 CV 1 ASSI { 1322} (( segid " A" and resid 178 and name HN )) (( segid " A" and resid 177 and name HG1 )) 3.900 1.900 1.900 peak 1322 spectrum 1 weight 0.10000E+01 volume 0.15251E-02 ppm1 8.566 ppm2 2.315 CV 1 OR { 1322} (( segid " A" and resid 178 and name HN )) (( segid " A" and resid 177 and name HG2 )) ASSI { 1323} (( segid " A" and resid 230 and name HN )) ( segid " A" and resid 228 and name HG1%) 4.000 2.000 2.000 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.13470E-02 ppm1 8.775 ppm2 1.091 CV 1 OR { 1323} (( segid " A" and resid 256 and name HN )) (( segid " A" and resid 211 and name HG11)) OR { 1323} (( segid " A" and resid 256 and name HN )) (( segid " A" and resid 255 and name HG11)) ASSI { 1324} (( segid " A" and resid 256 and name HN )) (( segid " A" and resid 210 and name HG1 )) 3.900 1.900 1.900 peak 1324 spectrum 1 weight 0.10000E+01 volume 0.13982E-02 ppm1 8.795 ppm2 1.500 CV 1 OR { 1324} (( segid " A" and resid 256 and name HN )) (( segid " A" and resid 236 and name HB2 )) ASSI { 1325} (( segid " A" and resid 257 and name HN )) (( segid " A" and resid 235 and name HA )) 4.400 2.500 1.600 peak 1325 spectrum 1 weight 0.10000E+01 volume 0.15024E-02 ppm1 8.851 ppm2 4.042 CV 1 OR { 1325} (( segid " A" and resid 257 and name HN )) (( segid " A" and resid 262 and name HA )) ASSI { 1326} (( segid " A" and resid 257 and name HN )) (( segid " A" and resid 236 and name HB2 )) 3.900 1.900 1.900 peak 1326 spectrum 1 weight 0.10000E+01 volume 0.14892E-02 ppm1 8.853 ppm2 1.475 CV 1 OR { 1326} (( segid " A" and resid 115 and name HN )) (( segid " A" and resid 158 and name HB )) OR { 1326} (( segid " A" and resid 257 and name HN )) ( segid " A" and resid 260 and name HB% ) ASSI { 1327} (( segid " A" and resid 115 and name HN )) ( segid " A" and resid 170 and name HD1%) 5.000 3.100 1.000 peak 1327 spectrum 1 weight 0.10000E+01 volume 0.11105E-02 ppm1 8.841 ppm2 0.829 CV 1 ASSI { 1328} (( segid " A" and resid 212 and name HN )) ( segid " A" and resid 285 and name HB% ) 4.200 2.200 1.800 peak 1328 spectrum 1 weight 0.10000E+01 volume 0.11145E-02 ppm1 9.180 ppm2 1.541 CV 1 ASSI { 1329} (( segid " A" and resid 212 and name HN )) (( segid " A" and resid 211 and name HG12)) 4.400 2.400 1.600 peak 1329 spectrum 1 weight 0.10000E+01 volume 0.14418E-02 ppm1 9.186 ppm2 1.282 CV 1 ASSI { 1330} (( segid " A" and resid 158 and name HN )) ( segid " A" and resid 157 and name HD% ) 4.500 2.500 1.500 peak 1330 spectrum 1 weight 0.10000E+01 volume 0.11293E-02 ppm1 8.920 ppm2 7.219 CV 1 ASSI { 1331} (( segid " A" and resid 158 and name HN )) (( segid " A" and resid 114 and name HB )) 4.500 2.500 1.500 peak 1331 spectrum 1 weight 0.10000E+01 volume 0.14305E-02 ppm1 8.912 ppm2 2.119 CV 1 ASSI { 1332} (( segid " A" and resid 213 and name HN )) (( segid " A" and resid 252 and name HA )) 4.300 2.300 1.700 peak 1332 spectrum 1 weight 0.10000E+01 volume 0.12183E-02 ppm1 7.719 ppm2 5.651 CV 1 ASSI { 1333} (( segid " A" and resid 213 and name HN )) (( segid " A" and resid 214 and name HA )) 4.100 2.100 1.900 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.12032E-02 ppm1 7.716 ppm2 5.102 CV 1 OR { 1333} (( segid " A" and resid 213 and name HN )) (( segid " A" and resid 211 and name HA )) ASSI { 1334} (( segid " A" and resid 213 and name HN )) (( segid " A" and resid 253 and name HA1 )) 3.900 1.900 1.900 peak 1334 spectrum 1 weight 0.10000E+01 volume 0.10355E-02 ppm1 7.712 ppm2 4.081 CV 1 ASSI { 1335} (( segid " A" and resid 213 and name HN )) (( segid " A" and resid 254 and name HB1 )) 4.500 2.600 1.500 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.15725E-02 ppm1 7.712 ppm2 2.782 CV 1 OR { 1335} (( segid " A" and resid 213 and name HN )) (( segid " A" and resid 252 and name HB1 )) OR { 1335} (( segid " A" and resid 213 and name HN )) (( segid " A" and resid 254 and name HB2 )) ASSI { 1336} (( segid " A" and resid 280 and name HN )) (( segid " A" and resid 273 and name HB1 )) 3.900 1.900 1.900 peak 1336 spectrum 1 weight 0.10000E+01 volume 0.13564E-02 ppm1 9.180 ppm2 3.166 CV 1 OR { 1336} (( segid " A" and resid 272 and name HN )) (( segid " A" and resid 273 and name HB1 )) OR { 1336} (( segid " A" and resid 272 and name HN )) (( segid " A" and resid 281 and name HD2 )) ASSI { 1337} (( segid " A" and resid 143 and name HN )) (( segid " A" and resid 142 and name HB1 )) 4.600 2.700 1.400 peak 1337 spectrum 1 weight 0.10000E+01 volume 0.96592E-03 ppm1 8.606 ppm2 2.842 CV 1 ASSI { 1338} (( segid " A" and resid 143 and name HN )) (( segid " A" and resid 142 and name HB2 )) 5.000 3.100 1.000 peak 1338 spectrum 1 weight 0.10000E+01 volume 0.96993E-03 ppm1 8.611 ppm2 2.664 CV 1 ASSI { 1339} (( segid " A" and resid 280 and name HN )) (( segid " A" and resid 273 and name HB1 )) 3.600 1.600 1.600 peak 1339 spectrum 1 weight 0.10000E+01 volume 0.15251E-02 ppm1 9.190 ppm2 3.187 CV 1 OR { 1339} (( segid " A" and resid 272 and name HN )) (( segid " A" and resid 281 and name HD1 )) OR { 1339} (( segid " A" and resid 272 and name HN )) (( segid " A" and resid 273 and name HB1 )) ASSI { 1340} (( segid " A" and resid 243 and name HN )) (( segid " A" and resid 249 and name HB2 )) 4.900 3.000 1.100 peak 1340 spectrum 1 weight 0.10000E+01 volume 0.12902E-02 ppm1 8.456 ppm2 2.639 CV 1 ASSI { 1341} (( segid " A" and resid 272 and name HN )) (( segid " A" and resid 282 and name HB )) 4.300 2.300 1.700 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.14343E-02 ppm1 9.191 ppm2 1.833 CV 1 ASSI { 1342} (( segid " A" and resid 226 and name HN )) (( segid " A" and resid 225 and name HG11)) 4.800 2.900 1.200 peak 1342 spectrum 1 weight 0.10000E+01 volume 0.14739E-02 ppm1 8.491 ppm2 1.082 CV 1 ASSI { 1343} (( segid " A" and resid 226 and name HN )) (( segid " A" and resid 227 and name HA )) 4.600 2.700 1.400 peak 1343 spectrum 1 weight 0.10000E+01 volume 0.10919E-02 ppm1 8.482 ppm2 4.255 CV 1 OR { 1343} (( segid " A" and resid 243 and name HN )) (( segid " A" and resid 245 and name HA )) ASSI { 1344} (( segid " A" and resid 226 and name HN )) (( segid " A" and resid 223 and name HB1 )) 4.000 2.000 2.000 peak 1344 spectrum 1 weight 0.10000E+01 volume 0.14343E-02 ppm1 8.487 ppm2 2.662 CV 1 ASSI { 1345} (( segid " A" and resid 177 and name HN )) (( segid " A" and resid 182 and name HA )) 4.400 2.400 1.600 peak 1345 spectrum 1 weight 0.10000E+01 volume 0.11265E-02 ppm1 8.282 ppm2 4.861 CV 1 ASSI { 1346} (( segid " A" and resid 198 and name HN )) (( segid " A" and resid 199 and name HA )) 4.700 2.800 1.300 peak 1346 spectrum 1 weight 0.10000E+01 volume 0.10409E-02 ppm1 7.977 ppm2 4.425 CV 1 ASSI { 1347} (( segid " A" and resid 198 and name HN )) (( segid " A" and resid 196 and name HB2 )) 4.000 2.000 2.000 peak 1347 spectrum 1 weight 0.10000E+01 volume 0.12107E-02 ppm1 7.987 ppm2 2.407 CV 1 ASSI { 1348} (( segid " A" and resid 255 and name HN )) ( segid " A" and resid 285 and name HB% ) 3.200 1.300 1.300 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.11225E-02 ppm1 8.748 ppm2 1.541 CV 1 OR { 1348} (( segid " A" and resid 255 and name HN )) (( segid " A" and resid 284 and name HG2 )) ASSI { 1349} (( segid " A" and resid 255 and name HN )) ( segid " A" and resid 211 and name HD1%) 4.600 2.600 1.400 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.12789E-02 ppm1 8.747 ppm2 0.778 CV 1 ASSI { 1350} (( segid " A" and resid 266 and name HN )) (( segid " A" and resid 270 and name HG2 )) 4.900 3.000 1.100 peak 1350 spectrum 1 weight 0.10000E+01 volume 0.11199E-02 ppm1 7.953 ppm2 1.892 CV 1 ASSI { 1351} (( segid " A" and resid 164 and name HN )) (( segid " A" and resid 164 and name HG1 )) 3.900 1.900 1.900 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.15213E-02 ppm1 9.464 ppm2 2.656 CV 1 ASSI { 1352} (( segid " A" and resid 200 and name HN )) (( segid " A" and resid 198 and name HB )) 4.100 2.100 1.900 peak 1352 spectrum 1 weight 0.10000E+01 volume 0.15043E-02 ppm1 7.665 ppm2 2.021 CV 1 ASSI { 1353} (( segid " A" and resid 200 and name HN )) (( segid " A" and resid 201 and name HG )) 4.500 2.600 1.500 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.11803E-02 ppm1 7.668 ppm2 1.880 CV 1 ASSI { 1354} (( segid " A" and resid 200 and name HN )) ( segid " A" and resid 202 and name HB% ) 4.400 2.400 1.600 peak 1354 spectrum 1 weight 0.10000E+01 volume 0.10581E-02 ppm1 7.667 ppm2 1.597 CV 1 ASSI { 1355} (( segid " A" and resid 164 and name HN )) ( segid " A" and resid 166 and name HB% ) 4.200 2.300 1.800 peak 1355 spectrum 1 weight 0.10000E+01 volume 0.98597E-03 ppm1 9.456 ppm2 1.504 CV 1 ASSI { 1356} (( segid " A" and resid 200 and name HN )) ( segid " A" and resid 197 and name HG2%) 4.300 2.300 1.700 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.12315E-02 ppm1 7.664 ppm2 0.909 CV 1 ASSI { 1357} (( segid " A" and resid 156 and name HN )) ( segid " A" and resid 116 and name HG2%) 3.500 1.500 1.500 peak 1357 spectrum 1 weight 0.10000E+01 volume 0.13319E-02 ppm1 9.100 ppm2 0.744 CV 1 ASSI { 1358} (( segid " A" and resid 282 and name HN )) (( segid " A" and resid 213 and name HA )) 4.300 2.300 1.700 peak 1358 spectrum 1 weight 0.10000E+01 volume 0.10555E-02 ppm1 8.776 ppm2 4.605 CV 1 OR { 1358} (( segid " A" and resid 282 and name HN )) (( segid " A" and resid 283 and name HA1 )) ASSI { 1359} (( segid " A" and resid 282 and name HN )) (( segid " A" and resid 271 and name HB1 )) 5.100 3.300 0.900 peak 1359 spectrum 1 weight 0.10000E+01 volume 0.10744E-02 ppm1 8.774 ppm2 2.882 CV 1 ASSI { 1360} (( segid " A" and resid 185 and name HN )) (( segid " A" and resid 174 and name HB2 )) 3.100 3.100 2.900 peak 1360 spectrum 1 weight 0.10000E+01 volume 0.10836E-02 ppm1 8.617 ppm2 2.978 CV 1 ASSI { 1361} (( segid " A" and resid 185 and name HN )) (( segid " A" and resid 184 and name HG1 )) 4.200 2.200 1.800 peak 1361 spectrum 1 weight 0.10000E+01 volume 0.15593E-02 ppm1 8.608 ppm2 1.469 CV 1 ASSI { 1362} (( segid " A" and resid 128 and name HN )) (( segid " A" and resid 127 and name HA )) 3.600 1.600 1.600 peak 1362 spectrum 1 weight 0.10000E+01 volume 0.13888E-02 ppm1 7.457 ppm2 4.020 CV 1 ASSI { 1363} (( segid " A" and resid 231 and name HN )) (( segid " A" and resid 230 and name HG1 )) 4.200 2.200 1.800 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.16255E-02 ppm1 7.105 ppm2 2.580 CV 1 OR { 1363} (( segid " A" and resid 231 and name HN )) (( segid " A" and resid 230 and name HG2 )) ASSI { 1364} (( segid " A" and resid 239 and name HN )) (( segid " A" and resid 255 and name HG11)) 4.200 2.200 1.800 peak 1364 spectrum 1 weight 0.10000E+01 volume 0.14701E-02 ppm1 8.177 ppm2 1.059 CV 1 ASSI { 1365} (( segid " A" and resid 239 and name HN )) ( segid " A" and resid 255 and name HG2%) 5.000 3.100 1.000 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.11992E-02 ppm1 8.177 ppm2 0.256 CV 1 ASSI { 1366} (( segid " A" and resid 169 and name HN )) (( segid " A" and resid 135 and name HB2 )) 4.100 2.100 1.900 peak 1366 spectrum 1 weight 0.10000E+01 volume 0.13300E-02 ppm1 7.745 ppm2 2.643 CV 1 ASSI { 1367} (( segid " A" and resid 248 and name HN )) (( segid " A" and resid 249 and name HB2 )) 4.800 2.900 1.200 peak 1367 spectrum 1 weight 0.10000E+01 volume 0.10409E-02 ppm1 7.941 ppm2 2.623 CV 1 OR { 1367} (( segid " A" and resid 220 and name HN )) (( segid " A" and resid 249 and name HB2 )) ASSI { 1368} (( segid " A" and resid 273 and name HN )) (( segid " A" and resid 279 and name HB1 )) 3.800 1.800 1.800 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.15043E-02 ppm1 7.724 ppm2 2.586 CV 1 ASSI { 1369} (( segid " A" and resid 148 and name HN )) (( segid " A" and resid 148 and name HB )) 4.000 2.000 2.000 peak 1369 spectrum 1 weight 0.10000E+01 volume 0.88009E-03 ppm1 8.342 ppm2 2.264 CV 1 ASSI { 1370} (( segid " A" and resid 265 and name HN )) ( segid " A" and resid 266 and name HB% ) 4.400 2.400 1.600 peak 1370 spectrum 1 weight 0.10000E+01 volume 0.15743E-02 ppm1 8.226 ppm2 1.363 CV 1 ASSI { 1371} (( segid " A" and resid 264 and name HN )) ( segid " A" and resid 211 and name HG2%) 4.200 2.200 1.800 peak 1371 spectrum 1 weight 0.10000E+01 volume 0.11293E-02 ppm1 7.330 ppm2 1.011 CV 1 OR { 1371} (( segid " A" and resid 264 and name HN )) ( segid " A" and resid 267 and name HG2%) ASSI { 1372} (( segid " A" and resid 273 and name HN )) ( segid " A" and resid 272 and name HD1%) 4.600 2.700 1.400 peak 1372 spectrum 1 weight 0.10000E+01 volume 0.15574E-02 ppm1 7.730 ppm2 0.829 CV 1 OR { 1372} (( segid " A" and resid 169 and name HN )) ( segid " A" and resid 170 and name HD2%) OR { 1372} (( segid " A" and resid 169 and name HN )) ( segid " A" and resid 170 and name HD1%) ASSI { 1373} (( segid " A" and resid 273 and name HN )) ( segid " A" and resid 270 and name HE% ) 4.400 2.500 1.600 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.13395E-02 ppm1 7.723 ppm2 0.636 CV 1 ASSI { 1374} (( segid " A" and resid 202 and name HN )) (( segid " A" and resid 198 and name HA )) 3.600 1.600 1.600 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.13470E-02 ppm1 8.026 ppm2 3.577 CV 1 ASSI { 1375} (( segid " A" and resid 202 and name HN )) ( segid " A" and resid 205 and name HB% ) 4.300 2.300 1.700 peak 1375 spectrum 1 weight 0.10000E+01 volume 0.14645E-02 ppm1 8.020 ppm2 1.160 CV 1 ASSI { 1376} (( segid " A" and resid 202 and name HN )) ( segid " A" and resid 198 and name HG2%) 2.900 2.900 3.100 peak 1376 spectrum 1 weight 0.10000E+01 volume 0.16104E-02 ppm1 8.022 ppm2 0.950 CV 1 ASSI { 1377} (( segid " A" and resid 176 and name HN )) (( segid " A" and resid 182 and name HA )) 4.700 2.700 1.300 peak 1377 spectrum 1 weight 0.10000E+01 volume 0.11305E-02 ppm1 7.412 ppm2 4.856 CV 1 ASSI { 1378} (( segid " A" and resid 224 and name HN )) (( segid " A" and resid 221 and name HB2 )) 3.800 1.800 1.800 peak 1378 spectrum 1 weight 0.10000E+01 volume 0.13109E-02 ppm1 7.645 ppm2 4.229 CV 1 ASSI { 1379} (( segid " A" and resid 129 and name HN )) (( segid " A" and resid 127 and name HA )) 3.800 1.800 1.800 peak 1379 spectrum 1 weight 0.10000E+01 volume 0.14267E-02 ppm1 8.908 ppm2 4.036 CV 1 ASSI { 1380} (( segid " A" and resid 224 and name HN )) (( segid " A" and resid 226 and name HB1 )) 4.200 2.200 1.800 peak 1380 spectrum 1 weight 0.10000E+01 volume 0.11803E-02 ppm1 7.641 ppm2 2.004 CV 1 OR { 1380} (( segid " A" and resid 224 and name HN )) (( segid " A" and resid 220 and name HB1 )) ASSI { 1381} (( segid " A" and resid 224 and name HN )) (( segid " A" and resid 225 and name HB )) 4.500 2.600 1.500 peak 1381 spectrum 1 weight 0.10000E+01 volume 0.11480E-02 ppm1 7.639 ppm2 1.911 CV 1 ASSI { 1382} (( segid " A" and resid 224 and name HN )) (( segid " A" and resid 225 and name HG12)) 4.400 2.400 1.600 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.11319E-02 ppm1 7.643 ppm2 1.520 CV 1 ASSI { 1383} (( segid " A" and resid 224 and name HN )) (( segid " A" and resid 220 and name HB2 )) 4.700 2.700 1.300 peak 1383 spectrum 1 weight 0.10000E+01 volume 0.14854E-02 ppm1 7.642 ppm2 1.298 CV 1 OR { 1383} (( segid " A" and resid 224 and name HN )) (( segid " A" and resid 226 and name HG1 )) ASSI { 1384} (( segid " A" and resid 224 and name HN )) ( segid " A" and resid 220 and name HD1%) 4.700 2.700 1.300 peak 1384 spectrum 1 weight 0.10000E+01 volume 0.14986E-02 ppm1 7.644 ppm2 0.821 CV 1 ASSI { 1385} (( segid " A" and resid 125 and name HN )) (( segid " A" and resid 124 and name HA1 )) 3.900 1.900 1.900 peak 1385 spectrum 1 weight 0.10000E+01 volume 0.97253E-03 ppm1 8.932 ppm2 3.947 CV 1 ASSI { 1386} (( segid " A" and resid 113 and name HN )) (( segid " A" and resid 111 and name HA )) 3.500 1.500 1.500 peak 1386 spectrum 1 weight 0.10000E+01 volume 0.14760E-02 ppm1 7.445 ppm2 3.920 CV 1 ASSI { 1387} (( segid " A" and resid 125 and name HN )) (( segid " A" and resid 125 and name HB1 )) 3.500 1.500 1.500 peak 1387 spectrum 1 weight 0.10000E+01 volume 0.13357E-02 ppm1 8.936 ppm2 2.233 CV 1 ASSI { 1388} (( segid " A" and resid 203 and name HN )) (( segid " A" and resid 204 and name HG2 )) 4.500 2.500 1.500 peak 1388 spectrum 1 weight 0.10000E+01 volume 0.15781E-02 ppm1 7.824 ppm2 2.693 CV 1 ASSI { 1389} (( segid " A" and resid 199 and name HN )) (( segid " A" and resid 198 and name HG12)) 4.700 2.700 1.300 peak 1389 spectrum 1 weight 0.10000E+01 volume 0.14076E-02 ppm1 8.665 ppm2 1.648 CV 1 ASSI { 1390} (( segid " A" and resid 203 and name HN )) ( segid " A" and resid 205 and name HB% ) 4.400 2.500 1.600 peak 1390 spectrum 1 weight 0.10000E+01 volume 0.11822E-02 ppm1 7.818 ppm2 1.185 CV 1 OR { 1390} (( segid " A" and resid 123 and name HN )) (( segid " A" and resid 119 and name HB )) ASSI { 1391} (( segid " A" and resid 258 and name HN )) (( segid " A" and resid 235 and name HB )) 3.000 3.000 3.000 peak 1391 spectrum 1 weight 0.10000E+01 volume 0.14550E-02 ppm1 8.284 ppm2 1.655 CV 1 ASSI { 1392} (( segid " A" and resid 258 and name HN )) (( segid " A" and resid 236 and name HB2 )) 3.000 1.200 1.200 peak 1392 spectrum 1 weight 0.10000E+01 volume 0.14095E-02 ppm1 8.287 ppm2 1.513 CV 1 ASSI { 1393} (( segid " A" and resid 281 and name HN )) (( segid " A" and resid 281 and name HD1 )) 4.200 2.200 1.800 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.10624E-02 ppm1 7.765 ppm2 3.204 CV 1 ASSI { 1394} (( segid " A" and resid 281 and name HN )) (( segid " A" and resid 281 and name HD2 )) 4.900 2.900 1.100 peak 1394 spectrum 1 weight 0.10000E+01 volume 0.10515E-02 ppm1 7.777 ppm2 3.145 CV 1 ASSI { 1395} (( segid " A" and resid 205 and name HN )) (( segid " A" and resid 206 and name HA )) 4.600 2.600 1.400 peak 1395 spectrum 1 weight 0.10000E+01 volume 0.14076E-02 ppm1 8.246 ppm2 4.211 CV 1 ASSI { 1396} (( segid " A" and resid 205 and name HN )) (( segid " A" and resid 204 and name HG2 )) 4.800 2.900 1.200 peak 1396 spectrum 1 weight 0.10000E+01 volume 0.13793E-02 ppm1 8.242 ppm2 2.693 CV 1 ASSI { 1397} (( segid " A" and resid 205 and name HN )) ( segid " A" and resid 201 and name HD2%) 4.600 2.700 1.400 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.14930E-02 ppm1 8.247 ppm2 0.835 CV 1 OR { 1397} (( segid " A" and resid 205 and name HN )) ( segid " A" and resid 201 and name HD1%) ASSI { 1398} (( segid " A" and resid 284 and name HN )) ( segid " A" and resid 286 and name HG1%) 3.600 1.600 1.600 peak 1398 spectrum 1 weight 0.10000E+01 volume 0.15328E-02 ppm1 8.626 ppm2 0.812 CV 1 ASSI { 1399} (( segid " A" and resid 131 and name HN )) (( segid " A" and resid 130 and name HG1 )) 4.300 2.400 1.700 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.14324E-02 ppm1 7.765 ppm2 2.443 CV 1 ASSI { 1400} (( segid " A" and resid 165 and name HN )) (( segid " A" and resid 163 and name HA )) 3.600 1.600 1.600 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.15878E-02 ppm1 6.354 ppm2 4.164 CV 1 ASSI { 1401} (( segid " A" and resid 207 and name HN )) (( segid " A" and resid 205 and name HA )) 3.900 1.900 1.900 peak 1401 spectrum 1 weight 0.10000E+01 volume 0.11414E-02 ppm1 7.328 ppm2 3.897 CV 1 ASSI { 1402} (( segid " A" and resid 165 and name HN )) (( segid " A" and resid 212 and name HB1 )) 4.500 2.500 1.500 peak 1402 spectrum 1 weight 0.10000E+01 volume 0.13357E-02 ppm1 6.360 ppm2 2.343 CV 1 OR { 1402} (( segid " A" and resid 165 and name HN )) (( segid " A" and resid 167 and name HG2 )) ASSI { 1403} (( segid " A" and resid 207 and name HN )) (( segid " A" and resid 206 and name HG2 )) 5.000 3.100 1.000 peak 1403 spectrum 1 weight 0.10000E+01 volume 0.12845E-02 ppm1 7.331 ppm2 1.784 CV 1 ASSI { 1404} (( segid " A" and resid 216 and name HN )) (( segid " A" and resid 225 and name HG11)) 4.900 3.000 1.100 peak 1404 spectrum 1 weight 0.10000E+01 volume 0.10154E-02 ppm1 8.094 ppm2 1.052 CV 1 OR { 1404} (( segid " A" and resid 216 and name HN )) (( segid " A" and resid 281 and name HG2 )) OR { 1404} (( segid " A" and resid 216 and name HN )) ( segid " A" and resid 168 and name HD2%) ASSI { 1405} (( segid " A" and resid 165 and name HN )) ( segid " A" and resid 168 and name HD1%) 4.900 3.000 1.100 peak 1405 spectrum 1 weight 0.10000E+01 volume 0.10704E-02 ppm1 6.348 ppm2 0.910 CV 1 ASSI { 1406} (( segid " A" and resid 216 and name HN )) ( segid " A" and resid 280 and name HD2%) 4.100 2.100 1.900 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.13206E-02 ppm1 8.095 ppm2 0.902 CV 1 ASSI { 1407} (( segid " A" and resid 216 and name HN )) ( segid " A" and resid 240 and name HD2%) 5.200 3.300 0.800 peak 1407 spectrum 1 weight 0.10000E+01 volume 0.12201E-02 ppm1 8.085 ppm2 0.128 CV 1 ASSI { 1409} (( segid " A" and resid 110 and name HN )) (( segid " A" and resid 111 and name HG1 )) 4.600 2.600 1.400 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.10810E-02 ppm1 7.599 ppm2 2.639 CV 1 OR { 1409} (( segid " A" and resid 110 and name HN )) (( segid " A" and resid 111 and name HG2 )) ASSI { 1410} (( segid " A" and resid 165 and name HN )) (( segid " A" and resid 162 and name HB )) 4.300 2.300 1.700 peak 1410 spectrum 1 weight 0.10000E+01 volume 0.13621E-02 ppm1 6.355 ppm2 2.206 CV 1 ASSI { 1411} (( segid " A" and resid 222 and name HN )) (( segid " A" and resid 240 and name HG )) 3.700 1.700 1.700 peak 1411 spectrum 1 weight 0.10000E+01 volume 0.13602E-02 ppm1 9.207 ppm2 1.187 CV 1 ASSI { 1412} (( segid " A" and resid 222 and name HN )) ( segid " A" and resid 240 and name HD2%) 5.000 3.200 1.000 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.11305E-02 ppm1 9.210 ppm2 0.119 CV 1 ASSI { 1413} (( segid " A" and resid 250 and name HN )) (( segid " A" and resid 242 and name HD1 )) 3.100 3.100 2.900 peak 1413 spectrum 1 weight 0.10000E+01 volume 0.11765E-02 ppm1 8.627 ppm2 2.988 CV 1 OR { 1413} (( segid " A" and resid 250 and name HN )) (( segid " A" and resid 248 and name HE1 )) ASSI { 1414} (( segid " A" and resid 250 and name HN )) (( segid " A" and resid 250 and name HD2 )) 4.500 2.600 1.500 peak 1414 spectrum 1 weight 0.10000E+01 volume 0.12826E-02 ppm1 8.624 ppm2 1.833 CV 1 ASSI { 1415} (( segid " A" and resid 183 and name HN )) (( segid " A" and resid 177 and name HB2 )) 5.000 3.100 1.000 peak 1415 spectrum 1 weight 0.10000E+01 volume 0.10636E-02 ppm1 8.359 ppm2 1.824 CV 1 ASSI { 1416} (( segid " A" and resid 250 and name HN )) (( segid " A" and resid 242 and name HB1 )) 4.400 2.400 1.600 peak 1416 spectrum 1 weight 0.10000E+01 volume 0.12864E-02 ppm1 8.632 ppm2 1.627 CV 1 OR { 1416} (( segid " A" and resid 250 and name HN )) (( segid " A" and resid 242 and name HG1 )) ASSI { 1417} (( segid " A" and resid 127 and name HN )) (( segid " A" and resid 127 and name HB )) 3.300 1.400 1.400 peak 1417 spectrum 1 weight 0.10000E+01 volume 0.15137E-02 ppm1 7.650 ppm2 4.195 CV 1 ASSI { 1418} (( segid " A" and resid 127 and name HN )) (( segid " A" and resid 127 and name HA )) 3.700 1.700 1.700 peak 1418 spectrum 1 weight 0.10000E+01 volume 0.92159E-03 ppm1 7.652 ppm2 4.030 CV 1 ASSI { 1419} (( segid " A" and resid 127 and name HN )) ( segid " A" and resid 127 and name HG2%) 5.000 3.100 1.000 peak 1419 spectrum 1 weight 0.10000E+01 volume 0.83575E-03 ppm1 7.662 ppm2 1.369 CV 1 ASSI { 1420} (( segid " A" and resid 114 and name HN )) ( segid " A" and resid 158 and name HG2%) 4.600 2.700 1.400 peak 1420 spectrum 1 weight 0.10000E+01 volume 0.13395E-02 ppm1 9.122 ppm2 0.067 CV 1 ASSI { 1421} (( segid " A" and resid 225 and name HN )) (( segid " A" and resid 220 and name HB2 )) 4.900 3.000 1.100 peak 1421 spectrum 1 weight 0.10000E+01 volume 0.11400E-02 ppm1 7.371 ppm2 1.300 CV 1 OR { 1421} (( segid " A" and resid 225 and name HN )) (( segid " A" and resid 226 and name HG1 )) OR { 1421} (( segid " A" and resid 225 and name HN )) (( segid " A" and resid 216 and name HB )) ASSI { 1422} (( segid " A" and resid 225 and name HN )) ( segid " A" and resid 220 and name HD1%) 4.600 2.600 1.400 peak 1422 spectrum 1 weight 0.10000E+01 volume 0.12371E-02 ppm1 7.370 ppm2 0.809 CV 1 OR { 1422} (( segid " A" and resid 225 and name HN )) (( segid " A" and resid 240 and name HB1 )) ASSI { 1423} (( segid " A" and resid 170 and name HN )) (( segid " A" and resid 168 and name HA )) 4.000 2.000 2.000 peak 1423 spectrum 1 weight 0.10000E+01 volume 0.14267E-02 ppm1 8.020 ppm2 4.051 CV 1 ASSI { 1424} (( segid " A" and resid 229 and name HN )) (( segid " A" and resid 230 and name HB1 )) 4.500 2.500 1.500 peak 1424 spectrum 1 weight 0.10000E+01 volume 0.11916E-02 ppm1 8.284 ppm2 2.312 CV 1 ASSI { 1425} (( segid " A" and resid 170 and name HN )) (( segid " A" and resid 171 and name HB1 )) 5.200 3.400 0.800 peak 1425 spectrum 1 weight 0.10000E+01 volume 0.13640E-02 ppm1 8.019 ppm2 2.211 CV 1 ASSI { 1426} (( segid " A" and resid 166 and name HN )) (( segid " A" and resid 168 and name HG )) 4.400 2.400 1.600 peak 1426 spectrum 1 weight 0.10000E+01 volume 0.11225E-02 ppm1 5.961 ppm2 1.930 CV 1 ASSI { 1427} (( segid " A" and resid 229 and name HN )) ( segid " A" and resid 266 and name HB% ) 5.800 4.200 0.200 peak 1427 spectrum 1 weight 0.10000E+01 volume 0.10166E-02 ppm1 8.284 ppm2 1.356 CV 1 ASSI { 1428} (( segid " A" and resid 166 and name HN )) ( segid " A" and resid 114 and name HG1%) 4.500 2.500 1.500 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.14836E-02 ppm1 5.958 ppm2 0.925 CV 1 OR { 1428} (( segid " A" and resid 166 and name HN )) ( segid " A" and resid 168 and name HD1%) OR { 1428} (( segid " A" and resid 166 and name HN )) ( segid " A" and resid 114 and name HG2%) ASSI { 1429} (( segid " A" and resid 168 and name HN )) (( segid " A" and resid 135 and name HB2 )) 4.800 2.900 1.200 peak 1429 spectrum 1 weight 0.10000E+01 volume 0.10395E-02 ppm1 7.493 ppm2 2.655 CV 1 OR { 1429} (( segid " A" and resid 168 and name HN )) (( segid " A" and resid 171 and name HG2 )) ASSI { 1430} (( segid " A" and resid 197 and name HN )) (( segid " A" and resid 196 and name HD2 )) 3.100 1.200 1.200 peak 1430 spectrum 1 weight 0.10000E+01 volume 0.13149E-02 ppm1 7.176 ppm2 3.709 CV 1 ASSI { 1431} (( segid " A" and resid 197 and name HN )) (( segid " A" and resid 200 and name HB2 )) 4.300 2.300 1.700 peak 1431 spectrum 1 weight 0.10000E+01 volume 0.11119E-02 ppm1 7.171 ppm2 2.231 CV 1 ASSI { 1432} (( segid " A" and resid 197 and name HN )) (( segid " A" and resid 198 and name HG12)) 5.000 3.100 1.000 peak 1432 spectrum 1 weight 0.10000E+01 volume 0.13225E-02 ppm1 7.178 ppm2 1.659 CV 1 ASSI { 1434} (( segid " A" and resid 267 and name HN )) (( segid " A" and resid 263 and name HA )) 3.700 1.700 1.700 peak 1434 spectrum 1 weight 0.10000E+01 volume 0.11199E-02 ppm1 7.573 ppm2 3.754 CV 1 ASSI { 1435} (( segid " A" and resid 267 and name HN )) (( segid " A" and resid 284 and name HG2 )) 5.100 3.200 0.900 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.10435E-02 ppm1 7.581 ppm2 1.575 CV 1 OR { 1435} (( segid " A" and resid 267 and name HN )) (( segid " A" and resid 284 and name HG1 )) ASSI { 1436} (( segid " A" and resid 267 and name HN )) ( segid " A" and resid 211 and name HD1%) 3.800 1.800 1.800 peak 1436 spectrum 1 weight 0.10000E+01 volume 0.13718E-02 ppm1 7.574 ppm2 0.782 CV 1 ASSI { 1437} (( segid " A" and resid 221 and name HN )) (( segid " A" and resid 220 and name HG )) 4.200 2.300 1.800 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.12466E-02 ppm1 9.493 ppm2 1.687 CV 1 ASSI { 1438} (( segid " A" and resid 174 and name HN )) ( segid " A" and resid 185 and name HG2%) 4.100 2.100 1.900 peak 1438 spectrum 1 weight 0.10000E+01 volume 0.12010E-02 ppm1 7.235 ppm2 1.030 CV 1 OR { 1438} (( segid " A" and resid 174 and name HN )) ( segid " A" and resid 185 and name HG1%) ASSI { 1439} (( segid " A" and resid 221 and name HN )) (( segid " A" and resid 224 and name HA )) 4.600 2.600 1.400 peak 1439 spectrum 1 weight 0.10000E+01 volume 0.14437E-02 ppm1 9.491 ppm2 4.439 CV 1 ASSI { 1440} (( segid " A" and resid 157 and name HN )) (( segid " A" and resid 142 and name HB2 )) 3.600 1.600 1.600 peak 1440 spectrum 1 weight 0.10000E+01 volume 0.11897E-02 ppm1 8.486 ppm2 2.647 CV 1 ASSI { 1441} (( segid " A" and resid 167 and name HN )) ( segid " A" and resid 168 and name HD1%) 4.600 2.600 1.400 peak 1441 spectrum 1 weight 0.10000E+01 volume 0.11841E-02 ppm1 7.392 ppm2 0.937 CV 1 OR { 1441} (( segid " A" and resid 167 and name HN )) ( segid " A" and resid 114 and name HG2%) OR { 1441} (( segid " A" and resid 167 and name HN )) ( segid " A" and resid 114 and name HG1%) ASSI { 1442} (( segid " A" and resid 173 and name HN )) ( segid " A" and resid 183 and name HD1%) 3.700 1.700 1.700 peak 1442 spectrum 1 weight 0.10000E+01 volume 0.13414E-02 ppm1 8.109 ppm2 0.905 CV 1 OR { 1442} (( segid " A" and resid 173 and name HN )) ( segid " A" and resid 168 and name HD1%) OR { 1442} (( segid " A" and resid 173 and name HN )) ( segid " A" and resid 114 and name HG1%) ASSI { 1443} (( segid " A" and resid 167 and name HN )) ( segid " A" and resid 165 and name HB% ) 4.400 2.400 1.600 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.13109E-02 ppm1 7.393 ppm2 0.691 CV 1 ASSI { 1444} (( segid " A" and resid 130 and name HN )) (( segid " A" and resid 131 and name HA )) 4.200 2.200 1.800 peak 1444 spectrum 1 weight 0.10000E+01 volume 0.13793E-02 ppm1 7.954 ppm2 4.212 CV 1 ASSI { 1445} (( segid " A" and resid 130 and name HN )) ( segid " A" and resid 131 and name HB% ) 4.500 2.500 1.500 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.14720E-02 ppm1 7.958 ppm2 1.473 CV 1 ASSI { 1446} (( segid " A" and resid 270 and name HN )) ( segid " A" and resid 270 and name HE% ) 4.700 2.700 1.300 peak 1446 spectrum 1 weight 0.10000E+01 volume 0.12826E-02 ppm1 7.866 ppm2 0.613 CV 1 ASSI { 1447} (( segid " A" and resid 286 and name HN )) (( segid " A" and resid 164 and name HG1 )) 3.400 1.400 1.400 peak 1447 spectrum 1 weight 0.10000E+01 volume 0.13338E-02 ppm1 9.852 ppm2 2.658 CV 1 ASSI { 1448} (( segid " A" and resid 208 and name HN )) (( segid " A" and resid 206 and name HB2 )) 3.900 1.900 1.900 peak 1448 spectrum 1 weight 0.10000E+01 volume 0.12581E-02 ppm1 7.724 ppm2 2.015 CV 1 OR { 1448} (( segid " A" and resid 208 and name HN )) (( segid " A" and resid 288 and name HB1 )) ASSI { 1449} (( segid " A" and resid 161 and name HN )) ( segid " A" and resid 162 and name HG2%) 4.500 2.500 1.500 peak 1449 spectrum 1 weight 0.10000E+01 volume 0.10166E-02 ppm1 8.717 ppm2 0.789 CV 1 ASSI { 1450} (( segid " A" and resid 161 and name HN )) ( segid " A" and resid 165 and name HB% ) 4.400 2.400 1.600 peak 1450 spectrum 1 weight 0.10000E+01 volume 0.12201E-02 ppm1 8.727 ppm2 0.671 CV 1 ASSI { 1451} (( segid " A" and resid 112 and name HN )) (( segid " A" and resid 108 and name HA )) 3.800 1.800 1.800 peak 1451 spectrum 1 weight 0.10000E+01 volume 0.13432E-02 ppm1 7.253 ppm2 4.021 CV 1 ASSI { 1452} (( segid " A" and resid 112 and name HN )) (( segid " A" and resid 111 and name HG1 )) 4.600 2.700 1.400 peak 1452 spectrum 1 weight 0.10000E+01 volume 0.11520E-02 ppm1 7.266 ppm2 2.624 CV 1 OR { 1452} (( segid " A" and resid 112 and name HN )) (( segid " A" and resid 111 and name HG2 )) ASSI { 1453} (( segid " A" and resid 112 and name HN )) (( segid " A" and resid 163 and name HG1 )) 4.400 2.400 1.600 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.14076E-02 ppm1 7.264 ppm2 2.041 CV 1 OR { 1453} (( segid " A" and resid 112 and name HN )) (( segid " A" and resid 159 and name HG1 )) OR { 1453} (( segid " A" and resid 112 and name HN )) (( segid " A" and resid 159 and name HG2 )) ASSI { 1454} (( segid " A" and resid 112 and name HN )) (( segid " A" and resid 163 and name HG2 )) 4.900 3.000 1.100 peak 1454 spectrum 1 weight 0.10000E+01 volume 0.14911E-02 ppm1 7.258 ppm2 1.888 CV 1 ASSI { 1455} (( segid " A" and resid 112 and name HN )) ( segid " A" and resid 108 and name HD2%) 4.500 2.500 1.500 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.11385E-02 ppm1 7.249 ppm2 0.877 CV 1 OR { 1455} (( segid " A" and resid 112 and name HN )) ( segid " A" and resid 110 and name HG2%) ASSI { 1456} (( segid " A" and resid 263 and name HN )) (( segid " A" and resid 264 and name HB2 )) 4.400 2.400 1.600 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.15536E-02 ppm1 6.955 ppm2 2.115 CV 1 OR { 1456} (( segid " A" and resid 263 and name HN )) (( segid " A" and resid 264 and name HB1 )) ASSI { 1457} (( segid " A" and resid 263 and name HN )) ( segid " A" and resid 211 and name HG2%) 4.900 3.000 1.100 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.13376E-02 ppm1 6.954 ppm2 1.004 CV 1 ASSI { 1458} (( segid " A" and resid 271 and name HD22)) (( segid " A" and resid 172 and name HE22)) 3.500 1.500 1.500 peak 1458 spectrum 1 weight 0.10000E+01 volume 0.11305E-02 ppm1 6.453 ppm2 6.911 CV 1 ASSI { 1459} (( segid " A" and resid 254 and name HN )) ( segid " A" and resid 239 and name HG2%) 3.600 1.600 1.600 peak 1459 spectrum 1 weight 0.10000E+01 volume 0.13963E-02 ppm1 7.831 ppm2 1.205 CV 1 ASSI { 1460} (( segid " A" and resid 269 and name HN )) (( segid " A" and resid 270 and name HA )) 4.700 2.800 1.300 peak 1460 spectrum 1 weight 0.10000E+01 volume 0.10246E-02 ppm1 7.513 ppm2 4.901 CV 1 ASSI { 1461} (( segid " A" and resid 252 and name HN )) (( segid " A" and resid 250 and name HB2 )) 3.600 1.600 1.600 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.14380E-02 ppm1 7.173 ppm2 2.496 CV 1 ASSI { 1462} (( segid " A" and resid 245 and name HN )) (( segid " A" and resid 244 and name HG2 )) 3.700 1.700 1.700 peak 1462 spectrum 1 weight 0.10000E+01 volume 0.10784E-02 ppm1 8.456 ppm2 2.094 CV 1 OR { 1462} (( segid " A" and resid 245 and name HN )) (( segid " A" and resid 244 and name HG1 )) ASSI { 1463} (( segid " A" and resid 269 and name HN )) (( segid " A" and resid 270 and name HG2 )) 4.300 2.300 1.700 peak 1463 spectrum 1 weight 0.10000E+01 volume 0.14663E-02 ppm1 7.513 ppm2 1.874 CV 1 OR { 1463} (( segid " A" and resid 269 and name HN )) (( segid " A" and resid 270 and name HB1 )) ASSI { 1464} (( segid " A" and resid 252 and name HN )) (( segid " A" and resid 240 and name HB2 )) 3.800 1.800 1.800 peak 1464 spectrum 1 weight 0.10000E+01 volume 0.12352E-02 ppm1 7.168 ppm2 1.505 CV 1 ASSI { 1465} (( segid " A" and resid 245 and name HN )) ( segid " A" and resid 245 and name HG2%) 3.500 1.600 1.600 peak 1465 spectrum 1 weight 0.10000E+01 volume 0.15574E-02 ppm1 8.458 ppm2 1.266 CV 1 ASSI { 1466} (( segid " A" and resid 269 and name HN )) ( segid " A" and resid 267 and name HG2%) 4.400 2.400 1.600 peak 1466 spectrum 1 weight 0.10000E+01 volume 0.14701E-02 ppm1 7.514 ppm2 1.014 CV 1 OR { 1466} (( segid " A" and resid 269 and name HN )) ( segid " A" and resid 282 and name HG1%) OR { 1466} (( segid " A" and resid 269 and name HN )) ( segid " A" and resid 267 and name HG1%) ASSI { 1467} (( segid " A" and resid 252 and name HN )) ( segid " A" and resid 216 and name HG2%) 4.000 2.000 2.000 peak 1467 spectrum 1 weight 0.10000E+01 volume 0.14399E-02 ppm1 7.165 ppm2 0.409 CV 1 ASSI { 1468} (( segid " A" and resid 268 and name HN )) (( segid " A" and resid 266 and name HA )) 3.700 1.800 1.800 peak 1468 spectrum 1 weight 0.10000E+01 volume 0.12522E-02 ppm1 7.663 ppm2 2.380 CV 1 ASSI { 1469} (( segid " A" and resid 268 and name HN )) ( segid " A" and resid 266 and name HB% ) 4.300 2.300 1.700 peak 1469 spectrum 1 weight 0.10000E+01 volume 0.11992E-02 ppm1 7.671 ppm2 1.355 CV 1 ASSI { 1470} (( segid " A" and resid 132 and name HN )) ( segid " A" and resid 132 and name HE% ) 4.600 2.600 1.400 peak 1470 spectrum 1 weight 0.10000E+01 volume 0.12921E-02 ppm1 8.109 ppm2 6.900 CV 1 ASSI { 1471} (( segid " A" and resid 132 and name HN )) (( segid " A" and resid 134 and name HD2 )) 3.500 1.600 1.600 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.12183E-02 ppm1 8.115 ppm2 3.093 CV 1 ASSI { 1472} (( segid " A" and resid 232 and name HN )) ( segid " A" and resid 266 and name HB% ) 4.200 2.300 1.800 peak 1472 spectrum 1 weight 0.10000E+01 volume 0.13680E-02 ppm1 6.903 ppm2 1.372 CV 1 ASSI { 1473} (( segid " A" and resid 247 and name HN )) (( segid " A" and resid 248 and name HB1 )) 4.500 2.600 1.500 peak 1473 spectrum 1 weight 0.10000E+01 volume 0.11841E-02 ppm1 8.438 ppm2 1.634 CV 1 OR { 1473} (( segid " A" and resid 247 and name HN )) (( segid " A" and resid 248 and name HD1 )) OR { 1473} (( segid " A" and resid 247 and name HN )) (( segid " A" and resid 248 and name HD2 )) ASSI { 1474} (( segid " A" and resid 247 and name HN )) ( segid " A" and resid 246 and name HG2%) 4.400 2.500 1.600 peak 1474 spectrum 1 weight 0.10000E+01 volume 0.99517E-03 ppm1 8.438 ppm2 1.225 CV 1 ASSI { 1475} (( segid " A" and resid 140 and name HN )) ( segid " A" and resid 141 and name HD1%) 5.100 3.300 0.900 peak 1475 spectrum 1 weight 0.10000E+01 volume 0.14911E-02 ppm1 7.749 ppm2 0.783 CV 1 OR { 1475} (( segid " A" and resid 140 and name HN )) ( segid " A" and resid 138 and name HD1%) ASSI { 1476} (( segid " A" and resid 140 and name HN )) ( segid " A" and resid 158 and name HG1%) 4.400 2.400 1.600 peak 1476 spectrum 1 weight 0.10000E+01 volume 0.11279E-02 ppm1 7.751 ppm2 0.167 CV 1 ASSI { 1477} (( segid " A" and resid 227 and name HN )) (( segid " A" and resid 238 and name HB2 )) 5.000 3.200 1.000 peak 1477 spectrum 1 weight 0.10000E+01 volume 0.13583E-02 ppm1 7.837 ppm2 2.884 CV 1 OR { 1477} (( segid " A" and resid 227 and name HN )) (( segid " A" and resid 226 and name HE2 )) OR { 1477} (( segid " A" and resid 227 and name HN )) (( segid " A" and resid 226 and name HE1 )) ASSI { 1478} (( segid " A" and resid 283 and name HN )) (( segid " A" and resid 212 and name HB2 )) 4.400 2.500 1.600 peak 1478 spectrum 1 weight 0.10000E+01 volume 0.12826E-02 ppm1 9.072 ppm2 2.550 CV 1 ASSI { 1479} (( segid " A" and resid 283 and name HN )) (( segid " A" and resid 211 and name HB )) 3.400 1.400 1.400 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.13451E-02 ppm1 9.068 ppm2 2.014 CV 1 ASSI { 1480} (( segid " A" and resid 227 and name HN )) (( segid " A" and resid 226 and name HG1 )) 4.400 2.400 1.600 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.13263E-02 ppm1 7.841 ppm2 1.279 CV 1 ASSI { 1481} (( segid " A" and resid 227 and name HN )) ( segid " A" and resid 228 and name HG1%) 4.700 2.800 1.300 peak 1481 spectrum 1 weight 0.10000E+01 volume 0.16199E-02 ppm1 7.836 ppm2 1.079 CV 1 OR { 1481} (( segid " A" and resid 227 and name HN )) (( segid " A" and resid 225 and name HG11)) ASSI { 1482} (( segid " A" and resid 283 and name HN )) ( segid " A" and resid 211 and name HD1%) 3.100 1.200 1.200 peak 1482 spectrum 1 weight 0.10000E+01 volume 0.10784E-02 ppm1 9.066 ppm2 0.773 CV 1 ASSI { 1485} (( segid " A" and resid 172 and name HE22)) (( segid " A" and resid 281 and name HA )) 3.600 1.600 1.600 peak 1485 spectrum 1 weight 0.10000E+01 volume 0.10959E-02 ppm1 6.916 ppm2 5.242 CV 1 ASSI { 1487} (( segid " A" and resid 172 and name HE21)) ( segid " A" and resid 168 and name HD2%) 4.200 2.200 1.800 peak 1487 spectrum 1 weight 0.10000E+01 volume 0.13414E-02 ppm1 7.763 ppm2 1.043 CV 1 OR { 1487} (( segid " A" and resid 172 and name HE21)) ( segid " A" and resid 282 and name HG1%) OR { 1487} (( segid " A" and resid 172 and name HE21)) (( segid " A" and resid 281 and name HG2 )) ASSI { 1488} (( segid " A" and resid 233 and name HN )) ( segid " A" and resid 235 and name HD1%) 4.400 2.400 1.600 peak 1488 spectrum 1 weight 0.10000E+01 volume 0.10100E-02 ppm1 7.631 ppm2 0.725 CV 1 ASSI { 1489} (( segid " A" and resid 162 and name HN )) (( segid " A" and resid 163 and name HD1 )) 4.500 2.500 1.500 peak 1489 spectrum 1 weight 0.10000E+01 volume 0.11784E-02 ppm1 6.872 ppm2 4.047 CV 1 ASSI { 1490} (( segid " A" and resid 287 and name HN )) (( segid " A" and resid 288 and name HD2 )) 4.400 2.400 1.600 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.13395E-02 ppm1 7.256 ppm2 3.949 CV 1 ASSI { 1491} (( segid " A" and resid 135 and name HN )) (( segid " A" and resid 134 and name HD1 )) 3.900 1.900 1.900 peak 1491 spectrum 1 weight 0.10000E+01 volume 0.14911E-02 ppm1 6.563 ppm2 3.724 CV 1 ASSI { 1492} (( segid " A" and resid 287 and name HN )) (( segid " A" and resid 164 and name HG1 )) 3.600 1.600 1.600 peak 1492 spectrum 1 weight 0.10000E+01 volume 0.11293E-02 ppm1 7.262 ppm2 2.648 CV 1 ASSI { 1493} (( segid " A" and resid 135 and name HN )) (( segid " A" and resid 134 and name HB2 )) 3.100 1.200 1.200 peak 1493 spectrum 1 weight 0.10000E+01 volume 0.13661E-02 ppm1 6.563 ppm2 2.052 CV 1 ASSI { 1494} (( segid " A" and resid 287 and name HN )) ( segid " A" and resid 111 and name HE% ) 4.700 2.700 1.300 peak 1494 spectrum 1 weight 0.10000E+01 volume 0.10581E-02 ppm1 7.252 ppm2 1.989 CV 1 ASSI { 1495} (( segid " A" and resid 135 and name HN )) (( segid " A" and resid 134 and name HG1 )) 4.500 2.500 1.500 peak 1495 spectrum 1 weight 0.10000E+01 volume 0.14286E-02 ppm1 6.561 ppm2 1.746 CV 1 ASSI { 1496} (( segid " A" and resid 124 and name HN )) (( segid " A" and resid 127 and name HB )) 3.500 1.600 1.600 peak 1496 spectrum 1 weight 0.10000E+01 volume 0.11345E-02 ppm1 8.287 ppm2 4.194 CV 1 ASSI { 1497} (( segid " A" and resid 124 and name HN )) (( segid " A" and resid 123 and name HB2 )) 4.600 2.600 1.400 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.10555E-02 ppm1 8.289 ppm2 1.949 CV 1 ASSI { 1498} (( segid " A" and resid 277 and name HN )) (( segid " A" and resid 278 and name HA )) 4.100 2.200 1.900 peak 1498 spectrum 1 weight 0.10000E+01 volume 0.13869E-02 ppm1 8.386 ppm2 4.384 CV 1 OR { 1498} (( segid " A" and resid 277 and name HN )) (( segid " A" and resid 274 and name HA )) ASSI { 1499} (( segid " A" and resid 253 and name HN )) ( segid " A" and resid 241 and name HB% ) 4.200 2.200 1.800 peak 1499 spectrum 1 weight 0.10000E+01 volume 0.14057E-02 ppm1 8.835 ppm2 0.801 CV 1 OR { 1499} (( segid " A" and resid 253 and name HN )) (( segid " A" and resid 240 and name HB1 )) ASSI { 1500} (( segid " A" and resid 136 and name HN )) (( segid " A" and resid 137 and name HD2 )) 4.500 2.500 1.500 peak 1500 spectrum 1 weight 0.10000E+01 volume 0.16067E-02 ppm1 7.736 ppm2 3.227 CV 1 ASSI { 1501} (( segid " A" and resid 136 and name HN )) (( segid " A" and resid 160 and name HB2 )) 4.900 3.000 1.100 peak 1501 spectrum 1 weight 0.10000E+01 volume 0.99257E-03 ppm1 7.747 ppm2 2.788 CV 1 OR { 1501} (( segid " A" and resid 136 and name HN )) (( segid " A" and resid 252 and name HB1 )) ASSI { 1502} (( segid " A" and resid 136 and name HN )) (( segid " A" and resid 138 and name HG12)) 4.700 2.800 1.300 peak 1502 spectrum 1 weight 0.10000E+01 volume 0.11520E-02 ppm1 7.736 ppm2 1.910 CV 1 OR { 1502} (( segid " A" and resid 136 and name HN )) (( segid " A" and resid 168 and name HG )) ASSI { 1503} (( segid " A" and resid 136 and name HN )) ( segid " A" and resid 138 and name HD1%) 4.500 2.500 1.500 peak 1503 spectrum 1 weight 0.10000E+01 volume 0.12638E-02 ppm1 7.737 ppm2 0.794 CV 1 OR { 1503} (( segid " A" and resid 136 and name HN )) ( segid " A" and resid 162 and name HG2%) ASSI { 1504} (( segid " A" and resid 217 and name HN )) (( segid " A" and resid 220 and name HB1 )) 4.300 2.300 1.700 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.11039E-02 ppm1 9.111 ppm2 2.015 CV 1 OR { 1504} (( segid " A" and resid 217 and name HN )) (( segid " A" and resid 278 and name HB1 )) ASSI { 1505} (( segid " A" and resid 258 and name HN )) (( segid " A" and resid 258 and name HG1 )) 2.300 0.600 0.600 peak 1505 spectrum 1 weight 0.10000E+01 volume 0.63271E-02 ppm1 8.287 ppm2 2.258 CV 1 ASSI { 1507} (( segid " A" and resid 256 and name HN )) (( segid " A" and resid 256 and name HG1 )) 3.200 1.300 1.300 peak 1507 spectrum 1 weight 0.10000E+01 volume 0.17977E-02 ppm1 8.793 ppm2 2.313 CV 1 ASSI { 1508} (( segid " A" and resid 256 and name HN )) (( segid " A" and resid 256 and name HG2 )) 3.600 1.600 1.600 peak 1508 spectrum 1 weight 0.10000E+01 volume 0.40231E-02 ppm1 8.795 ppm2 2.186 CV 1 ASSI { 1509} (( segid " A" and resid 250 and name HN )) (( segid " A" and resid 250 and name HG1 )) 2.100 0.600 0.600 peak 1509 spectrum 1 weight 0.10000E+01 volume 0.75133E-02 ppm1 8.627 ppm2 1.383 CV 1 ASSI { 1510} (( segid " A" and resid 111 and name HN )) ( segid " A" and resid 111 and name HE% ) 4.800 2.900 1.200 peak 1510 spectrum 1 weight 0.10000E+01 volume 0.18057E-02 ppm1 8.216 ppm2 1.996 CV 1 ASSI { 1511} (( segid " A" and resid 113 and name HN )) (( segid " A" and resid 113 and name HB1 )) 3.400 1.500 1.500 peak 1511 spectrum 1 weight 0.10000E+01 volume 0.63507E-02 ppm1 7.442 ppm2 1.839 CV 1 ASSI { 1512} (( segid " A" and resid 113 and name HN )) (( segid " A" and resid 113 and name HG2 )) 3.100 1.200 1.200 peak 1512 spectrum 1 weight 0.10000E+01 volume 0.92819E-02 ppm1 7.443 ppm2 1.774 CV 1 ASSI { 1513} (( segid " A" and resid 139 and name HN )) (( segid " A" and resid 139 and name HG2 )) 4.200 2.200 1.800 peak 1513 spectrum 1 weight 0.10000E+01 volume 0.20898E-02 ppm1 9.559 ppm2 1.416 CV 1 ASSI { 1514} (( segid " A" and resid 139 and name HN )) (( segid " A" and resid 139 and name HG1 )) 4.400 2.400 1.600 peak 1514 spectrum 1 weight 0.10000E+01 volume 0.16932E-02 ppm1 9.548 ppm2 1.322 CV 1 ASSI { 1516} (( segid " A" and resid 130 and name HN )) (( segid " A" and resid 130 and name HG1 )) 2.600 0.800 0.800 peak 1516 spectrum 1 weight 0.10000E+01 volume 0.44688E-02 ppm1 7.959 ppm2 2.438 CV 1 ASSI { 1517} (( segid " A" and resid 141 and name HN )) ( segid " A" and resid 141 and name HD1%) 4.500 2.500 1.500 peak 1517 spectrum 1 weight 0.10000E+01 volume 0.15460E-02 ppm1 8.220 ppm2 0.786 CV 1 ASSI { 1518} (( segid " A" and resid 148 and name HN )) (( segid " A" and resid 148 and name HA )) 3.900 1.900 1.900 peak 1518 spectrum 1 weight 0.10000E+01 volume 0.81264E-03 ppm1 8.352 ppm2 3.919 CV 1 ASSI { 1520} (( segid " A" and resid 149 and name HN )) (( segid " A" and resid 149 and name HB )) 4.200 2.200 1.800 peak 1520 spectrum 1 weight 0.10000E+01 volume 0.99257E-03 ppm1 7.747 ppm2 4.133 CV 1 ASSI { 1521} (( segid " A" and resid 161 and name HN )) (( segid " A" and resid 161 and name HG1 )) 2.600 0.900 0.900 peak 1521 spectrum 1 weight 0.10000E+01 volume 0.61927E-02 ppm1 8.719 ppm2 2.311 CV 1 OR { 1521} (( segid " A" and resid 161 and name HN )) (( segid " A" and resid 161 and name HG2 )) ASSI { 1522} (( segid " A" and resid 177 and name HN )) (( segid " A" and resid 177 and name HG2 )) 4.300 2.300 1.700 peak 1522 spectrum 1 weight 0.10000E+01 volume 0.21648E-02 ppm1 8.283 ppm2 2.310 CV 1 ASSI { 1523} (( segid " A" and resid 177 and name HN )) ( segid " A" and resid 177 and name HE% ) 3.700 1.700 1.700 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.53814E-02 ppm1 8.281 ppm2 1.957 CV 1 ASSI { 1524} (( segid " A" and resid 115 and name HN )) (( segid " A" and resid 115 and name HB1 )) 2.700 0.900 0.900 peak 1524 spectrum 1 weight 0.10000E+01 volume 0.42330E-02 ppm1 8.850 ppm2 2.480 CV 1 ASSI { 1525} (( segid " A" and resid 116 and name HN )) (( segid " A" and resid 116 and name HA )) 3.000 1.100 1.100 peak 1525 spectrum 1 weight 0.10000E+01 volume 0.26365E-02 ppm1 8.413 ppm2 4.612 CV 1 ASSI { 1526} (( segid " A" and resid 169 and name HN )) (( segid " A" and resid 168 and name HB1 )) 2.500 0.800 0.800 peak 1526 spectrum 1 weight 0.10000E+01 volume 0.43886E-02 ppm1 7.754 ppm2 1.565 CV 1 ASSI { 1527} (( segid " A" and resid 167 and name HN )) (( segid " A" and resid 166 and name HA )) 3.400 1.400 1.400 peak 1527 spectrum 1 weight 0.10000E+01 volume 0.29666E-02 ppm1 7.395 ppm2 3.688 CV 1 ASSI { 1529} (( segid " A" and resid 141 and name HN )) (( segid " A" and resid 140 and name HB1 )) 3.300 1.400 1.400 peak 1529 spectrum 1 weight 0.10000E+01 volume 0.44523E-02 ppm1 8.221 ppm2 3.759 CV 1 ASSI { 1530} (( segid " A" and resid 136 and name HN )) (( segid " A" and resid 135 and name HA )) 3.000 1.100 1.100 peak 1530 spectrum 1 weight 0.10000E+01 volume 0.49475E-02 ppm1 7.733 ppm2 3.920 CV 1 ASSI { 1531} (( segid " A" and resid 129 and name HN )) (( segid " A" and resid 128 and name HA )) 2.800 1.000 1.000 peak 1531 spectrum 1 weight 0.10000E+01 volume 0.51763E-02 ppm1 8.910 ppm2 3.738 CV 1 ASSI { 1532} (( segid " A" and resid 129 and name HN )) (( segid " A" and resid 128 and name HB )) 2.400 0.700 0.700 peak 1532 spectrum 1 weight 0.10000E+01 volume 0.66549E-02 ppm1 8.907 ppm2 2.034 CV 1 ASSI { 1533} (( segid " A" and resid 114 and name HN )) (( segid " A" and resid 113 and name HB1 )) 3.300 1.300 1.300 peak 1533 spectrum 1 weight 0.10000E+01 volume 0.17281E-02 ppm1 9.120 ppm2 1.832 CV 1 ASSI { 1534} (( segid " A" and resid 109 and name HN )) (( segid " A" and resid 108 and name HA )) 3.200 1.300 1.300 peak 1534 spectrum 1 weight 0.10000E+01 volume 0.25422E-02 ppm1 7.437 ppm2 4.038 CV 1 ASSI { 1535} (( segid " A" and resid 109 and name HN )) (( segid " A" and resid 108 and name HB2 )) 2.400 0.700 0.700 peak 1535 spectrum 1 weight 0.10000E+01 volume 0.78340E-02 ppm1 7.439 ppm2 1.510 CV 1 ASSI { 1536} (( segid " A" and resid 108 and name HN )) (( segid " A" and resid 107 and name HA )) 2.900 1.100 1.100 peak 1536 spectrum 1 weight 0.10000E+01 volume 0.52895E-02 ppm1 8.175 ppm2 3.972 CV 1 ASSI { 1537} (( segid " A" and resid 108 and name HN )) ( segid " A" and resid 107 and name HB% ) 2.400 0.700 0.700 peak 1537 spectrum 1 weight 0.10000E+01 volume 0.83905E-02 ppm1 8.161 ppm2 1.507 CV 1 ASSI { 1538} (( segid " A" and resid 272 and name HN )) (( segid " A" and resid 271 and name HA )) 2.200 0.600 0.600 peak 1538 spectrum 1 weight 0.10000E+01 volume 0.10322E-01 ppm1 9.191 ppm2 4.461 CV 1 OR { 1538} (( segid " A" and resid 280 and name HN )) (( segid " A" and resid 280 and name HA )) ASSI { 1539} (( segid " A" and resid 270 and name HN )) (( segid " A" and resid 270 and name HG2 )) 2.200 0.600 0.600 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.72232E-02 ppm1 7.869 ppm2 1.877 CV 1 ASSI { 1540} (( segid " A" and resid 183 and name HN )) ( segid " A" and resid 183 and name HD1%) 4.200 2.200 1.800 peak 1540 spectrum 1 weight 0.10000E+01 volume 0.35255E-02 ppm1 8.357 ppm2 0.906 CV 1 ASSI { 1541} (( segid " A" and resid 184 and name HN )) (( segid " A" and resid 184 and name HB1 )) 3.100 1.200 1.200 peak 1541 spectrum 1 weight 0.10000E+01 volume 0.35208E-02 ppm1 7.984 ppm2 1.619 CV 1 ASSI { 1542} (( segid " A" and resid 125 and name HN )) (( segid " A" and resid 125 and name HB2 )) 3.500 1.500 1.500 peak 1542 spectrum 1 weight 0.10000E+01 volume 0.10515E-02 ppm1 8.925 ppm2 2.183 CV 1 ASSI { 1543} (( segid " A" and resid 145 and name HN )) (( segid " A" and resid 145 and name HA )) 2.800 1.000 1.000 peak 1543 spectrum 1 weight 0.10000E+01 volume 0.56904E-02 ppm1 8.265 ppm2 4.644 CV 1 ASSI { 1544} (( segid " A" and resid 145 and name HN )) (( segid " A" and resid 144 and name HA )) 2.800 1.000 1.000 peak 1544 spectrum 1 weight 0.10000E+01 volume 0.43344E-02 ppm1 8.266 ppm2 4.514 CV 1 ASSI { 1545} (( segid " A" and resid 145 and name HN )) (( segid " A" and resid 145 and name HB2 )) 3.800 1.800 1.800 peak 1545 spectrum 1 weight 0.10000E+01 volume 0.15743E-02 ppm1 8.264 ppm2 3.048 CV 1 ASSI { 1546} (( segid " A" and resid 146 and name HN )) (( segid " A" and resid 146 and name HB2 )) 3.200 1.300 1.300 peak 1546 spectrum 1 weight 0.10000E+01 volume 0.25539E-02 ppm1 8.295 ppm2 2.332 CV 1 ASSI { 1547} (( segid " A" and resid 146 and name HN )) (( segid " A" and resid 146 and name HB1 )) 3.600 1.600 1.600 peak 1547 spectrum 1 weight 0.10000E+01 volume 0.29336E-02 ppm1 8.298 ppm2 3.110 CV 1 ASSI { 1548} (( segid " A" and resid 146 and name HN )) (( segid " A" and resid 145 and name HA )) 2.600 0.800 0.800 peak 1548 spectrum 1 weight 0.10000E+01 volume 0.78246E-02 ppm1 8.297 ppm2 4.632 CV 1 ASSI { 1549} (( segid " A" and resid 146 and name HN )) (( segid " A" and resid 152 and name HA )) 3.500 1.600 1.600 peak 1549 spectrum 1 weight 0.10000E+01 volume 0.17201E-02 ppm1 8.299 ppm2 5.018 CV 1 ASSI { 1550} (( segid " A" and resid 139 and name HN )) (( segid " A" and resid 138 and name HG11)) 5.200 3.400 0.800 peak 1550 spectrum 1 weight 0.10000E+01 volume 0.79071E-03 ppm1 9.553 ppm2 0.346 CV 1 ASSI { 1551} (( segid " A" and resid 139 and name HN )) ( segid " A" and resid 158 and name HG1%) 4.600 2.600 1.400 peak 1551 spectrum 1 weight 0.10000E+01 volume 0.78788E-03 ppm1 9.543 ppm2 0.170 CV 1 ASSI { 1552} (( segid " A" and resid 225 and name HN )) ( segid " A" and resid 240 and name HD2%) 5.300 3.500 0.700 peak 1552 spectrum 1 weight 0.10000E+01 volume 0.74449E-03 ppm1 7.368 ppm2 0.131 CV 1 ASSI { 1553} (( segid " A" and resid 109 and name HN )) (( segid " A" and resid 107 and name HA )) 3.500 1.500 1.500 peak 1553 spectrum 1 weight 0.10000E+01 volume 0.20524E-02 ppm1 7.438 ppm2 3.970 CV 1 ASSI { 1554} (( segid " A" and resid 110 and name HN )) (( segid " A" and resid 108 and name HA )) 3.400 1.400 1.400 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.20979E-02 ppm1 7.610 ppm2 4.036 CV 1 ASSI { 1555} (( segid " A" and resid 112 and name HN )) (( segid " A" and resid 109 and name HA )) 2.900 1.000 1.000 peak 1555 spectrum 1 weight 0.10000E+01 volume 0.51150E-02 ppm1 7.255 ppm2 4.150 CV 1 ASSI { 1556} (( segid " A" and resid 111 and name HN )) (( segid " A" and resid 109 and name HA )) 4.000 2.000 2.000 peak 1556 spectrum 1 weight 0.10000E+01 volume 0.11520E-02 ppm1 8.216 ppm2 4.142 CV 1 ASSI { 1557} (( segid " A" and resid 111 and name HN )) (( segid " A" and resid 109 and name HN )) 4.000 2.000 2.000 peak 1557 spectrum 1 weight 0.10000E+01 volume 0.12409E-02 ppm1 8.216 ppm2 7.451 CV 1 OR { 1557} (( segid " A" and resid 111 and name HN )) (( segid " A" and resid 113 and name HN )) ASSI { 1558} (( segid " A" and resid 112 and name HN )) (( segid " A" and resid 110 and name HA )) 3.600 1.600 1.600 peak 1558 spectrum 1 weight 0.10000E+01 volume 0.18111E-02 ppm1 7.255 ppm2 3.703 CV 1 ASSI { 1559} (( segid " A" and resid 110 and name HN )) (( segid " A" and resid 112 and name HN )) 4.200 2.200 1.800 peak 1559 spectrum 1 weight 0.10000E+01 volume 0.88669E-03 ppm1 7.600 ppm2 7.248 CV 1 ASSI { 1560} (( segid " A" and resid 113 and name HN )) (( segid " A" and resid 111 and name HN )) 4.000 2.000 2.000 peak 1560 spectrum 1 weight 0.10000E+01 volume 0.87608E-03 ppm1 7.429 ppm2 8.226 CV 1 ASSI { 1561} (( segid " A" and resid 113 and name HN )) (( segid " A" and resid 112 and name HB1 )) 4.400 2.400 1.600 peak 1561 spectrum 1 weight 0.10000E+01 volume 0.11011E-02 ppm1 7.440 ppm2 3.617 CV 1 ASSI { 1562} (( segid " A" and resid 128 and name HN )) (( segid " A" and resid 125 and name HA )) 3.000 1.100 1.100 peak 1562 spectrum 1 weight 0.10000E+01 volume 0.48414E-02 ppm1 7.458 ppm2 3.747 CV 1 ASSI { 1563} (( segid " A" and resid 130 and name HN )) (( segid " A" and resid 127 and name HA )) 2.700 0.900 0.900 peak 1563 spectrum 1 weight 0.10000E+01 volume 0.92607E-02 ppm1 7.956 ppm2 4.036 CV 1 ASSI { 1564} (( segid " A" and resid 130 and name HN )) (( segid " A" and resid 128 and name HA )) 3.700 1.700 1.700 peak 1564 spectrum 1 weight 0.10000E+01 volume 0.12864E-02 ppm1 7.961 ppm2 3.751 CV 1 ASSI { 1566} (( segid " A" and resid 130 and name HN )) (( segid " A" and resid 128 and name HN )) 3.800 1.800 1.800 peak 1566 spectrum 1 weight 0.10000E+01 volume 0.87749E-03 ppm1 7.963 ppm2 7.447 CV 1 ASSI { 1567} (( segid " A" and resid 133 and name HN )) (( segid " A" and resid 129 and name HA )) 3.100 1.200 1.200 peak 1567 spectrum 1 weight 0.10000E+01 volume 0.41316E-02 ppm1 8.668 ppm2 3.712 CV 1 ASSI { 1568} (( segid " A" and resid 132 and name HN )) (( segid " A" and resid 129 and name HA )) 3.200 1.300 1.300 peak 1568 spectrum 1 weight 0.10000E+01 volume 0.22988E-02 ppm1 8.113 ppm2 3.710 CV 1 ASSI { 1569} (( segid " A" and resid 131 and name HN )) (( segid " A" and resid 129 and name HA )) 3.500 1.500 1.500 peak 1569 spectrum 1 weight 0.10000E+01 volume 0.19826E-02 ppm1 7.769 ppm2 3.694 CV 1 ASSI { 1570} (( segid " A" and resid 132 and name HN )) (( segid " A" and resid 130 and name HA )) 4.000 2.000 2.000 peak 1570 spectrum 1 weight 0.10000E+01 volume 0.99658E-03 ppm1 8.108 ppm2 4.057 CV 1 ASSI { 1572} (( segid " A" and resid 132 and name HN )) (( segid " A" and resid 130 and name HN )) 3.300 1.400 1.400 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.33180E-02 ppm1 8.113 ppm2 7.940 CV 1 ASSI { 1573} (( segid " A" and resid 133 and name HN )) (( segid " A" and resid 131 and name HA )) 4.400 2.400 1.600 peak 1573 spectrum 1 weight 0.10000E+01 volume 0.86122E-03 ppm1 8.666 ppm2 4.234 CV 1 ASSI { 1574} (( segid " A" and resid 133 and name HN )) (( segid " A" and resid 132 and name HA )) 2.900 1.100 1.100 peak 1574 spectrum 1 weight 0.10000E+01 volume 0.44523E-02 ppm1 8.664 ppm2 4.763 CV 1 ASSI { 1575} (( segid " A" and resid 167 and name HN )) (( segid " A" and resid 163 and name HA )) 4.100 2.100 1.900 peak 1575 spectrum 1 weight 0.10000E+01 volume 0.93362E-03 ppm1 7.390 ppm2 4.170 CV 1 ASSI { 1576} (( segid " A" and resid 164 and name HN )) (( segid " A" and resid 162 and name HB )) 2.900 1.000 1.000 peak 1576 spectrum 1 weight 0.10000E+01 volume 0.26553E-02 ppm1 9.465 ppm2 2.201 CV 1 ASSI { 1577} (( segid " A" and resid 168 and name HN )) (( segid " A" and resid 164 and name HA )) 3.700 1.700 1.700 peak 1577 spectrum 1 weight 0.10000E+01 volume 0.97394E-03 ppm1 7.487 ppm2 3.317 CV 1 ASSI { 1578} (( segid " A" and resid 164 and name HN )) (( segid " A" and resid 166 and name HN )) 3.900 1.900 1.900 peak 1578 spectrum 1 weight 0.10000E+01 volume 0.81641E-03 ppm1 9.476 ppm2 5.967 CV 1 ASSI { 1580} (( segid " A" and resid 168 and name HN )) (( segid " A" and resid 165 and name HA )) 3.400 1.500 1.500 peak 1580 spectrum 1 weight 0.10000E+01 volume 0.30539E-02 ppm1 7.491 ppm2 3.676 CV 1 ASSI { 1581} (( segid " A" and resid 167 and name HN )) (( segid " A" and resid 165 and name HA )) 3.700 1.700 1.700 peak 1581 spectrum 1 weight 0.10000E+01 volume 0.29666E-02 ppm1 7.394 ppm2 3.683 CV 1 ASSI { 1582} (( segid " A" and resid 166 and name HN )) (( segid " A" and resid 166 and name HA )) 2.700 0.900 0.900 peak 1582 spectrum 1 weight 0.10000E+01 volume 0.66337E-02 ppm1 5.955 ppm2 3.676 CV 1 ASSI { 1583} (( segid " A" and resid 170 and name HN )) (( segid " A" and resid 166 and name HA )) 3.400 1.400 1.400 peak 1583 spectrum 1 weight 0.10000E+01 volume 0.15310E-02 ppm1 8.018 ppm2 3.672 CV 1 ASSI { 1584} (( segid " A" and resid 169 and name HN )) (( segid " A" and resid 166 and name HA )) 3.000 1.100 1.100 peak 1584 spectrum 1 weight 0.10000E+01 volume 0.34406E-02 ppm1 7.751 ppm2 3.687 CV 1 ASSI { 1585} (( segid " A" and resid 168 and name HN )) (( segid " A" and resid 166 and name HA )) 3.300 1.400 1.400 peak 1585 spectrum 1 weight 0.10000E+01 volume 0.30539E-02 ppm1 7.493 ppm2 3.672 CV 1 ASSI { 1586} (( segid " A" and resid 170 and name HN )) (( segid " A" and resid 167 and name HA )) 2.800 1.000 1.000 peak 1586 spectrum 1 weight 0.10000E+01 volume 0.78340E-02 ppm1 8.016 ppm2 3.749 CV 1 ASSI { 1587} (( segid " A" and resid 169 and name HN )) (( segid " A" and resid 167 and name HA )) 3.900 1.900 1.900 peak 1587 spectrum 1 weight 0.10000E+01 volume 0.15119E-02 ppm1 7.747 ppm2 3.747 CV 1 ASSI { 1589} (( segid " A" and resid 167 and name HN )) (( segid " A" and resid 169 and name HN )) 4.400 2.400 1.600 peak 1589 spectrum 1 weight 0.10000E+01 volume 0.81924E-03 ppm1 7.395 ppm2 7.746 CV 1 ASSI { 1591} (( segid " A" and resid 168 and name HN )) (( segid " A" and resid 167 and name HN )) 2.500 0.800 0.800 peak 1591 spectrum 1 weight 0.10000E+01 volume 0.50772E-02 ppm1 7.485 ppm2 7.396 CV 1 ASSI { 1592} (( segid " A" and resid 171 and name HN )) (( segid " A" and resid 168 and name HA )) 2.800 1.000 1.000 peak 1592 spectrum 1 weight 0.10000E+01 volume 0.93126E-02 ppm1 7.620 ppm2 4.059 CV 1 ASSI { 1593} (( segid " A" and resid 173 and name HN )) (( segid " A" and resid 170 and name HA )) 3.600 1.600 1.600 peak 1593 spectrum 1 weight 0.10000E+01 volume 0.97111E-03 ppm1 8.101 ppm2 3.786 CV 1 ASSI { 1594} (( segid " A" and resid 172 and name HN )) (( segid " A" and resid 170 and name HA )) 4.200 2.200 1.800 peak 1594 spectrum 1 weight 0.10000E+01 volume 0.77939E-03 ppm1 8.174 ppm2 3.771 CV 1 ASSI { 1595} (( segid " A" and resid 201 and name HN )) (( segid " A" and resid 197 and name HA )) 3.600 1.700 1.700 peak 1595 spectrum 1 weight 0.10000E+01 volume 0.22773E-02 ppm1 8.649 ppm2 3.912 CV 1 ASSI { 1596} (( segid " A" and resid 200 and name HN )) (( segid " A" and resid 198 and name HA )) 3.900 1.900 1.900 peak 1596 spectrum 1 weight 0.10000E+01 volume 0.97512E-03 ppm1 7.665 ppm2 3.566 CV 1 ASSI { 1598} (( segid " A" and resid 203 and name HN )) (( segid " A" and resid 199 and name HA )) 3.700 1.700 1.700 peak 1598 spectrum 1 weight 0.10000E+01 volume 0.19425E-02 ppm1 7.826 ppm2 4.422 CV 1 ASSI { 1599} (( segid " A" and resid 201 and name HN )) (( segid " A" and resid 199 and name HA )) 4.000 2.000 2.000 peak 1599 spectrum 1 weight 0.10000E+01 volume 0.99658E-03 ppm1 8.653 ppm2 4.422 CV 1 ASSI { 1600} (( segid " A" and resid 200 and name HN )) (( segid " A" and resid 198 and name HN )) 3.700 1.700 1.700 peak 1600 spectrum 1 weight 0.10000E+01 volume 0.12845E-02 ppm1 7.669 ppm2 8.012 CV 1 ASSI { 1601} (( segid " A" and resid 203 and name HN )) (( segid " A" and resid 200 and name HA )) 2.700 0.900 0.900 peak 1601 spectrum 1 weight 0.10000E+01 volume 0.67303E-02 ppm1 7.824 ppm2 4.150 CV 1 ASSI { 1602} (( segid " A" and resid 202 and name HN )) (( segid " A" and resid 200 and name HA )) 4.000 2.000 2.000 peak 1602 spectrum 1 weight 0.10000E+01 volume 0.11345E-02 ppm1 8.029 ppm2 4.146 CV 1 ASSI { 1603} (( segid " A" and resid 201 and name HN )) (( segid " A" and resid 200 and name HB2 )) 3.400 1.500 1.500 peak 1603 spectrum 1 weight 0.10000E+01 volume 0.66973E-02 ppm1 8.650 ppm2 2.221 CV 1 ASSI { 1604} (( segid " A" and resid 204 and name HN )) (( segid " A" and resid 201 and name HA )) 2.700 0.900 0.900 peak 1604 spectrum 1 weight 0.10000E+01 volume 0.48957E-02 ppm1 8.496 ppm2 4.018 CV 1 ASSI { 1605} (( segid " A" and resid 202 and name HN )) (( segid " A" and resid 201 and name HA )) 2.800 1.000 1.000 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.52753E-02 ppm1 8.025 ppm2 4.005 CV 1 ASSI { 1606} (( segid " A" and resid 206 and name HN )) (( segid " A" and resid 202 and name HA )) 3.600 1.700 1.700 peak 1606 spectrum 1 weight 0.10000E+01 volume 0.18434E-02 ppm1 7.504 ppm2 3.961 CV 1 ASSI { 1607} (( segid " A" and resid 204 and name HN )) (( segid " A" and resid 202 and name HN )) 4.000 2.000 2.000 peak 1607 spectrum 1 weight 0.10000E+01 volume 0.10100E-02 ppm1 8.500 ppm2 8.025 CV 1 ASSI { 1608} (( segid " A" and resid 207 and name HN )) (( segid " A" and resid 204 and name HA )) 3.100 1.200 1.200 peak 1608 spectrum 1 weight 0.10000E+01 volume 0.26483E-02 ppm1 7.330 ppm2 4.091 CV 1 ASSI { 1610} (( segid " A" and resid 205 and name HN )) (( segid " A" and resid 207 and name HN )) 4.300 2.300 1.700 peak 1610 spectrum 1 weight 0.10000E+01 volume 0.90555E-03 ppm1 8.252 ppm2 7.347 CV 1 ASSI { 1611} (( segid " A" and resid 207 and name HN )) (( segid " A" and resid 206 and name HA )) 3.300 1.400 1.400 peak 1611 spectrum 1 weight 0.10000E+01 volume 0.29053E-02 ppm1 7.326 ppm2 4.219 CV 1 ASSI { 1612} (( segid " A" and resid 206 and name HN )) (( segid " A" and resid 208 and name HN )) 3.700 1.700 1.700 peak 1612 spectrum 1 weight 0.10000E+01 volume 0.19639E-02 ppm1 7.500 ppm2 7.731 CV 1 ASSI { 1615} (( segid " A" and resid 221 and name HN )) (( segid " A" and resid 222 and name HN )) 4.700 2.800 1.300 peak 1615 spectrum 1 weight 0.10000E+01 volume 0.74260E-03 ppm1 9.499 ppm2 9.215 CV 1 ASSI { 1616} (( segid " A" and resid 224 and name HN )) (( segid " A" and resid 222 and name HA )) 3.800 1.800 1.800 peak 1616 spectrum 1 weight 0.10000E+01 volume 0.94965E-03 ppm1 7.639 ppm2 3.754 CV 1 ASSI { 1617} (( segid " A" and resid 228 and name HN )) (( segid " A" and resid 225 and name HA )) 2.400 2.400 3.600 peak 1617 spectrum 1 weight 0.10000E+01 volume 0.11154E-01 ppm1 7.213 ppm2 3.981 CV 1 ASSI { 1618} (( segid " A" and resid 228 and name HN )) (( segid " A" and resid 226 and name HA )) 3.900 1.900 1.900 peak 1618 spectrum 1 weight 0.10000E+01 volume 0.96451E-03 ppm1 7.203 ppm2 3.717 CV 1 ASSI { 1620} (( segid " A" and resid 265 and name HN )) (( segid " A" and resid 262 and name HA )) 3.300 1.300 1.300 peak 1620 spectrum 1 weight 0.10000E+01 volume 0.26271E-02 ppm1 8.219 ppm2 4.034 CV 1 ASSI { 1621} (( segid " A" and resid 262 and name HN )) (( segid " A" and resid 264 and name HN )) 3.900 1.900 1.900 peak 1621 spectrum 1 weight 0.10000E+01 volume 0.96592E-03 ppm1 6.880 ppm2 7.334 CV 1 ASSI { 1622} (( segid " A" and resid 265 and name HN )) (( segid " A" and resid 263 and name HA )) 2.900 1.100 1.100 peak 1622 spectrum 1 weight 0.10000E+01 volume 0.47895E-02 ppm1 8.219 ppm2 3.740 CV 1 ASSI { 1623} (( segid " A" and resid 263 and name HN )) (( segid " A" and resid 265 and name HN )) 4.000 2.000 2.000 peak 1623 spectrum 1 weight 0.10000E+01 volume 0.79354E-03 ppm1 6.947 ppm2 8.199 CV 1 ASSI { 1624} (( segid " A" and resid 266 and name HN )) (( segid " A" and resid 264 and name HA )) 3.800 1.800 1.800 peak 1624 spectrum 1 weight 0.10000E+01 volume 0.16350E-02 ppm1 7.952 ppm2 3.956 CV 1 ASSI { 1625} (( segid " A" and resid 268 and name HN )) (( segid " A" and resid 265 and name HA )) 2.800 1.000 1.000 peak 1625 spectrum 1 weight 0.10000E+01 volume 0.58814E-02 ppm1 7.661 ppm2 4.285 CV 1 ASSI { 1626} (( segid " A" and resid 265 and name HN )) (( segid " A" and resid 267 and name HN )) 4.100 2.100 1.900 peak 1626 spectrum 1 weight 0.10000E+01 volume 0.73954E-03 ppm1 8.217 ppm2 7.573 CV 1 ASSI { 1627} (( segid " A" and resid 266 and name HN )) (( segid " A" and resid 268 and name HN )) 3.800 1.800 1.800 peak 1627 spectrum 1 weight 0.10000E+01 volume 0.12675E-02 ppm1 7.950 ppm2 7.682 CV 1 ASSI { 1628} (( segid " A" and resid 117 and name HN )) (( segid " A" and resid 116 and name HN )) 4.500 2.500 1.500 peak 1628 spectrum 1 weight 0.10000E+01 volume 0.81736E-03 ppm1 9.121 ppm2 8.417 CV 1 ASSI { 1629} (( segid " A" and resid 138 and name HN )) (( segid " A" and resid 137 and name HA )) 2.200 0.600 0.600 peak 1629 spectrum 1 weight 0.10000E+01 volume 0.11867E-01 ppm1 8.799 ppm2 4.679 CV 1 ASSI { 1630} (( segid " A" and resid 141 and name HN )) (( segid " A" and resid 142 and name HN )) 4.600 2.700 1.400 peak 1630 spectrum 1 weight 0.10000E+01 volume 0.73765E-03 ppm1 8.223 ppm2 8.916 CV 1 ASSI { 1632} (( segid " A" and resid 158 and name HN )) (( segid " A" and resid 157 and name HN )) 4.300 2.300 1.700 peak 1632 spectrum 1 weight 0.10000E+01 volume 0.10060E-02 ppm1 8.906 ppm2 8.455 CV 1 ASSI { 1634} (( segid " A" and resid 162 and name HN )) (( segid " A" and resid 161 and name HB2 )) 2.800 1.000 1.000 peak 1634 spectrum 1 weight 0.10000E+01 volume 0.37448E-02 ppm1 6.867 ppm2 2.265 CV 1 ASSI { 1635} (( segid " A" and resid 184 and name HN )) (( segid " A" and resid 183 and name HB )) 2.500 0.800 0.800 peak 1635 spectrum 1 weight 0.10000E+01 volume 0.53272E-02 ppm1 7.978 ppm2 2.038 CV 1 ASSI { 1636} (( segid " A" and resid 139 and name HN )) (( segid " A" and resid 159 and name HN )) 3.900 1.900 1.900 peak 1636 spectrum 1 weight 0.10000E+01 volume 0.11588E-02 ppm1 9.551 ppm2 8.688 CV 1 ASSI { 1638} (( segid " A" and resid 140 and name HN )) (( segid " A" and resid 158 and name HA )) 4.700 2.800 1.300 peak 1638 spectrum 1 weight 0.10000E+01 volume 0.95767E-03 ppm1 7.753 ppm2 4.104 CV 1 ASSI { 1639} (( segid " A" and resid 241 and name HN )) (( segid " A" and resid 240 and name HB1 )) 2.400 0.700 0.700 peak 1639 spectrum 1 weight 0.10000E+01 volume 0.10883E-01 ppm1 8.465 ppm2 0.833 CV 1 ASSI { 1640} (( segid " A" and resid 257 and name HN )) (( segid " A" and resid 256 and name HB2 )) 4.100 2.100 1.900 peak 1640 spectrum 1 weight 0.10000E+01 volume 0.17656E-02 ppm1 8.862 ppm2 1.778 CV 1 ASSI { 1641} (( segid " A" and resid 258 and name HN )) (( segid " A" and resid 257 and name HN )) 4.300 2.300 1.700 peak 1641 spectrum 1 weight 0.10000E+01 volume 0.11279E-02 ppm1 8.291 ppm2 8.835 CV 1 ASSI { 1642} (( segid " A" and resid 280 and name HN )) (( segid " A" and resid 280 and name HA )) 2.600 0.900 0.900 peak 1642 spectrum 1 weight 0.10000E+01 volume 0.51692E-02 ppm1 9.182 ppm2 4.492 CV 1 ASSI { 1643} (( segid " A" and resid 212 and name HN )) (( segid " A" and resid 283 and name HN )) 2.900 1.000 1.000 peak 1643 spectrum 1 weight 0.10000E+01 volume 0.28039E-02 ppm1 9.187 ppm2 9.073 CV 1 ASSI { 1645} (( segid " A" and resid 283 and name HN )) (( segid " A" and resid 213 and name HA )) 3.300 1.400 1.400 peak 1645 spectrum 1 weight 0.10000E+01 volume 0.50254E-02 ppm1 9.063 ppm2 4.609 CV 1 ASSI { 1646} (( segid " A" and resid 281 and name HN )) (( segid " A" and resid 215 and name HA )) 3.200 3.200 2.800 peak 1646 spectrum 1 weight 0.10000E+01 volume 0.10020E-02 ppm1 7.786 ppm2 3.875 CV 1 ASSI { 1647} (( segid " A" and resid 211 and name HN )) (( segid " A" and resid 256 and name HA )) 3.500 1.600 1.600 peak 1647 spectrum 1 weight 0.10000E+01 volume 0.29171E-02 ppm1 9.533 ppm2 5.048 CV 1 ASSI { 1648} (( segid " A" and resid 239 and name HN )) (( segid " A" and resid 255 and name HA )) 3.100 1.200 1.200 peak 1648 spectrum 1 weight 0.10000E+01 volume 0.46410E-02 ppm1 8.178 ppm2 4.622 CV 1 ASSI { 1649} (( segid " A" and resid 241 and name HN )) (( segid " A" and resid 253 and name HA1 )) 3.100 1.200 1.200 peak 1649 spectrum 1 weight 0.10000E+01 volume 0.52895E-02 ppm1 8.459 ppm2 4.071 CV 1 ASSI { 1650} (( segid " A" and resid 286 and name HN )) (( segid " A" and resid 164 and name HA )) 4.100 2.100 1.900 peak 1650 spectrum 1 weight 0.10000E+01 volume 0.89070E-03 ppm1 9.846 ppm2 3.336 CV 1 ASSI { 1651} (( segid " A" and resid 160 and name HN )) (( segid " A" and resid 112 and name HB2 )) 3.600 1.600 1.600 peak 1651 spectrum 1 weight 0.10000E+01 volume 0.25351E-02 ppm1 8.969 ppm2 3.100 CV 1 ASSI { 1652} (( segid " A" and resid 123 and name HN )) ( segid " A" and resid 120 and name HD% ) 3.800 1.800 1.800 peak 1652 spectrum 1 weight 0.10000E+01 volume 0.15934E-02 ppm1 7.794 ppm2 7.098 CV 1 ASSI { 1653} (( segid " A" and resid 123 and name HN )) (( segid " A" and resid 152 and name HD2 )) 3.500 3.500 2.500 peak 1653 spectrum 1 weight 0.10000E+01 volume 0.10261E-02 ppm1 7.790 ppm2 6.866 CV 1 OR { 1653} (( segid " A" and resid 123 and name HN )) ( segid " A" and resid 120 and name HE% ) ASSI { 1654} (( segid " A" and resid 123 and name HN )) (( segid " A" and resid 123 and name HA )) 2.600 0.900 0.900 peak 1654 spectrum 1 weight 0.10000E+01 volume 0.46905E-02 ppm1 7.791 ppm2 4.425 CV 1 ASSI { 1655} (( segid " A" and resid 123 and name HN )) (( segid " A" and resid 122 and name HA )) 3.100 1.200 1.200 peak 1655 spectrum 1 weight 0.10000E+01 volume 0.44004E-02 ppm1 7.796 ppm2 4.163 CV 1 OR { 1655} (( segid " A" and resid 203 and name HN )) (( segid " A" and resid 200 and name HA )) ASSI { 1656} (( segid " A" and resid 123 and name HN )) (( segid " A" and resid 121 and name HA )) 5.200 3.300 0.800 peak 1656 spectrum 1 weight 0.10000E+01 volume 0.93102E-03 ppm1 7.788 ppm2 3.679 CV 1 ASSI { 1657} (( segid " A" and resid 123 and name HN )) (( segid " A" and resid 120 and name HB1 )) 3.700 1.700 1.700 peak 1657 spectrum 1 weight 0.10000E+01 volume 0.10140E-02 ppm1 7.790 ppm2 2.798 CV 1 ASSI { 1658} (( segid " A" and resid 123 and name HN )) (( segid " A" and resid 123 and name HB2 )) 2.400 0.700 0.700 peak 1658 spectrum 1 weight 0.10000E+01 volume 0.59026E-02 ppm1 7.792 ppm2 1.942 CV 1 ASSI { 1659} (( segid " A" and resid 123 and name HN )) (( segid " A" and resid 123 and name HG )) 2.200 0.600 0.600 peak 1659 spectrum 1 weight 0.10000E+01 volume 0.70298E-02 ppm1 7.793 ppm2 1.848 CV 1 ASSI { 1660} (( segid " A" and resid 123 and name HN )) (( segid " A" and resid 123 and name HB1 )) 3.400 1.500 1.500 peak 1660 spectrum 1 weight 0.10000E+01 volume 0.41151E-02 ppm1 7.794 ppm2 1.399 CV 1 ASSI { 1661} (( segid " A" and resid 123 and name HN )) ( segid " A" and resid 123 and name HD1%) 3.700 1.700 1.700 peak 1661 spectrum 1 weight 0.10000E+01 volume 0.58271E-02 ppm1 7.793 ppm2 0.966 CV 1 ASSI { 1662} (( segid " A" and resid 123 and name HN )) ( segid " A" and resid 119 and name HG2%) 3.700 1.700 1.700 peak 1662 spectrum 1 weight 0.10000E+01 volume 0.17790E-02 ppm1 7.798 ppm2 0.724 CV 1 ASSI { 1663} (( segid " A" and resid 123 and name HN )) ( segid " A" and resid 123 and name HD2%) 3.100 1.200 1.200 peak 1663 spectrum 1 weight 0.10000E+01 volume 0.58271E-02 ppm1 7.793 ppm2 0.966 CV 1 ASSI { 1664} (( segid " A" and resid 141 and name HN )) (( segid " A" and resid 141 and name HG11)) 3.400 1.400 1.400 peak 1664 spectrum 1 weight 0.10000E+01 volume 0.12958E-02 ppm1 8.220 ppm2 0.847 CV 1 ASSI { 1665} (( segid " A" and resid 184 and name HN )) (( segid " A" and resid 117 and name HN )) 3.400 1.400 1.400 peak 1665 spectrum 1 weight 0.10000E+01 volume 0.90555E-03 ppm1 7.990 ppm2 9.117 CV 1 ASSI { 1667} (( segid " A" and resid 186 and name HN )) (( segid " A" and resid 116 and name HA )) 3.900 1.900 1.900 peak 1667 spectrum 1 weight 0.10000E+01 volume 0.10046E-02 ppm1 9.031 ppm2 4.597 CV 1 ASSI { 1668} (( segid " A" and resid 186 and name HN )) (( segid " A" and resid 115 and name HN )) 3.500 1.500 1.500 peak 1668 spectrum 1 weight 0.10000E+01 volume 0.10784E-02 ppm1 9.021 ppm2 8.866 CV 1 ASSI { 1670} (( segid " A" and resid 242 and name HN )) (( segid " A" and resid 242 and name HG2 )) 3.500 1.500 1.500 peak 1670 spectrum 1 weight 0.10000E+01 volume 0.27049E-02 ppm1 8.479 ppm2 1.384 CV 1 ASSI { 1671} (( segid " A" and resid 242 and name HN )) (( segid " A" and resid 242 and name HG1 )) 3.400 1.400 1.400 peak 1671 spectrum 1 weight 0.10000E+01 volume 0.28676E-02 ppm1 8.479 ppm2 1.604 CV 1 ASSI { 1672} (( segid " A" and resid 114 and name HN )) ( segid " A" and resid 158 and name HG1%) 4.300 2.300 1.700 peak 1672 spectrum 1 weight 0.10000E+01 volume 0.10074E-02 ppm1 9.114 ppm2 0.145 CV 1 ASSI { 1673} (( segid " A" and resid 157 and name HN )) ( segid " A" and resid 141 and name HG2%) 3.900 1.900 1.900 peak 1673 spectrum 1 weight 0.10000E+01 volume 0.97512E-03 ppm1 8.473 ppm2 0.627 CV 1 ASSI { 1674} (( segid " A" and resid 236 and name HN )) (( segid " A" and resid 258 and name HN )) 4.200 2.200 1.800 peak 1674 spectrum 1 weight 0.10000E+01 volume 0.94046E-03 ppm1 9.119 ppm2 8.296 CV 1 OR { 1674} (( segid " A" and resid 235 and name HN )) (( segid " A" and resid 258 and name HN )) ASSI { 1675} (( segid " A" and resid 204 and name HN )) (( segid " A" and resid 204 and name HA )) 2.500 0.800 0.800 peak 1675 spectrum 1 weight 0.10000E+01 volume 0.95932E-02 ppm1 8.499 ppm2 4.080 CV 1 OR { 1675} (( segid " A" and resid 204 and name HN )) (( segid " A" and resid 203 and name HA )) ASSI { 1676} (( segid " A" and resid 108 and name HN )) ( segid " A" and resid 108 and name HD1%) 3.700 1.700 1.700 peak 1676 spectrum 1 weight 0.10000E+01 volume 0.60630E-02 ppm1 8.172 ppm2 0.875 CV 1 ASSI { 1677} (( segid " A" and resid 113 and name HN )) (( segid " A" and resid 113 and name HB2 )) 2.400 0.700 0.700 peak 1677 spectrum 1 weight 0.10000E+01 volume 0.92819E-02 ppm1 7.443 ppm2 1.774 CV 1 ASSI { 1678} (( segid " A" and resid 132 and name HN )) ( segid " A" and resid 128 and name HG2%) 4.400 2.400 1.600 peak 1678 spectrum 1 weight 0.10000E+01 volume 0.10796E-02 ppm1 8.121 ppm2 0.553 CV 1 OR { 1678} (( segid " A" and resid 132 and name HN )) ( segid " A" and resid 138 and name HG2%) ASSI { 1679} (( segid " A" and resid 167 and name HE21)) (( segid " A" and resid 167 and name HE22)) 2.000 0.500 0.500 peak 1679 spectrum 1 weight 0.10000E+01 volume 0.15949E-01 ppm1 6.734 ppm2 8.061 CV 1 ASSI { 1681} (( segid " A" and resid 167 and name HE21)) (( segid " A" and resid 171 and name HG2 )) 3.200 3.200 2.800 peak 1681 spectrum 1 weight 0.10000E+01 volume 0.10020E-02 ppm1 6.737 ppm2 2.682 CV 1 ASSI { 1683} (( segid " A" and resid 167 and name HE22)) (( segid " A" and resid 167 and name HG1 )) 3.700 1.700 1.700 peak 1683 spectrum 1 weight 0.10000E+01 volume 0.36552E-02 ppm1 8.063 ppm2 2.204 CV 1 ASSI { 1684} (( segid " A" and resid 167 and name HE21)) (( segid " A" and resid 167 and name HG2 )) 3.200 1.300 1.300 peak 1684 spectrum 1 weight 0.10000E+01 volume 0.23417E-02 ppm1 6.734 ppm2 2.360 CV 1 ASSI { 1685} (( segid " A" and resid 167 and name HE21)) (( segid " A" and resid 167 and name HG1 )) 2.700 0.900 0.900 peak 1685 spectrum 1 weight 0.10000E+01 volume 0.33911E-02 ppm1 6.735 ppm2 2.203 CV 1 ASSI { 1686} (( segid " A" and resid 167 and name HE22)) (( segid " A" and resid 167 and name HG2 )) 3.900 1.900 1.900 peak 1686 spectrum 1 weight 0.10000E+01 volume 0.26978E-02 ppm1 8.067 ppm2 2.365 CV 1 ASSI { 1687} (( segid " A" and resid 167 and name HE21)) ( segid " A" and resid 286 and name HG1%) 4.000 2.000 2.000 peak 1687 spectrum 1 weight 0.10000E+01 volume 0.13774E-02 ppm1 6.737 ppm2 0.818 CV 1 ASSI { 1688} (( segid " A" and resid 167 and name HE22)) ( segid " A" and resid 286 and name HG1%) 3.000 1.200 1.200 peak 1688 spectrum 1 weight 0.10000E+01 volume 0.12371E-02 ppm1 8.056 ppm2 0.818 CV 1 OR { 1688} (( segid " A" and resid 167 and name HE22)) ( segid " A" and resid 170 and name HD2%) OR { 1688} (( segid " A" and resid 167 and name HE22)) ( segid " A" and resid 170 and name HD1%) ASSI { 1689} (( segid " A" and resid 186 and name HN )) (( segid " A" and resid 186 and name HA1 )) 3.900 1.900 1.900 peak 1689 spectrum 1 weight 0.10000E+01 volume 0.98196E-03 ppm1 9.020 ppm2 4.523 CV 1 ASSI { 1690} (( segid " A" and resid 218 and name HE22)) (( segid " A" and resid 218 and name HE21)) 2.500 0.800 0.800 peak 1690 spectrum 1 weight 0.10000E+01 volume 0.42023E-02 ppm1 6.735 ppm2 7.415 CV 1 ASSI { 1692} (( segid " A" and resid 107 and name HN )) ( segid " A" and resid 197 and name HG2%) 3.900 1.900 1.900 peak 1692 spectrum 1 weight 0.10000E+01 volume 0.20120E-02 ppm1 7.840 ppm2 0.896 CV 1 ! 1. R 106 Phi -62.58 +/- 11.70 (-74.28 to -50.88)
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