NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
494607 | 2l3m | 17196 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 1} (( segid "ATXH" and resid 6 and name HE21)) (( segid "ATXH" and resid 6 and name HE22)) 1.900 0.500 0.500 peak 1 spectrum 1 weight 0.10000E+01 volume 0.13864E-01 ppm1 6.698 ppm2 7.327 CV 1 ASSI { 2} (( segid "ATXH" and resid 4 and name HA )) (( segid "ATXH" and resid 5 and name HN )) 2.100 0.500 0.500 peak 2 spectrum 1 weight 0.10000E+01 volume 0.11993E-01 ppm1 9.159 ppm2 5.171 CV 1 ASSI { 3} (( segid "ATXH" and resid 48 and name HA )) (( segid "ATXH" and resid 49 and name HN )) 2.000 0.500 0.500 peak 3 spectrum 1 weight 0.10000E+01 volume 0.11773E-01 ppm1 9.252 ppm2 5.237 CV 1 ASSI { 4} (( segid "ATXH" and resid 30 and name HA )) (( segid "ATXH" and resid 31 and name HN )) 2.100 0.500 0.500 peak 4 spectrum 1 weight 0.10000E+01 volume 0.10838E-01 ppm1 8.606 ppm2 4.185 CV 1 ASSI { 5} (( segid "ATXH" and resid 6 and name HA )) (( segid "ATXH" and resid 7 and name HN )) 2.100 0.500 0.500 peak 5 spectrum 1 weight 0.10000E+01 volume 0.10684E-01 ppm1 9.267 ppm2 5.192 CV 1 ASSI { 6} (( segid "ATXH" and resid 5 and name HA )) (( segid "ATXH" and resid 6 and name HN )) 2.100 0.600 0.600 peak 6 spectrum 1 weight 0.10000E+01 volume 0.10475E-01 ppm1 8.621 ppm2 4.627 CV 1 ASSI { 9} (( segid "ATXH" and resid 57 and name HB2 )) (( segid "ATXH" and resid 57 and name HN )) 2.100 0.600 0.600 peak 9 spectrum 1 weight 0.10000E+01 volume 0.10035E-01 ppm1 8.103 ppm2 1.754 CV 1 OR { 9} (( segid "ATXH" and resid 57 and name HB3 )) (( segid "ATXH" and resid 57 and name HN )) ASSI { 10} (( segid "ATXH" and resid 31 and name HA )) (( segid "ATXH" and resid 32 and name HN )) 2.100 0.600 0.600 peak 10 spectrum 1 weight 0.10000E+01 volume 0.99911E-02 ppm1 8.560 ppm2 4.436 CV 1 ASSI { 11} (( segid "ATXH" and resid 33 and name HB )) (( segid "ATXH" and resid 33 and name HN )) 2.100 0.600 0.600 peak 11 spectrum 1 weight 0.10000E+01 volume 0.97926E-02 ppm1 7.523 ppm2 2.257 CV 1 ASSI { 12} (( segid "ATXH" and resid 38 and name HA )) (( segid "ATXH" and resid 39 and name HN )) 2.100 0.500 0.500 peak 12 spectrum 1 weight 0.10000E+01 volume 0.95617E-02 ppm1 8.890 ppm2 4.327 CV 1 ASSI { 13} ( segid "ATXH" and resid 61 and name HB% ) (( segid "ATXH" and resid 61 and name HN )) 2.200 0.600 0.600 peak 13 spectrum 1 weight 0.10000E+01 volume 0.93854E-02 ppm1 7.709 ppm2 1.494 CV 1 ASSI { 14} (( segid "ATXH" and resid 54 and name HN )) (( segid "ATXH" and resid 53 and name HN )) 2.100 0.600 0.600 peak 14 spectrum 1 weight 0.10000E+01 volume 0.91984E-02 ppm1 7.800 ppm2 8.018 CV 1 ASSI { 15} ( segid "ATXH" and resid 55 and name HG2%) (( segid "ATXH" and resid 55 and name HN )) 2.200 0.600 0.600 peak 15 spectrum 1 weight 0.10000E+01 volume 0.86926E-02 ppm1 8.078 ppm2 1.172 CV 1 ASSI { 16} (( segid "ATXH" and resid 49 and name HA )) (( segid "ATXH" and resid 50 and name HN )) 2.200 0.600 0.600 peak 16 spectrum 1 weight 0.10000E+01 volume 0.86703E-02 ppm1 8.529 ppm2 5.300 CV 1 ASSI { 17} (( segid "ATXH" and resid 34 and name HN )) (( segid "ATXH" and resid 35 and name HN )) 2.200 0.600 0.600 peak 17 spectrum 1 weight 0.10000E+01 volume 0.86264E-02 ppm1 7.513 ppm2 8.780 CV 1 ASSI { 19} (( segid "ATXH" and resid 33 and name HA )) (( segid "ATXH" and resid 34 and name HN )) 2.100 0.600 0.600 peak 19 spectrum 1 weight 0.10000E+01 volume 0.85056E-02 ppm1 8.787 ppm2 4.069 CV 1 ASSI { 20} (( segid "ATXH" and resid 44 and name HA )) (( segid "ATXH" and resid 45 and name HN )) 2.200 0.600 0.600 peak 20 spectrum 1 weight 0.10000E+01 volume 0.83185E-02 ppm1 8.979 ppm2 5.496 CV 1 ASSI { 21} (( segid "ATXH" and resid 54 and name HA )) (( segid "ATXH" and resid 55 and name HN )) 2.200 0.600 0.600 peak 21 spectrum 1 weight 0.10000E+01 volume 0.76473E-02 ppm1 8.078 ppm2 4.647 CV 1 ASSI { 22} (( segid "ATXH" and resid 10 and name HA )) (( segid "ATXH" and resid 11 and name HN )) 2.200 0.600 0.600 peak 22 spectrum 1 weight 0.10000E+01 volume 0.73941E-02 ppm1 8.525 ppm2 4.655 CV 1 ASSI { 23} (( segid "ATXH" and resid 46 and name HA )) (( segid "ATXH" and resid 47 and name HN )) 2.200 0.600 0.600 peak 23 spectrum 1 weight 0.10000E+01 volume 0.72509E-02 ppm1 9.162 ppm2 5.245 CV 1 ASSI { 24} (( segid "ATXH" and resid 55 and name HA )) (( segid "ATXH" and resid 56 and name HN )) 2.300 0.600 0.600 peak 24 spectrum 1 weight 0.10000E+01 volume 0.71301E-02 ppm1 8.796 ppm2 4.833 CV 1 ASSI { 26} (( segid "ATXH" and resid 14 and name HB3 )) (( segid "ATXH" and resid 14 and name HN )) 2.700 0.900 0.900 peak 26 spectrum 1 weight 0.10000E+01 volume 0.67340E-02 ppm1 8.890 ppm2 1.418 CV 1 ASSI { 27} (( segid "ATXH" and resid 28 and name HB2 )) (( segid "ATXH" and resid 28 and name HN )) 2.200 0.600 0.600 peak 27 spectrum 1 weight 0.10000E+01 volume 0.66789E-02 ppm1 7.699 ppm2 1.865 CV 1 OR { 27} (( segid "ATXH" and resid 28 and name HB3 )) (( segid "ATXH" and resid 28 and name HN )) ASSI { 28} (( segid "ATXH" and resid 62 and name HB )) (( segid "ATXH" and resid 62 and name HN )) 2.300 0.600 0.600 peak 28 spectrum 1 weight 0.10000E+01 volume 0.65249E-02 ppm1 7.188 ppm2 2.192 CV 1 ASSI { 29} (( segid "ATXH" and resid 29 and name HB2 )) (( segid "ATXH" and resid 29 and name HN )) 2.300 0.700 0.700 peak 29 spectrum 1 weight 0.10000E+01 volume 0.62278E-02 ppm1 6.875 ppm2 2.025 CV 1 OR { 29} (( segid "ATXH" and resid 29 and name HB3 )) (( segid "ATXH" and resid 29 and name HN )) ASSI { 32} ( segid "ATXH" and resid 54 and name HG2%) (( segid "ATXH" and resid 54 and name HN )) 2.700 0.900 0.900 peak 32 spectrum 1 weight 0.10000E+01 volume 0.61288E-02 ppm1 8.018 ppm2 0.737 CV 1 ASSI { 33} (( segid "ATXH" and resid 35 and name HA )) (( segid "ATXH" and resid 36 and name HN )) 2.300 0.700 0.700 peak 33 spectrum 1 weight 0.10000E+01 volume 0.60297E-02 ppm1 8.666 ppm2 4.619 CV 1 ASSI { 35} (( segid "ATXH" and resid 35 and name HB2 )) (( segid "ATXH" and resid 35 and name HN )) 2.300 0.700 0.700 peak 35 spectrum 1 weight 0.10000E+01 volume 0.58977E-02 ppm1 7.508 ppm2 2.309 CV 1 OR { 35} (( segid "ATXH" and resid 35 and name HG2 )) (( segid "ATXH" and resid 35 and name HN )) ASSI { 36} (( segid "ATXH" and resid 35 and name HG3 )) (( segid "ATXH" and resid 35 and name HN )) 2.500 0.800 0.800 peak 36 spectrum 1 weight 0.10000E+01 volume 0.58647E-02 ppm1 7.513 ppm2 1.933 CV 1 OR { 36} (( segid "ATXH" and resid 35 and name HB3 )) (( segid "ATXH" and resid 35 and name HN )) ASSI { 37} (( segid "ATXH" and resid 49 and name HB )) (( segid "ATXH" and resid 50 and name HN )) 2.300 0.600 0.600 peak 37 spectrum 1 weight 0.10000E+01 volume 0.57217E-02 ppm1 8.529 ppm2 1.559 CV 1 ASSI { 38} (( segid "ATXH" and resid 58 and name HB2 )) (( segid "ATXH" and resid 58 and name HN )) 2.300 0.700 0.700 peak 38 spectrum 1 weight 0.10000E+01 volume 0.53695E-02 ppm1 7.582 ppm2 3.011 CV 1 ASSI { 39} (( segid "ATXH" and resid 50 and name HA )) (( segid "ATXH" and resid 51 and name HN )) 2.300 0.700 0.700 peak 39 spectrum 1 weight 0.10000E+01 volume 0.53695E-02 ppm1 8.793 ppm2 5.034 CV 1 ASSI { 40} (( segid "ATXH" and resid 53 and name HN )) (( segid "ATXH" and resid 52 and name HN )) 2.400 0.700 0.700 peak 40 spectrum 1 weight 0.10000E+01 volume 0.53586E-02 ppm1 8.773 ppm2 7.807 CV 1 ASSI { 41} (( segid "ATXH" and resid 47 and name HA )) (( segid "ATXH" and resid 48 and name HN )) 2.300 0.700 0.700 peak 41 spectrum 1 weight 0.10000E+01 volume 0.52705E-02 ppm1 8.715 ppm2 5.076 CV 1 ASSI { 42} (( segid "ATXH" and resid 31 and name HB3 )) (( segid "ATXH" and resid 31 and name HN )) 2.400 0.700 0.700 peak 42 spectrum 1 weight 0.10000E+01 volume 0.52595E-02 ppm1 8.606 ppm2 2.673 CV 1 ASSI { 43} (( segid "ATXH" and resid 3 and name HA )) (( segid "ATXH" and resid 4 and name HN )) 2.400 0.700 0.700 peak 43 spectrum 1 weight 0.10000E+01 volume 0.52045E-02 ppm1 8.150 ppm2 4.404 CV 1 ASSI { 44} (( segid "ATXH" and resid 4 and name HB2 )) (( segid "ATXH" and resid 4 and name HN )) 2.400 0.700 0.700 peak 44 spectrum 1 weight 0.10000E+01 volume 0.51385E-02 ppm1 8.150 ppm2 1.953 CV 1 ASSI { 45} ( segid "ATXH" and resid 62 and name HG1%) (( segid "ATXH" and resid 62 and name HN )) 2.800 1.000 1.000 peak 45 spectrum 1 weight 0.10000E+01 volume 0.50945E-02 ppm1 7.187 ppm2 1.151 CV 1 ASSI { 46} (( segid "ATXH" and resid 55 and name HB )) (( segid "ATXH" and resid 56 and name HN )) 2.400 0.700 0.700 peak 46 spectrum 1 weight 0.10000E+01 volume 0.50615E-02 ppm1 8.795 ppm2 4.422 CV 1 ASSI { 47} (( segid "ATXH" and resid 69 and name HA )) (( segid "ATXH" and resid 70 and name HN )) 2.400 0.700 0.700 peak 47 spectrum 1 weight 0.10000E+01 volume 0.50064E-02 ppm1 9.466 ppm2 5.037 CV 1 ASSI { 49} (( segid "ATXH" and resid 39 and name HA )) (( segid "ATXH" and resid 38 and name HN )) 2.500 2.500 3.500 peak 49 spectrum 1 weight 0.10000E+01 volume 0.49185E-02 ppm1 9.834 ppm2 4.760 CV 1 ASSI { 50} (( segid "ATXH" and resid 32 and name HN )) (( segid "ATXH" and resid 33 and name HN )) 2.400 0.700 0.700 peak 50 spectrum 1 weight 0.10000E+01 volume 0.48744E-02 ppm1 7.522 ppm2 8.560 CV 1 ASSI { 52} (( segid "ATXH" and resid 68 and name HA )) (( segid "ATXH" and resid 69 and name HN )) 2.400 0.700 0.700 peak 52 spectrum 1 weight 0.10000E+01 volume 0.48634E-02 ppm1 7.900 ppm2 4.636 CV 1 ASSI { 54} ( segid "ATXH" and resid 27 and name HG2%) (( segid "ATXH" and resid 27 and name HN )) 2.400 0.700 0.700 peak 54 spectrum 1 weight 0.10000E+01 volume 0.47974E-02 ppm1 8.177 ppm2 0.907 CV 1 ASSI { 55} (( segid "ATXH" and resid 56 and name HB3 )) (( segid "ATXH" and resid 56 and name HN )) 2.500 2.500 3.500 peak 55 spectrum 1 weight 0.10000E+01 volume 0.47644E-02 ppm1 8.796 ppm2 1.591 CV 1 ASSI { 56} (( segid "ATXH" and resid 60 and name HB )) (( segid "ATXH" and resid 61 and name HN )) 2.400 0.700 0.700 peak 56 spectrum 1 weight 0.10000E+01 volume 0.47534E-02 ppm1 7.709 ppm2 2.017 CV 1 ASSI { 57} (( segid "ATXH" and resid 8 and name HA )) (( segid "ATXH" and resid 9 and name HN )) 2.400 0.700 0.700 peak 57 spectrum 1 weight 0.10000E+01 volume 0.47204E-02 ppm1 9.295 ppm2 4.877 CV 1 ASSI { 58} (( segid "ATXH" and resid 59 and name HB )) (( segid "ATXH" and resid 59 and name HN )) 2.400 0.700 0.700 peak 58 spectrum 1 weight 0.10000E+01 volume 0.46984E-02 ppm1 7.360 ppm2 2.009 CV 1 ASSI { 59} (( segid "ATXH" and resid 43 and name HA1 )) (( segid "ATXH" and resid 43 and name HN )) 2.400 0.700 0.700 peak 59 spectrum 1 weight 0.10000E+01 volume 0.46874E-02 ppm1 7.942 ppm2 3.628 CV 1 ASSI { 60} (( segid "ATXH" and resid 32 and name HA1 )) (( segid "ATXH" and resid 32 and name HN )) 2.400 0.700 0.700 peak 60 spectrum 1 weight 0.10000E+01 volume 0.46544E-02 ppm1 8.561 ppm2 3.662 CV 1 ASSI { 62} ( segid "ATXH" and resid 23 and name HG2%) (( segid "ATXH" and resid 24 and name HN )) 2.400 0.700 0.700 peak 62 spectrum 1 weight 0.10000E+01 volume 0.45553E-02 ppm1 8.601 ppm2 0.551 CV 1 ASSI { 65} (( segid "ATXH" and resid 50 and name HB2 )) (( segid "ATXH" and resid 50 and name HN )) 2.500 0.800 0.800 peak 65 spectrum 1 weight 0.10000E+01 volume 0.44123E-02 ppm1 8.530 ppm2 2.943 CV 1 ASSI { 66} (( segid "ATXH" and resid 57 and name HN )) (( segid "ATXH" and resid 58 and name HN )) 2.500 0.800 0.800 peak 66 spectrum 1 weight 0.10000E+01 volume 0.43793E-02 ppm1 7.582 ppm2 8.097 CV 1 ASSI { 67} ( segid "ATXH" and resid 60 and name HG1%) (( segid "ATXH" and resid 60 and name HN )) 2.900 1.100 1.100 peak 67 spectrum 1 weight 0.10000E+01 volume 0.43683E-02 ppm1 8.537 ppm2 0.981 CV 1 ASSI { 68} (( segid "ATXH" and resid 27 and name HB )) (( segid "ATXH" and resid 27 and name HN )) 2.400 0.700 0.700 peak 68 spectrum 1 weight 0.10000E+01 volume 0.43573E-02 ppm1 8.177 ppm2 2.069 CV 1 ASSI { 69} (( segid "ATXH" and resid 64 and name HB2 )) (( segid "ATXH" and resid 64 and name HN )) 2.400 0.700 0.700 peak 69 spectrum 1 weight 0.10000E+01 volume 0.43133E-02 ppm1 9.007 ppm2 2.109 CV 1 ASSI { 71} (( segid "ATXH" and resid 63 and name HB )) (( segid "ATXH" and resid 63 and name HN )) 2.400 0.700 0.700 peak 71 spectrum 1 weight 0.10000E+01 volume 0.42583E-02 ppm1 7.636 ppm2 1.812 CV 1 ASSI { 72} (( segid "ATXH" and resid 65 and name HB2 )) (( segid "ATXH" and resid 65 and name HN )) 2.500 0.800 0.800 peak 72 spectrum 1 weight 0.10000E+01 volume 0.42362E-02 ppm1 8.427 ppm2 2.908 CV 1 ASSI { 75} (( segid "ATXH" and resid 21 and name HB2 )) (( segid "ATXH" and resid 21 and name HN )) 2.500 0.800 0.800 peak 75 spectrum 1 weight 0.10000E+01 volume 0.41702E-02 ppm1 7.836 ppm2 2.799 CV 1 OR { 75} (( segid "ATXH" and resid 21 and name HB3 )) (( segid "ATXH" and resid 21 and name HN )) ASSI { 76} (( segid "ATXH" and resid 67 and name HA1 )) (( segid "ATXH" and resid 67 and name HN )) 2.400 0.700 0.700 peak 76 spectrum 1 weight 0.10000E+01 volume 0.41702E-02 ppm1 7.883 ppm2 3.548 CV 1 ASSI { 77} ( segid "ATXH" and resid 22 and name HB% ) (( segid "ATXH" and resid 22 and name HN )) 2.500 0.800 0.800 peak 77 spectrum 1 weight 0.10000E+01 volume 0.41042E-02 ppm1 8.535 ppm2 1.589 CV 1 ASSI { 78} ( segid "ATXH" and resid 61 and name HB% ) (( segid "ATXH" and resid 62 and name HN )) 2.500 0.800 0.800 peak 78 spectrum 1 weight 0.10000E+01 volume 0.40272E-02 ppm1 7.187 ppm2 1.496 CV 1 ASSI { 79} (( segid "ATXH" and resid 4 and name HG3 )) (( segid "ATXH" and resid 4 and name HN )) 3.000 1.100 1.100 peak 79 spectrum 1 weight 0.10000E+01 volume 0.39832E-02 ppm1 8.150 ppm2 2.447 CV 1 ASSI { 81} (( segid "ATXH" and resid 49 and name HG12)) (( segid "ATXH" and resid 49 and name HN )) 2.500 0.800 0.800 peak 81 spectrum 1 weight 0.10000E+01 volume 0.38622E-02 ppm1 9.252 ppm2 0.873 CV 1 ASSI { 82} (( segid "ATXH" and resid 68 and name HB3 )) (( segid "ATXH" and resid 68 and name HN )) 2.900 1.100 1.100 peak 82 spectrum 1 weight 0.10000E+01 volume 0.38622E-02 ppm1 6.775 ppm2 2.272 CV 1 ASSI { 83} ( segid "ATXH" and resid 49 and name HG2%) (( segid "ATXH" and resid 49 and name HN )) 2.500 0.800 0.800 peak 83 spectrum 1 weight 0.10000E+01 volume 0.38071E-02 ppm1 9.253 ppm2 0.708 CV 1 ASSI { 84} (( segid "ATXH" and resid 61 and name HA )) (( segid "ATXH" and resid 61 and name HN )) 2.600 0.800 0.800 peak 84 spectrum 1 weight 0.10000E+01 volume 0.38071E-02 ppm1 7.710 ppm2 4.201 CV 1 ASSI { 86} ( segid "ATXH" and resid 53 and name HG2%) (( segid "ATXH" and resid 53 and name HN )) 2.700 0.900 0.900 peak 86 spectrum 1 weight 0.10000E+01 volume 0.37741E-02 ppm1 7.801 ppm2 0.815 CV 1 OR { 86} ( segid "ATXH" and resid 53 and name HG1%) (( segid "ATXH" and resid 53 and name HN )) ASSI { 87} (( segid "ATXH" and resid 48 and name HB )) (( segid "ATXH" and resid 35 and name HN )) 2.500 0.800 0.800 peak 87 spectrum 1 weight 0.10000E+01 volume 0.37081E-02 ppm1 7.512 ppm2 3.882 CV 1 ASSI { 89} (( segid "ATXH" and resid 58 and name HN )) (( segid "ATXH" and resid 59 and name HN )) 2.500 0.800 0.800 peak 89 spectrum 1 weight 0.10000E+01 volume 0.36860E-02 ppm1 7.360 ppm2 7.583 CV 1 ASSI { 91} ( segid "ATXH" and resid 30 and name HD2%) (( segid "ATXH" and resid 30 and name HN )) 2.600 0.900 0.900 peak 91 spectrum 1 weight 0.10000E+01 volume 0.36641E-02 ppm1 7.448 ppm2 0.852 CV 1 OR { 91} ( segid "ATXH" and resid 30 and name HD1%) (( segid "ATXH" and resid 30 and name HN )) ASSI { 92} (( segid "ATXH" and resid 66 and name HN )) (( segid "ATXH" and resid 67 and name HN )) 2.500 0.800 0.800 peak 92 spectrum 1 weight 0.10000E+01 volume 0.36421E-02 ppm1 7.880 ppm2 7.508 CV 1 ASSI { 93} ( segid "ATXH" and resid 38 and name HG1%) (( segid "ATXH" and resid 20 and name HN )) 2.900 2.900 3.100 peak 93 spectrum 1 weight 0.10000E+01 volume 0.36311E-02 ppm1 7.018 ppm2 0.993 CV 1 ASSI { 94} (( segid "ATXH" and resid 10 and name HB3 )) (( segid "ATXH" and resid 10 and name HN )) 2.600 2.600 3.400 peak 94 spectrum 1 weight 0.10000E+01 volume 0.36201E-02 ppm1 9.034 ppm2 1.965 CV 1 ASSI { 96} (( segid "ATXH" and resid 43 and name HN )) (( segid "ATXH" and resid 42 and name HN )) 2.500 0.800 0.800 peak 96 spectrum 1 weight 0.10000E+01 volume 0.35870E-02 ppm1 7.561 ppm2 7.950 CV 1 ASSI { 97} ( segid "ATXH" and resid 33 and name HG2%) (( segid "ATXH" and resid 35 and name HN )) 2.800 1.000 1.000 peak 97 spectrum 1 weight 0.10000E+01 volume 0.35760E-02 ppm1 7.513 ppm2 0.643 CV 1 ASSI { 98} (( segid "ATXH" and resid 57 and name HB3 )) (( segid "ATXH" and resid 58 and name HN )) 2.600 0.800 0.800 peak 98 spectrum 1 weight 0.10000E+01 volume 0.35430E-02 ppm1 7.580 ppm2 1.741 CV 1 OR { 98} (( segid "ATXH" and resid 57 and name HB2 )) (( segid "ATXH" and resid 58 and name HN )) ASSI { 99} (( segid "ATXH" and resid 53 and name HB )) (( segid "ATXH" and resid 53 and name HN )) 2.600 0.800 0.800 peak 99 spectrum 1 weight 0.10000E+01 volume 0.35320E-02 ppm1 7.801 ppm2 1.996 CV 1 ASSI { 100} (( segid "ATXH" and resid 62 and name HA )) (( segid "ATXH" and resid 62 and name HN )) 2.600 0.800 0.800 peak 100 spectrum 1 weight 0.10000E+01 volume 0.35210E-02 ppm1 7.187 ppm2 3.873 CV 1 ASSI { 103} (( segid "ATXH" and resid 59 and name HG12)) (( segid "ATXH" and resid 59 and name HN )) 2.500 0.800 0.800 peak 103 spectrum 1 weight 0.10000E+01 volume 0.34990E-02 ppm1 7.360 ppm2 1.561 CV 1 ASSI { 104} (( segid "ATXH" and resid 56 and name HB2 )) (( segid "ATXH" and resid 56 and name HN )) 2.600 0.800 0.800 peak 104 spectrum 1 weight 0.10000E+01 volume 0.34880E-02 ppm1 8.796 ppm2 1.742 CV 1 ASSI { 105} (( segid "ATXH" and resid 6 and name HB2 )) (( segid "ATXH" and resid 6 and name HN )) 2.500 0.800 0.800 peak 105 spectrum 1 weight 0.10000E+01 volume 0.34770E-02 ppm1 8.621 ppm2 1.993 CV 1 OR { 105} (( segid "ATXH" and resid 6 and name HG3 )) (( segid "ATXH" and resid 6 and name HN )) ASSI { 108} (( segid "ATXH" and resid 44 and name HB )) (( segid "ATXH" and resid 45 and name HN )) 2.500 0.800 0.800 peak 108 spectrum 1 weight 0.10000E+01 volume 0.33780E-02 ppm1 8.975 ppm2 3.980 CV 1 ASSI { 109} ( segid "ATXH" and resid 33 and name HG2%) (( segid "ATXH" and resid 34 and name HN )) 3.000 1.200 1.200 peak 109 spectrum 1 weight 0.10000E+01 volume 0.33670E-02 ppm1 8.787 ppm2 0.655 CV 1 ASSI { 113} (( segid "ATXH" and resid 67 and name HN )) (( segid "ATXH" and resid 68 and name HN )) 2.500 0.800 0.800 peak 113 spectrum 1 weight 0.10000E+01 volume 0.33450E-02 ppm1 6.775 ppm2 7.889 CV 1 ASSI { 114} (( segid "ATXH" and resid 20 and name HB )) (( segid "ATXH" and resid 20 and name HN )) 2.600 0.800 0.800 peak 114 spectrum 1 weight 0.10000E+01 volume 0.33340E-02 ppm1 7.018 ppm2 2.242 CV 1 ASSI { 115} (( segid "ATXH" and resid 11 and name HA )) (( segid "ATXH" and resid 12 and name HN )) 2.600 0.800 0.800 peak 115 spectrum 1 weight 0.10000E+01 volume 0.33230E-02 ppm1 9.284 ppm2 4.766 CV 1 ASSI { 116} (( segid "ATXH" and resid 60 and name HN )) (( segid "ATXH" and resid 59 and name HN )) 2.500 0.800 0.800 peak 116 spectrum 1 weight 0.10000E+01 volume 0.33230E-02 ppm1 7.360 ppm2 8.537 CV 1 ASSI { 119} (( segid "ATXH" and resid 30 and name HN )) (( segid "ATXH" and resid 29 and name HN )) 2.600 0.800 0.800 peak 119 spectrum 1 weight 0.10000E+01 volume 0.32350E-02 ppm1 6.874 ppm2 7.457 CV 1 ASSI { 121} (( segid "ATXH" and resid 42 and name HB3 )) (( segid "ATXH" and resid 42 and name HN )) 2.900 1.000 1.000 peak 121 spectrum 1 weight 0.10000E+01 volume 0.32130E-02 ppm1 7.560 ppm2 1.907 CV 1 ASSI { 123} (( segid "ATXH" and resid 7 and name HB2 )) (( segid "ATXH" and resid 7 and name HN )) 2.500 0.800 0.800 peak 123 spectrum 1 weight 0.10000E+01 volume 0.31469E-02 ppm1 9.266 ppm2 1.573 CV 1 ASSI { 124} (( segid "ATXH" and resid 64 and name HG2 )) (( segid "ATXH" and resid 64 and name HN )) 3.000 1.100 1.100 peak 124 spectrum 1 weight 0.10000E+01 volume 0.31249E-02 ppm1 9.007 ppm2 2.704 CV 1 ASSI { 125} (( segid "ATXH" and resid 31 and name HA )) (( segid "ATXH" and resid 31 and name HN )) 2.600 0.900 0.900 peak 125 spectrum 1 weight 0.10000E+01 volume 0.30919E-02 ppm1 8.606 ppm2 4.436 CV 1 ASSI { 126} (( segid "ATXH" and resid 62 and name HN )) (( segid "ATXH" and resid 61 and name HN )) 2.600 0.800 0.800 peak 126 spectrum 1 weight 0.10000E+01 volume 0.30919E-02 ppm1 7.708 ppm2 7.187 CV 1 ASSI { 127} ( segid "ATXH" and resid 62 and name HG2%) (( segid "ATXH" and resid 62 and name HN )) 2.600 0.900 0.900 peak 127 spectrum 1 weight 0.10000E+01 volume 0.30699E-02 ppm1 7.187 ppm2 0.887 CV 1 ASSI { 128} (( segid "ATXH" and resid 25 and name HB2 )) (( segid "ATXH" and resid 25 and name HN )) 2.700 0.900 0.900 peak 128 spectrum 1 weight 0.10000E+01 volume 0.30589E-02 ppm1 8.210 ppm2 3.930 CV 1 ASSI { 129} (( segid "ATXH" and resid 50 and name HB3 )) (( segid "ATXH" and resid 50 and name HN )) 2.600 0.900 0.900 peak 129 spectrum 1 weight 0.10000E+01 volume 0.30369E-02 ppm1 8.529 ppm2 2.473 CV 1 ASSI { 131} (( segid "ATXH" and resid 27 and name HN )) (( segid "ATXH" and resid 28 and name HN )) 2.600 0.800 0.800 peak 131 spectrum 1 weight 0.10000E+01 volume 0.30369E-02 ppm1 7.697 ppm2 8.179 CV 1 ASSI { 132} ( segid "ATXH" and resid 70 and name HG2%) (( segid "ATXH" and resid 71 and name HN )) 2.800 1.000 1.000 peak 132 spectrum 1 weight 0.10000E+01 volume 0.30259E-02 ppm1 8.788 ppm2 0.965 CV 1 OR { 132} ( segid "ATXH" and resid 70 and name HG1%) (( segid "ATXH" and resid 71 and name HN )) ASSI { 133} (( segid "ATXH" and resid 23 and name HB )) (( segid "ATXH" and resid 24 and name HN )) 2.800 1.000 1.000 peak 133 spectrum 1 weight 0.10000E+01 volume 0.30039E-02 ppm1 8.600 ppm2 1.641 CV 1 OR { 133} (( segid "ATXH" and resid 23 and name HG12)) (( segid "ATXH" and resid 24 and name HN )) ASSI { 135} (( segid "ATXH" and resid 43 and name HA2 )) (( segid "ATXH" and resid 43 and name HN )) 2.800 1.000 1.000 peak 135 spectrum 1 weight 0.10000E+01 volume 0.29929E-02 ppm1 7.943 ppm2 4.055 CV 1 ASSI { 138} (( segid "ATXH" and resid 40 and name HB2 )) (( segid "ATXH" and resid 40 and name HN )) 2.600 0.800 0.800 peak 138 spectrum 1 weight 0.10000E+01 volume 0.29599E-02 ppm1 8.606 ppm2 1.572 CV 1 ASSI { 139} (( segid "ATXH" and resid 10 and name HB2 )) (( segid "ATXH" and resid 10 and name HN )) 2.800 1.000 1.000 peak 139 spectrum 1 weight 0.10000E+01 volume 0.29379E-02 ppm1 9.034 ppm2 2.092 CV 1 ASSI { 140} ( segid "ATXH" and resid 41 and name HB% ) (( segid "ATXH" and resid 42 and name HN )) 2.700 0.900 0.900 peak 140 spectrum 1 weight 0.10000E+01 volume 0.29268E-02 ppm1 7.560 ppm2 1.374 CV 1 ASSI { 141} (( segid "ATXH" and resid 34 and name HB3 )) (( segid "ATXH" and resid 34 and name HN )) 2.600 0.800 0.800 peak 141 spectrum 1 weight 0.10000E+01 volume 0.29268E-02 ppm1 8.787 ppm2 1.678 CV 1 ASSI { 142} (( segid "ATXH" and resid 42 and name HB2 )) (( segid "ATXH" and resid 42 and name HN )) 2.600 0.800 0.800 peak 142 spectrum 1 weight 0.10000E+01 volume 0.28828E-02 ppm1 7.561 ppm2 2.085 CV 1 ASSI { 144} (( segid "ATXH" and resid 58 and name HB2 )) (( segid "ATXH" and resid 59 and name HN )) 2.600 0.800 0.800 peak 144 spectrum 1 weight 0.10000E+01 volume 0.28718E-02 ppm1 7.361 ppm2 3.009 CV 1 ASSI { 146} (( segid "ATXH" and resid 38 and name HB )) (( segid "ATXH" and resid 38 and name HN )) 2.600 0.900 0.900 peak 146 spectrum 1 weight 0.10000E+01 volume 0.28608E-02 ppm1 9.833 ppm2 2.082 CV 1 ASSI { 147} (( segid "ATXH" and resid 69 and name HB3 )) (( segid "ATXH" and resid 69 and name HN )) 2.900 1.000 1.000 peak 147 spectrum 1 weight 0.10000E+01 volume 0.28498E-02 ppm1 7.901 ppm2 2.443 CV 1 ASSI { 148} (( segid "ATXH" and resid 46 and name HA )) (( segid "ATXH" and resid 46 and name HN )) 2.600 0.900 0.900 peak 148 spectrum 1 weight 0.10000E+01 volume 0.28168E-02 ppm1 9.023 ppm2 5.249 CV 1 ASSI { 149} (( segid "ATXH" and resid 59 and name HG13)) (( segid "ATXH" and resid 59 and name HN )) 2.900 1.000 1.000 peak 149 spectrum 1 weight 0.10000E+01 volume 0.27838E-02 ppm1 7.359 ppm2 1.050 CV 1 ASSI { 150} (( segid "ATXH" and resid 43 and name HN )) (( segid "ATXH" and resid 44 and name HN )) 2.600 0.900 0.900 peak 150 spectrum 1 weight 0.10000E+01 volume 0.27508E-02 ppm1 7.596 ppm2 7.941 CV 1 ASSI { 151} (( segid "ATXH" and resid 20 and name HB )) (( segid "ATXH" and resid 21 and name HN )) 2.700 0.900 0.900 peak 151 spectrum 1 weight 0.10000E+01 volume 0.27288E-02 ppm1 7.836 ppm2 2.241 CV 1 ASSI { 152} (( segid "ATXH" and resid 40 and name HB3 )) (( segid "ATXH" and resid 40 and name HN )) 2.800 0.900 0.900 peak 152 spectrum 1 weight 0.10000E+01 volume 0.27288E-02 ppm1 8.609 ppm2 1.418 CV 1 ASSI { 153} (( segid "ATXH" and resid 59 and name HA )) (( segid "ATXH" and resid 59 and name HN )) 2.700 0.900 0.900 peak 153 spectrum 1 weight 0.10000E+01 volume 0.27288E-02 ppm1 7.360 ppm2 3.489 CV 1 ASSI { 154} (( segid "ATXH" and resid 24 and name HB3 )) (( segid "ATXH" and resid 24 and name HN )) 2.600 0.800 0.800 peak 154 spectrum 1 weight 0.10000E+01 volume 0.27288E-02 ppm1 8.599 ppm2 1.915 CV 1 ASSI { 155} (( segid "ATXH" and resid 53 and name HB )) (( segid "ATXH" and resid 54 and name HN )) 2.500 0.800 0.800 peak 155 spectrum 1 weight 0.10000E+01 volume 0.26407E-02 ppm1 8.022 ppm2 2.003 CV 1 ASSI { 156} (( segid "ATXH" and resid 34 and name HB2 )) (( segid "ATXH" and resid 34 and name HN )) 2.700 0.900 0.900 peak 156 spectrum 1 weight 0.10000E+01 volume 0.26298E-02 ppm1 8.787 ppm2 1.869 CV 1 ASSI { 157} (( segid "ATXH" and resid 10 and name HG2 )) (( segid "ATXH" and resid 10 and name HN )) 2.700 0.900 0.900 peak 157 spectrum 1 weight 0.10000E+01 volume 0.26188E-02 ppm1 9.033 ppm2 2.285 CV 1 OR { 157} (( segid "ATXH" and resid 10 and name HG3 )) (( segid "ATXH" and resid 10 and name HN )) ASSI { 158} (( segid "ATXH" and resid 60 and name HN )) (( segid "ATXH" and resid 61 and name HN )) 2.700 0.900 0.900 peak 158 spectrum 1 weight 0.10000E+01 volume 0.26078E-02 ppm1 7.710 ppm2 8.536 CV 1 ASSI { 159} (( segid "ATXH" and resid 14 and name HG3 )) (( segid "ATXH" and resid 14 and name HN )) 2.700 0.900 0.900 peak 159 spectrum 1 weight 0.10000E+01 volume 0.26078E-02 ppm1 8.890 ppm2 2.055 CV 1 OR { 159} (( segid "ATXH" and resid 14 and name HG2 )) (( segid "ATXH" and resid 14 and name HN )) ASSI { 160} (( segid "ATXH" and resid 6 and name HA )) (( segid "ATXH" and resid 6 and name HN )) 2.700 0.900 0.900 peak 160 spectrum 1 weight 0.10000E+01 volume 0.25968E-02 ppm1 8.620 ppm2 5.191 CV 1 ASSI { 163} (( segid "ATXH" and resid 70 and name HB )) (( segid "ATXH" and resid 70 and name HN )) 2.800 1.000 1.000 peak 163 spectrum 1 weight 0.10000E+01 volume 0.25858E-02 ppm1 9.465 ppm2 2.089 CV 1 ASSI { 164} (( segid "ATXH" and resid 64 and name HN )) (( segid "ATXH" and resid 65 and name HN )) 2.700 0.900 0.900 peak 164 spectrum 1 weight 0.10000E+01 volume 0.25638E-02 ppm1 8.427 ppm2 9.011 CV 1 ASSI { 165} (( segid "ATXH" and resid 32 and name HA2 )) (( segid "ATXH" and resid 32 and name HN )) 2.900 1.000 1.000 peak 165 spectrum 1 weight 0.10000E+01 volume 0.25638E-02 ppm1 8.561 ppm2 4.227 CV 1 ASSI { 166} (( segid "ATXH" and resid 52 and name HA )) (( segid "ATXH" and resid 52 and name HN )) 2.800 0.900 0.900 peak 166 spectrum 1 weight 0.10000E+01 volume 0.25528E-02 ppm1 8.773 ppm2 4.467 CV 1 ASSI { 168} (( segid "ATXH" and resid 25 and name HA )) (( segid "ATXH" and resid 25 and name HN )) 2.700 0.900 0.900 peak 168 spectrum 1 weight 0.10000E+01 volume 0.25307E-02 ppm1 8.210 ppm2 4.054 CV 1 ASSI { 169} (( segid "ATXH" and resid 53 and name HA )) (( segid "ATXH" and resid 53 and name HN )) 2.700 0.900 0.900 peak 169 spectrum 1 weight 0.10000E+01 volume 0.25307E-02 ppm1 7.801 ppm2 4.173 CV 1 ASSI { 170} (( segid "ATXH" and resid 30 and name HA )) (( segid "ATXH" and resid 30 and name HN )) 2.700 0.900 0.900 peak 170 spectrum 1 weight 0.10000E+01 volume 0.24977E-02 ppm1 7.448 ppm2 4.187 CV 1 ASSI { 172} (( segid "ATXH" and resid 9 and name HN )) (( segid "ATXH" and resid 45 and name HN )) 2.700 0.900 0.900 peak 172 spectrum 1 weight 0.10000E+01 volume 0.24207E-02 ppm1 8.973 ppm2 9.278 CV 1 ASSI { 173} ( segid "ATXH" and resid 33 and name HG2%) (( segid "ATXH" and resid 33 and name HN )) 2.800 0.900 0.900 peak 173 spectrum 1 weight 0.10000E+01 volume 0.24097E-02 ppm1 7.522 ppm2 0.679 CV 1 ASSI { 174} (( segid "ATXH" and resid 34 and name HB3 )) (( segid "ATXH" and resid 35 and name HN )) 2.600 0.800 0.800 peak 174 spectrum 1 weight 0.10000E+01 volume 0.24097E-02 ppm1 7.513 ppm2 1.679 CV 1 ASSI { 175} (( segid "ATXH" and resid 48 and name HA )) (( segid "ATXH" and resid 48 and name HN )) 2.700 0.900 0.900 peak 175 spectrum 1 weight 0.10000E+01 volume 0.23987E-02 ppm1 8.716 ppm2 5.234 CV 1 ASSI { 177} (( segid "ATXH" and resid 39 and name HA )) (( segid "ATXH" and resid 40 and name HN )) 2.700 0.900 0.900 peak 177 spectrum 1 weight 0.10000E+01 volume 0.23877E-02 ppm1 8.608 ppm2 4.725 CV 1 ASSI { 178} (( segid "ATXH" and resid 27 and name HB )) (( segid "ATXH" and resid 28 and name HN )) 2.700 0.900 0.900 peak 178 spectrum 1 weight 0.10000E+01 volume 0.23877E-02 ppm1 7.699 ppm2 2.064 CV 1 ASSI { 179} (( segid "ATXH" and resid 58 and name HA )) (( segid "ATXH" and resid 58 and name HN )) 2.800 1.000 1.000 peak 179 spectrum 1 weight 0.10000E+01 volume 0.23767E-02 ppm1 7.582 ppm2 4.367 CV 1 ASSI { 180} (( segid "ATXH" and resid 39 and name HB2 )) (( segid "ATXH" and resid 39 and name HN )) 2.600 0.800 0.800 peak 180 spectrum 1 weight 0.10000E+01 volume 0.23767E-02 ppm1 8.892 ppm2 2.330 CV 1 ASSI { 182} (( segid "ATXH" and resid 12 and name HB3 )) (( segid "ATXH" and resid 12 and name HN )) 2.900 1.100 1.100 peak 182 spectrum 1 weight 0.10000E+01 volume 0.23547E-02 ppm1 9.284 ppm2 1.972 CV 1 ASSI { 185} (( segid "ATXH" and resid 45 and name HB )) (( segid "ATXH" and resid 45 and name HN )) 2.700 0.900 0.900 peak 185 spectrum 1 weight 0.10000E+01 volume 0.23437E-02 ppm1 8.974 ppm2 1.732 CV 1 ASSI { 186} (( segid "ATXH" and resid 67 and name HA2 )) (( segid "ATXH" and resid 67 and name HN )) 2.900 1.100 1.100 peak 186 spectrum 1 weight 0.10000E+01 volume 0.23327E-02 ppm1 7.881 ppm2 3.957 CV 1 ASSI { 187} (( segid "ATXH" and resid 30 and name HB3 )) (( segid "ATXH" and resid 30 and name HN )) 3.300 1.400 1.400 peak 187 spectrum 1 weight 0.10000E+01 volume 0.23217E-02 ppm1 7.447 ppm2 1.309 CV 1 ASSI { 188} (( segid "ATXH" and resid 26 and name HA )) (( segid "ATXH" and resid 26 and name HN )) 2.800 1.000 1.000 peak 188 spectrum 1 weight 0.10000E+01 volume 0.23107E-02 ppm1 7.528 ppm2 4.137 CV 1 ASSI { 191} (( segid "ATXH" and resid 42 and name HB3 )) (( segid "ATXH" and resid 44 and name HN )) 2.800 1.000 1.000 peak 191 spectrum 1 weight 0.10000E+01 volume 0.22997E-02 ppm1 7.594 ppm2 1.893 CV 1 ASSI { 193} ( segid "ATXH" and resid 48 and name HG2%) (( segid "ATXH" and resid 49 and name HN )) 2.900 1.000 1.000 peak 193 spectrum 1 weight 0.10000E+01 volume 0.22777E-02 ppm1 9.252 ppm2 1.104 CV 1 ASSI { 194} (( segid "ATXH" and resid 49 and name HA )) (( segid "ATXH" and resid 34 and name HN )) 2.700 0.900 0.900 peak 194 spectrum 1 weight 0.10000E+01 volume 0.22556E-02 ppm1 8.788 ppm2 5.302 CV 1 ASSI { 195} (( segid "ATXH" and resid 63 and name HN )) (( segid "ATXH" and resid 64 and name HN )) 2.700 0.900 0.900 peak 195 spectrum 1 weight 0.10000E+01 volume 0.22556E-02 ppm1 9.006 ppm2 7.636 CV 1 ASSI { 196} (( segid "ATXH" and resid 48 and name HB )) (( segid "ATXH" and resid 48 and name HN )) 2.700 0.900 0.900 peak 196 spectrum 1 weight 0.10000E+01 volume 0.22446E-02 ppm1 8.715 ppm2 3.879 CV 1 ASSI { 199} (( segid "ATXH" and resid 68 and name HB2 )) (( segid "ATXH" and resid 69 and name HN )) 3.300 1.400 1.400 peak 199 spectrum 1 weight 0.10000E+01 volume 0.22116E-02 ppm1 7.900 ppm2 3.007 CV 1 ASSI { 200} (( segid "ATXH" and resid 9 and name HB2 )) (( segid "ATXH" and resid 9 and name HN )) 2.800 1.000 1.000 peak 200 spectrum 1 weight 0.10000E+01 volume 0.22116E-02 ppm1 9.294 ppm2 1.559 CV 1 ASSI { 201} (( segid "ATXH" and resid 28 and name HN )) (( segid "ATXH" and resid 29 and name HN )) 2.800 1.000 1.000 peak 201 spectrum 1 weight 0.10000E+01 volume 0.21787E-02 ppm1 6.874 ppm2 7.700 CV 1 ASSI { 202} (( segid "ATXH" and resid 25 and name HB3 )) (( segid "ATXH" and resid 28 and name HN )) 3.200 3.200 2.800 peak 202 spectrum 1 weight 0.10000E+01 volume 0.21566E-02 ppm1 7.699 ppm2 3.823 CV 1 ASSI { 206} (( segid "ATXH" and resid 4 and name HB3 )) (( segid "ATXH" and resid 4 and name HN )) 3.100 1.200 1.200 peak 206 spectrum 1 weight 0.10000E+01 volume 0.21236E-02 ppm1 8.151 ppm2 1.802 CV 1 ASSI { 207} ( segid "ATXH" and resid 47 and name HG2%) (( segid "ATXH" and resid 47 and name HN )) 2.800 1.000 1.000 peak 207 spectrum 1 weight 0.10000E+01 volume 0.21126E-02 ppm1 9.162 ppm2 0.809 CV 1 ASSI { 208} ( segid "ATXH" and resid 70 and name HG1%) (( segid "ATXH" and resid 70 and name HN )) 2.800 1.000 1.000 peak 208 spectrum 1 weight 0.10000E+01 volume 0.21016E-02 ppm1 9.465 ppm2 0.981 CV 1 OR { 208} ( segid "ATXH" and resid 70 and name HG2%) (( segid "ATXH" and resid 70 and name HN )) ASSI { 210} (( segid "ATXH" and resid 34 and name HA )) (( segid "ATXH" and resid 34 and name HN )) 2.800 1.000 1.000 peak 210 spectrum 1 weight 0.10000E+01 volume 0.20576E-02 ppm1 8.789 ppm2 4.378 CV 1 ASSI { 212} (( segid "ATXH" and resid 14 and name HN )) (( segid "ATXH" and resid 13 and name HN )) 2.800 1.000 1.000 peak 212 spectrum 1 weight 0.10000E+01 volume 0.20466E-02 ppm1 8.569 ppm2 8.891 CV 1 ASSI { 215} (( segid "ATXH" and resid 60 and name HA )) (( segid "ATXH" and resid 60 and name HN )) 2.800 1.000 1.000 peak 215 spectrum 1 weight 0.10000E+01 volume 0.20026E-02 ppm1 8.537 ppm2 3.254 CV 1 ASSI { 216} (( segid "ATXH" and resid 24 and name HB2 )) (( segid "ATXH" and resid 24 and name HN )) 2.800 1.000 1.000 peak 216 spectrum 1 weight 0.10000E+01 volume 0.19696E-02 ppm1 8.600 ppm2 2.095 CV 1 ASSI { 217} (( segid "ATXH" and resid 65 and name HB3 )) (( segid "ATXH" and resid 65 and name HN )) 2.900 1.000 1.000 peak 217 spectrum 1 weight 0.10000E+01 volume 0.19586E-02 ppm1 8.427 ppm2 2.678 CV 1 ASSI { 218} (( segid "ATXH" and resid 26 and name HB3 )) (( segid "ATXH" and resid 26 and name HN )) 2.800 1.000 1.000 peak 218 spectrum 1 weight 0.10000E+01 volume 0.19476E-02 ppm1 7.528 ppm2 3.679 CV 1 ASSI { 219} (( segid "ATXH" and resid 55 and name HB )) (( segid "ATXH" and resid 57 and name HN )) 2.800 1.000 1.000 peak 219 spectrum 1 weight 0.10000E+01 volume 0.19476E-02 ppm1 8.105 ppm2 4.420 CV 1 ASSI { 220} (( segid "ATXH" and resid 62 and name HN )) (( segid "ATXH" and resid 63 and name HN )) 2.800 1.000 1.000 peak 220 spectrum 1 weight 0.10000E+01 volume 0.19256E-02 ppm1 7.635 ppm2 7.189 CV 1 ASSI { 221} ( segid "ATXH" and resid 33 and name HG1%) (( segid "ATXH" and resid 34 and name HN )) 2.800 1.000 1.000 peak 221 spectrum 1 weight 0.10000E+01 volume 0.19256E-02 ppm1 8.788 ppm2 0.819 CV 1 ASSI { 222} (( segid "ATXH" and resid 44 and name HA )) (( segid "ATXH" and resid 44 and name HN )) 2.800 1.000 1.000 peak 222 spectrum 1 weight 0.10000E+01 volume 0.19256E-02 ppm1 7.597 ppm2 5.498 CV 1 ASSI { 223} ( segid "ATXH" and resid 44 and name HG2%) (( segid "ATXH" and resid 44 and name HN )) 2.900 1.000 1.000 peak 223 spectrum 1 weight 0.10000E+01 volume 0.19146E-02 ppm1 7.599 ppm2 0.941 CV 1 ASSI { 224} (( segid "ATXH" and resid 22 and name HN )) (( segid "ATXH" and resid 21 and name HN )) 2.800 1.000 1.000 peak 224 spectrum 1 weight 0.10000E+01 volume 0.19036E-02 ppm1 7.835 ppm2 8.534 CV 1 ASSI { 225} ( segid "ATXH" and resid 11 and name HG2%) (( segid "ATXH" and resid 11 and name HN )) 2.900 1.000 1.000 peak 225 spectrum 1 weight 0.10000E+01 volume 0.19036E-02 ppm1 8.526 ppm2 0.748 CV 1 ASSI { 226} (( segid "ATXH" and resid 65 and name HN )) (( segid "ATXH" and resid 66 and name HN )) 2.800 1.000 1.000 peak 226 spectrum 1 weight 0.10000E+01 volume 0.19036E-02 ppm1 7.508 ppm2 8.431 CV 1 ASSI { 227} (( segid "ATXH" and resid 23 and name HN )) (( segid "ATXH" and resid 22 and name HN )) 2.800 1.000 1.000 peak 227 spectrum 1 weight 0.10000E+01 volume 0.18926E-02 ppm1 8.535 ppm2 8.272 CV 1 ASSI { 228} (( segid "ATXH" and resid 49 and name HG13)) (( segid "ATXH" and resid 49 and name HN )) 2.800 1.000 1.000 peak 228 spectrum 1 weight 0.10000E+01 volume 0.18705E-02 ppm1 9.252 ppm2 1.422 CV 1 ASSI { 229} (( segid "ATXH" and resid 21 and name HA )) (( segid "ATXH" and resid 21 and name HN )) 2.900 1.000 1.000 peak 229 spectrum 1 weight 0.10000E+01 volume 0.18705E-02 ppm1 7.836 ppm2 4.458 CV 1 ASSI { 230} (( segid "ATXH" and resid 42 and name HA )) (( segid "ATXH" and resid 42 and name HN )) 2.900 1.000 1.000 peak 230 spectrum 1 weight 0.10000E+01 volume 0.18595E-02 ppm1 7.560 ppm2 4.222 CV 1 ASSI { 231} (( segid "ATXH" and resid 63 and name HG13)) (( segid "ATXH" and resid 63 and name HN )) 2.700 0.900 0.900 peak 231 spectrum 1 weight 0.10000E+01 volume 0.18595E-02 ppm1 7.637 ppm2 0.570 CV 1 ASSI { 235} (( segid "ATXH" and resid 11 and name HB )) (( segid "ATXH" and resid 11 and name HN )) 2.800 1.000 1.000 peak 235 spectrum 1 weight 0.10000E+01 volume 0.18265E-02 ppm1 8.525 ppm2 1.639 CV 1 ASSI { 236} (( segid "ATXH" and resid 62 and name HB )) (( segid "ATXH" and resid 63 and name HN )) 2.800 1.000 1.000 peak 236 spectrum 1 weight 0.10000E+01 volume 0.18265E-02 ppm1 7.636 ppm2 2.188 CV 1 ASSI { 237} (( segid "ATXH" and resid 65 and name HA )) (( segid "ATXH" and resid 65 and name HN )) 2.900 1.100 1.100 peak 237 spectrum 1 weight 0.10000E+01 volume 0.18045E-02 ppm1 8.427 ppm2 4.509 CV 1 ASSI { 238} ( segid "ATXH" and resid 38 and name HG1%) (( segid "ATXH" and resid 38 and name HN )) 2.900 1.100 1.100 peak 238 spectrum 1 weight 0.10000E+01 volume 0.17935E-02 ppm1 9.834 ppm2 1.013 CV 1 ASSI { 239} ( segid "ATXH" and resid 47 and name HG1%) (( segid "ATXH" and resid 48 and name HN )) 2.900 1.000 1.000 peak 239 spectrum 1 weight 0.10000E+01 volume 0.17495E-02 ppm1 8.715 ppm2 0.877 CV 1 ASSI { 240} (( segid "ATXH" and resid 24 and name HN )) (( segid "ATXH" and resid 25 and name HN )) 2.900 1.000 1.000 peak 240 spectrum 1 weight 0.10000E+01 volume 0.17385E-02 ppm1 8.211 ppm2 8.601 CV 1 ASSI { 241} (( segid "ATXH" and resid 9 and name HB3 )) (( segid "ATXH" and resid 10 and name HN )) 3.200 1.300 1.300 peak 241 spectrum 1 weight 0.10000E+01 volume 0.17275E-02 ppm1 9.033 ppm2 1.280 CV 1 ASSI { 242} (( segid "ATXH" and resid 14 and name HB2 )) (( segid "ATXH" and resid 14 and name HN )) 2.800 1.000 1.000 peak 242 spectrum 1 weight 0.10000E+01 volume 0.17275E-02 ppm1 8.889 ppm2 2.318 CV 1 ASSI { 243} (( segid "ATXH" and resid 69 and name HB2 )) (( segid "ATXH" and resid 69 and name HN )) 2.900 1.000 1.000 peak 243 spectrum 1 weight 0.10000E+01 volume 0.17165E-02 ppm1 7.900 ppm2 2.588 CV 1 ASSI { 244} (( segid "ATXH" and resid 13 and name HA1 )) (( segid "ATXH" and resid 13 and name HN )) 2.800 1.000 1.000 peak 244 spectrum 1 weight 0.10000E+01 volume 0.17165E-02 ppm1 8.568 ppm2 3.745 CV 1 ASSI { 246} (( segid "ATXH" and resid 68 and name HB3 )) (( segid "ATXH" and resid 69 and name HN )) 2.800 1.000 1.000 peak 246 spectrum 1 weight 0.10000E+01 volume 0.16945E-02 ppm1 7.899 ppm2 2.268 CV 1 ASSI { 247} (( segid "ATXH" and resid 56 and name HN )) (( segid "ATXH" and resid 57 and name HN )) 2.800 1.000 1.000 peak 247 spectrum 1 weight 0.10000E+01 volume 0.16945E-02 ppm1 8.105 ppm2 8.796 CV 1 ASSI { 249} (( segid "ATXH" and resid 26 and name HN )) (( segid "ATXH" and resid 27 and name HN )) 2.900 1.000 1.000 peak 249 spectrum 1 weight 0.10000E+01 volume 0.16725E-02 ppm1 8.177 ppm2 7.528 CV 1 ASSI { 250} (( segid "ATXH" and resid 63 and name HA )) (( segid "ATXH" and resid 63 and name HN )) 2.900 1.100 1.100 peak 250 spectrum 1 weight 0.10000E+01 volume 0.16615E-02 ppm1 7.636 ppm2 3.467 CV 1 ASSI { 252} (( segid "ATXH" and resid 50 and name HA )) (( segid "ATXH" and resid 50 and name HN )) 2.900 1.000 1.000 peak 252 spectrum 1 weight 0.10000E+01 volume 0.16505E-02 ppm1 8.531 ppm2 5.033 CV 1 ASSI { 253} (( segid "ATXH" and resid 33 and name HA )) (( segid "ATXH" and resid 33 and name HN )) 2.900 1.000 1.000 peak 253 spectrum 1 weight 0.10000E+01 volume 0.16395E-02 ppm1 7.524 ppm2 4.070 CV 1 ASSI { 257} (( segid "ATXH" and resid 66 and name HA )) (( segid "ATXH" and resid 66 and name HN )) 2.900 1.100 1.100 peak 257 spectrum 1 weight 0.10000E+01 volume 0.16285E-02 ppm1 7.508 ppm2 4.284 CV 1 ASSI { 258} (( segid "ATXH" and resid 54 and name HA )) (( segid "ATXH" and resid 54 and name HN )) 2.800 1.000 1.000 peak 258 spectrum 1 weight 0.10000E+01 volume 0.16285E-02 ppm1 8.014 ppm2 4.650 CV 1 ASSI { 259} (( segid "ATXH" and resid 39 and name HB2 )) (( segid "ATXH" and resid 44 and name HN )) 2.800 1.000 1.000 peak 259 spectrum 1 weight 0.10000E+01 volume 0.15954E-02 ppm1 7.597 ppm2 2.327 CV 1 ASSI { 260} (( segid "ATXH" and resid 24 and name HB2 )) (( segid "ATXH" and resid 25 and name HN )) 3.600 1.600 1.600 peak 260 spectrum 1 weight 0.10000E+01 volume 0.15735E-02 ppm1 8.211 ppm2 2.096 CV 1 ASSI { 262} (( segid "ATXH" and resid 5 and name HA )) (( segid "ATXH" and resid 5 and name HN )) 2.900 1.100 1.100 peak 262 spectrum 1 weight 0.10000E+01 volume 0.15515E-02 ppm1 9.158 ppm2 4.623 CV 1 ASSI { 263} (( segid "ATXH" and resid 7 and name HN )) (( segid "ATXH" and resid 6 and name HN )) 3.200 1.200 1.200 peak 263 spectrum 1 weight 0.10000E+01 volume 0.15515E-02 ppm1 8.618 ppm2 9.254 CV 1 ASSI { 264} (( segid "ATXH" and resid 4 and name HA )) (( segid "ATXH" and resid 4 and name HN )) 2.900 1.100 1.100 peak 264 spectrum 1 weight 0.10000E+01 volume 0.15405E-02 ppm1 8.151 ppm2 5.165 CV 1 ASSI { 265} (( segid "ATXH" and resid 35 and name HB2 )) (( segid "ATXH" and resid 36 and name HN )) 3.200 1.300 1.300 peak 265 spectrum 1 weight 0.10000E+01 volume 0.15405E-02 ppm1 8.668 ppm2 2.257 CV 1 OR { 265} (( segid "ATXH" and resid 35 and name HG2 )) (( segid "ATXH" and resid 36 and name HN )) ASSI { 266} (( segid "ATXH" and resid 46 and name HG3 )) (( segid "ATXH" and resid 47 and name HN )) 3.400 1.400 1.400 peak 266 spectrum 1 weight 0.10000E+01 volume 0.15295E-02 ppm1 9.166 ppm2 2.145 CV 1 OR { 266} (( segid "ATXH" and resid 46 and name HG2 )) (( segid "ATXH" and resid 47 and name HN )) ASSI { 268} (( segid "ATXH" and resid 57 and name HG2 )) (( segid "ATXH" and resid 58 and name HN )) 3.400 1.500 1.500 peak 268 spectrum 1 weight 0.10000E+01 volume 0.14964E-02 ppm1 7.581 ppm2 1.432 CV 1 OR { 268} (( segid "ATXH" and resid 57 and name HG3 )) (( segid "ATXH" and resid 58 and name HN )) ASSI { 270} (( segid "ATXH" and resid 12 and name HA )) (( segid "ATXH" and resid 12 and name HN )) 3.000 1.100 1.100 peak 270 spectrum 1 weight 0.10000E+01 volume 0.14634E-02 ppm1 9.283 ppm2 4.636 CV 1 ASSI { 271} (( segid "ATXH" and resid 12 and name HB2 )) (( segid "ATXH" and resid 12 and name HN )) 2.900 1.100 1.100 peak 271 spectrum 1 weight 0.10000E+01 volume 0.14524E-02 ppm1 9.283 ppm2 2.152 CV 1 ASSI { 272} (( segid "ATXH" and resid 52 and name HB3 )) (( segid "ATXH" and resid 52 and name HN )) 3.100 1.200 1.200 peak 272 spectrum 1 weight 0.10000E+01 volume 0.14524E-02 ppm1 8.772 ppm2 3.848 CV 1 ASSI { 273} (( segid "ATXH" and resid 24 and name HB3 )) (( segid "ATXH" and resid 25 and name HN )) 2.800 1.000 1.000 peak 273 spectrum 1 weight 0.10000E+01 volume 0.14524E-02 ppm1 8.210 ppm2 1.904 CV 1 ASSI { 275} (( segid "ATXH" and resid 4 and name HG2 )) (( segid "ATXH" and resid 4 and name HN )) 2.900 1.000 1.000 peak 275 spectrum 1 weight 0.10000E+01 volume 0.14084E-02 ppm1 8.149 ppm2 2.630 CV 1 ASSI { 277} (( segid "ATXH" and resid 26 and name HN )) (( segid "ATXH" and resid 25 and name HN )) 3.000 1.100 1.100 peak 277 spectrum 1 weight 0.10000E+01 volume 0.13974E-02 ppm1 8.212 ppm2 7.529 CV 1 ASSI { 278} (( segid "ATXH" and resid 54 and name HB )) (( segid "ATXH" and resid 54 and name HN )) 2.900 1.100 1.100 peak 278 spectrum 1 weight 0.10000E+01 volume 0.13864E-02 ppm1 8.017 ppm2 2.392 CV 1 ASSI { 279} (( segid "ATXH" and resid 31 and name HB2 )) (( segid "ATXH" and resid 31 and name HN )) 3.000 1.100 1.100 peak 279 spectrum 1 weight 0.10000E+01 volume 0.13754E-02 ppm1 8.606 ppm2 2.748 CV 1 ASSI { 280} (( segid "ATXH" and resid 9 and name HB2 )) (( segid "ATXH" and resid 10 and name HN )) 3.100 1.200 1.200 peak 280 spectrum 1 weight 0.10000E+01 volume 0.13644E-02 ppm1 9.035 ppm2 1.559 CV 1 ASSI { 282} (( segid "ATXH" and resid 8 and name HB )) (( segid "ATXH" and resid 8 and name HN )) 3.000 1.100 1.100 peak 282 spectrum 1 weight 0.10000E+01 volume 0.13204E-02 ppm1 8.805 ppm2 3.874 CV 1 ASSI { 283} (( segid "ATXH" and resid 32 and name HA2 )) (( segid "ATXH" and resid 33 and name HN )) 3.000 1.100 1.100 peak 283 spectrum 1 weight 0.10000E+01 volume 0.13204E-02 ppm1 7.522 ppm2 4.218 CV 1 ASSI { 284} (( segid "ATXH" and resid 45 and name HA )) (( segid "ATXH" and resid 45 and name HN )) 3.000 1.100 1.100 peak 284 spectrum 1 weight 0.10000E+01 volume 0.13204E-02 ppm1 8.975 ppm2 4.470 CV 1 ASSI { 285} (( segid "ATXH" and resid 68 and name HB2 )) (( segid "ATXH" and resid 68 and name HN )) 2.900 1.000 1.000 peak 285 spectrum 1 weight 0.10000E+01 volume 0.13094E-02 ppm1 6.774 ppm2 3.002 CV 1 ASSI { 286} (( segid "ATXH" and resid 49 and name HG13)) (( segid "ATXH" and resid 5 and name HN )) 3.000 1.100 1.100 peak 286 spectrum 1 weight 0.10000E+01 volume 0.13094E-02 ppm1 9.161 ppm2 1.421 CV 1 ASSI { 287} (( segid "ATXH" and resid 33 and name HB )) (( segid "ATXH" and resid 30 and name HN )) 3.100 1.200 1.200 peak 287 spectrum 1 weight 0.10000E+01 volume 0.13094E-02 ppm1 7.447 ppm2 2.260 CV 1 ASSI { 288} (( segid "ATXH" and resid 30 and name HB3 )) (( segid "ATXH" and resid 31 and name HN )) 3.000 1.100 1.100 peak 288 spectrum 1 weight 0.10000E+01 volume 0.13094E-02 ppm1 8.606 ppm2 1.316 CV 1 ASSI { 289} (( segid "ATXH" and resid 69 and name HA )) (( segid "ATXH" and resid 69 and name HN )) 3.100 1.200 1.200 peak 289 spectrum 1 weight 0.10000E+01 volume 0.12984E-02 ppm1 7.903 ppm2 5.037 CV 1 ASSI { 291} (( segid "ATXH" and resid 23 and name HA )) (( segid "ATXH" and resid 23 and name HN )) 3.000 1.100 1.100 peak 291 spectrum 1 weight 0.10000E+01 volume 0.12984E-02 ppm1 8.268 ppm2 3.389 CV 1 ASSI { 292} (( segid "ATXH" and resid 28 and name HB3 )) (( segid "ATXH" and resid 29 and name HN )) 2.900 1.100 1.100 peak 292 spectrum 1 weight 0.10000E+01 volume 0.12984E-02 ppm1 6.875 ppm2 1.850 CV 1 OR { 292} (( segid "ATXH" and resid 28 and name HB2 )) (( segid "ATXH" and resid 29 and name HN )) ASSI { 293} (( segid "ATXH" and resid 43 and name HA2 )) (( segid "ATXH" and resid 44 and name HN )) 3.200 1.300 1.300 peak 293 spectrum 1 weight 0.10000E+01 volume 0.12874E-02 ppm1 7.597 ppm2 4.032 CV 1 ASSI { 294} (( segid "ATXH" and resid 69 and name HB3 )) (( segid "ATXH" and resid 70 and name HN )) 3.300 1.400 1.400 peak 294 spectrum 1 weight 0.10000E+01 volume 0.12764E-02 ppm1 9.464 ppm2 2.493 CV 1 ASSI { 296} (( segid "ATXH" and resid 50 and name HA )) (( segid "ATXH" and resid 52 and name HN )) 3.100 1.200 1.200 peak 296 spectrum 1 weight 0.10000E+01 volume 0.12654E-02 ppm1 8.772 ppm2 5.015 CV 1 ASSI { 297} (( segid "ATXH" and resid 49 and name HG12)) (( segid "ATXH" and resid 5 and name HN )) 3.400 1.400 1.400 peak 297 spectrum 1 weight 0.10000E+01 volume 0.12544E-02 ppm1 9.161 ppm2 0.840 CV 1 ASSI { 298} (( segid "ATXH" and resid 20 and name HN )) (( segid "ATXH" and resid 21 and name HN )) 3.100 1.200 1.200 peak 298 spectrum 1 weight 0.10000E+01 volume 0.12434E-02 ppm1 7.836 ppm2 7.017 CV 1 ASSI { 299} (( segid "ATXH" and resid 64 and name HB2 )) (( segid "ATXH" and resid 65 and name HN )) 3.000 1.100 1.100 peak 299 spectrum 1 weight 0.10000E+01 volume 0.12323E-02 ppm1 8.428 ppm2 2.111 CV 1 ASSI { 300} ( segid "ATXH" and resid 11 and name HG1%) (( segid "ATXH" and resid 12 and name HN )) 3.300 1.300 1.300 peak 300 spectrum 1 weight 0.10000E+01 volume 0.12323E-02 ppm1 9.284 ppm2 0.679 CV 1 OR { 300} ( segid "ATXH" and resid 11 and name HG2%) (( segid "ATXH" and resid 12 and name HN )) ASSI { 301} (( segid "ATXH" and resid 67 and name HA1 )) (( segid "ATXH" and resid 68 and name HN )) 3.100 1.200 1.200 peak 301 spectrum 1 weight 0.10000E+01 volume 0.12323E-02 ppm1 6.776 ppm2 3.546 CV 1 ASSI { 302} (( segid "ATXH" and resid 29 and name HA )) (( segid "ATXH" and resid 30 and name HN )) 3.200 1.200 1.200 peak 302 spectrum 1 weight 0.10000E+01 volume 0.12213E-02 ppm1 7.447 ppm2 4.061 CV 1 ASSI { 306} (( segid "ATXH" and resid 5 and name HG2 )) (( segid "ATXH" and resid 5 and name HN )) 3.100 1.200 1.200 peak 306 spectrum 1 weight 0.10000E+01 volume 0.11993E-02 ppm1 9.160 ppm2 2.190 CV 1 ASSI { 307} ( segid "ATXH" and resid 3 and name HB% ) (( segid "ATXH" and resid 4 and name HN )) 3.400 1.500 1.500 peak 307 spectrum 1 weight 0.10000E+01 volume 0.11993E-02 ppm1 8.150 ppm2 1.358 CV 1 ASSI { 308} (( segid "ATXH" and resid 28 and name HG2 )) (( segid "ATXH" and resid 28 and name HN )) 3.600 1.600 1.600 peak 308 spectrum 1 weight 0.10000E+01 volume 0.11883E-02 ppm1 7.699 ppm2 1.493 CV 1 ASSI { 309} (( segid "ATXH" and resid 48 and name HB )) (( segid "ATXH" and resid 34 and name HN )) 3.200 1.300 1.300 peak 309 spectrum 1 weight 0.10000E+01 volume 0.11883E-02 ppm1 8.792 ppm2 3.897 CV 1 ASSI { 310} ( segid "ATXH" and resid 30 and name HD1%) (( segid "ATXH" and resid 31 and name HN )) 3.400 1.500 1.500 peak 310 spectrum 1 weight 0.10000E+01 volume 0.11773E-02 ppm1 8.606 ppm2 0.837 CV 1 OR { 310} ( segid "ATXH" and resid 30 and name HD2%) (( segid "ATXH" and resid 31 and name HN )) ASSI { 311} (( segid "ATXH" and resid 66 and name HB2 )) (( segid "ATXH" and resid 64 and name HN )) 3.200 1.300 1.300 peak 311 spectrum 1 weight 0.10000E+01 volume 0.11773E-02 ppm1 9.007 ppm2 2.492 CV 1 OR { 311} (( segid "ATXH" and resid 66 and name HG3 )) (( segid "ATXH" and resid 64 and name HN )) OR { 311} (( segid "ATXH" and resid 66 and name HG2 )) (( segid "ATXH" and resid 64 and name HN )) ASSI { 313} ( segid "ATXH" and resid 60 and name HG1%) (( segid "ATXH" and resid 61 and name HN )) 3.300 1.300 1.300 peak 313 spectrum 1 weight 0.10000E+01 volume 0.11663E-02 ppm1 7.709 ppm2 0.973 CV 1 ASSI { 317} (( segid "ATXH" and resid 58 and name HB3 )) (( segid "ATXH" and resid 55 and name HN )) 3.600 1.600 1.600 peak 317 spectrum 1 weight 0.10000E+01 volume 0.11444E-02 ppm1 8.077 ppm2 2.599 CV 1 ASSI { 318} (( segid "ATXH" and resid 58 and name HA )) (( segid "ATXH" and resid 61 and name HN )) 3.200 1.300 1.300 peak 318 spectrum 1 weight 0.10000E+01 volume 0.11444E-02 ppm1 7.710 ppm2 4.362 CV 1 ASSI { 319} (( segid "ATXH" and resid 34 and name HG3 )) (( segid "ATXH" and resid 34 and name HN )) 3.500 1.500 1.500 peak 319 spectrum 1 weight 0.10000E+01 volume 0.11334E-02 ppm1 8.786 ppm2 2.069 CV 1 ASSI { 320} (( segid "ATXH" and resid 56 and name HG )) (( segid "ATXH" and resid 56 and name HN )) 3.200 1.300 1.300 peak 320 spectrum 1 weight 0.10000E+01 volume 0.11334E-02 ppm1 8.795 ppm2 0.868 CV 1 OR { 320} ( segid "ATXH" and resid 56 and name HD2%) (( segid "ATXH" and resid 56 and name HN )) OR { 320} ( segid "ATXH" and resid 56 and name HD1%) (( segid "ATXH" and resid 56 and name HN )) ASSI { 321} ( segid "ATXH" and resid 53 and name HG1%) (( segid "ATXH" and resid 32 and name HN )) 3.300 1.300 1.300 peak 321 spectrum 1 weight 0.10000E+01 volume 0.11334E-02 ppm1 8.561 ppm2 0.811 CV 1 OR { 321} ( segid "ATXH" and resid 53 and name HG2%) (( segid "ATXH" and resid 32 and name HN )) ASSI { 322} (( segid "ATXH" and resid 43 and name HA1 )) (( segid "ATXH" and resid 44 and name HN )) 3.100 1.200 1.200 peak 322 spectrum 1 weight 0.10000E+01 volume 0.11223E-02 ppm1 7.597 ppm2 3.627 CV 1 ASSI { 323} (( segid "ATXH" and resid 44 and name HA )) (( segid "ATXH" and resid 11 and name HN )) 3.100 1.200 1.200 peak 323 spectrum 1 weight 0.10000E+01 volume 0.10948E-02 ppm1 8.525 ppm2 5.496 CV 1 ASSI { 324} (( segid "ATXH" and resid 65 and name HB2 )) (( segid "ATXH" and resid 66 and name HN )) 3.600 1.600 1.600 peak 324 spectrum 1 weight 0.10000E+01 volume 0.10805E-02 ppm1 7.509 ppm2 2.911 CV 1 ASSI { 326} (( segid "ATXH" and resid 42 and name HB2 )) (( segid "ATXH" and resid 43 and name HN )) 3.200 1.300 1.300 peak 326 spectrum 1 weight 0.10000E+01 volume 0.10684E-02 ppm1 7.939 ppm2 2.086 CV 1 ASSI { 328} (( segid "ATXH" and resid 43 and name HA1 )) (( segid "ATXH" and resid 42 and name HN )) 3.800 1.800 1.800 peak 328 spectrum 1 weight 0.10000E+01 volume 0.10618E-02 ppm1 7.558 ppm2 3.641 CV 1 ASSI { 329} ( segid "ATXH" and resid 38 and name HG1%) (( segid "ATXH" and resid 21 and name HN )) 2.900 2.900 3.100 peak 329 spectrum 1 weight 0.10000E+01 volume 0.10618E-02 ppm1 7.836 ppm2 0.980 CV 1 ASSI { 330} (( segid "ATXH" and resid 55 and name HB )) (( segid "ATXH" and resid 55 and name HN )) 3.300 1.300 1.300 peak 330 spectrum 1 weight 0.10000E+01 volume 0.10596E-02 ppm1 8.080 ppm2 4.409 CV 1 ASSI { 333} ( segid "ATXH" and resid 36 and name HG2%) (( segid "ATXH" and resid 36 and name HN )) 3.200 1.300 1.300 peak 333 spectrum 1 weight 0.10000E+01 volume 0.10464E-02 ppm1 8.668 ppm2 0.873 CV 1 ASSI { 334} (( segid "ATXH" and resid 58 and name HB3 )) (( segid "ATXH" and resid 59 and name HN )) 3.400 1.500 1.500 peak 334 spectrum 1 weight 0.10000E+01 volume 0.10255E-02 ppm1 7.362 ppm2 2.599 CV 1 ASSI { 335} (( segid "ATXH" and resid 57 and name HG3 )) (( segid "ATXH" and resid 57 and name HN )) 3.800 1.800 1.800 peak 335 spectrum 1 weight 0.10000E+01 volume 0.10255E-02 ppm1 8.103 ppm2 1.419 CV 1 OR { 335} (( segid "ATXH" and resid 57 and name HG2 )) (( segid "ATXH" and resid 57 and name HN )) ASSI { 337} (( segid "ATXH" and resid 21 and name HB3 )) (( segid "ATXH" and resid 22 and name HN )) 3.200 1.300 1.300 peak 337 spectrum 1 weight 0.10000E+01 volume 0.10101E-02 ppm1 8.534 ppm2 2.800 CV 1 OR { 337} (( segid "ATXH" and resid 21 and name HB2 )) (( segid "ATXH" and resid 22 and name HN )) ASSI { 338} (( segid "ATXH" and resid 32 and name HA1 )) (( segid "ATXH" and resid 33 and name HN )) 3.300 1.400 1.400 peak 338 spectrum 1 weight 0.10000E+01 volume 0.10090E-02 ppm1 7.523 ppm2 3.664 CV 1 ASSI { 340} (( segid "ATXH" and resid 29 and name HG3 )) (( segid "ATXH" and resid 29 and name HN )) 3.100 1.200 1.200 peak 340 spectrum 1 weight 0.10000E+01 volume 0.10002E-02 ppm1 6.874 ppm2 2.329 CV 1 ASSI { 341} (( segid "ATXH" and resid 49 and name HB )) (( segid "ATXH" and resid 5 and name HN )) 3.400 3.400 2.600 peak 341 spectrum 1 weight 0.10000E+01 volume 0.99027E-03 ppm1 9.160 ppm2 1.573 CV 1 ASSI { 343} (( segid "ATXH" and resid 51 and name HA )) (( segid "ATXH" and resid 54 and name HN )) 3.200 1.300 1.300 peak 343 spectrum 1 weight 0.10000E+01 volume 0.97926E-03 ppm1 8.013 ppm2 4.890 CV 1 ASSI { 344} (( segid "ATXH" and resid 25 and name HB3 )) (( segid "ATXH" and resid 29 and name HN )) 3.500 1.500 1.500 peak 344 spectrum 1 weight 0.10000E+01 volume 0.97271E-03 ppm1 6.874 ppm2 3.825 CV 1 ASSI { 345} (( segid "ATXH" and resid 65 and name HB3 )) (( segid "ATXH" and resid 66 and name HN )) 3.200 1.200 1.200 peak 345 spectrum 1 weight 0.10000E+01 volume 0.96501E-03 ppm1 7.507 ppm2 2.662 CV 1 ASSI { 346} (( segid "ATXH" and resid 42 and name HA )) (( segid "ATXH" and resid 43 and name HN )) 3.300 1.300 1.300 peak 346 spectrum 1 weight 0.10000E+01 volume 0.96056E-03 ppm1 7.936 ppm2 4.203 CV 1 ASSI { 348} ( segid "ATXH" and resid 63 and name HG2%) (( segid "ATXH" and resid 68 and name HN )) 3.400 1.500 1.500 peak 348 spectrum 1 weight 0.10000E+01 volume 0.95401E-03 ppm1 6.775 ppm2 0.767 CV 1 ASSI { 349} (( segid "ATXH" and resid 19 and name HA )) (( segid "ATXH" and resid 19 and name HN )) 3.200 1.300 1.300 peak 349 spectrum 1 weight 0.10000E+01 volume 0.95070E-03 ppm1 7.841 ppm2 4.106 CV 1 ASSI { 350} (( segid "ATXH" and resid 63 and name HB )) (( segid "ATXH" and resid 62 and name HN )) 3.700 1.700 1.700 peak 350 spectrum 1 weight 0.10000E+01 volume 0.94408E-03 ppm1 7.187 ppm2 1.818 CV 1 ASSI { 352} (( segid "ATXH" and resid 25 and name HB3 )) (( segid "ATXH" and resid 30 and name HN )) 3.500 3.500 2.500 peak 352 spectrum 1 weight 0.10000E+01 volume 0.93854E-03 ppm1 7.447 ppm2 3.823 CV 1 ASSI { 354} (( segid "ATXH" and resid 35 and name HN )) (( segid "ATXH" and resid 48 and name HN )) 3.200 1.300 1.300 peak 354 spectrum 1 weight 0.10000E+01 volume 0.92869E-03 ppm1 8.715 ppm2 7.515 CV 1 ASSI { 356} (( segid "ATXH" and resid 54 and name HB )) (( segid "ATXH" and resid 55 and name HN )) 3.800 1.800 1.800 peak 356 spectrum 1 weight 0.10000E+01 volume 0.92207E-03 ppm1 8.078 ppm2 2.386 CV 1 ASSI { 358} (( segid "ATXH" and resid 47 and name HA )) (( segid "ATXH" and resid 47 and name HN )) 3.200 1.300 1.300 peak 358 spectrum 1 weight 0.10000E+01 volume 0.91106E-03 ppm1 9.158 ppm2 5.074 CV 1 ASSI { 359} (( segid "ATXH" and resid 60 and name HA )) (( segid "ATXH" and resid 61 and name HN )) 3.300 1.300 1.300 peak 359 spectrum 1 weight 0.10000E+01 volume 0.90998E-03 ppm1 7.709 ppm2 3.253 CV 1 ASSI { 360} (( segid "ATXH" and resid 32 and name HA1 )) (( segid "ATXH" and resid 54 and name HN )) 3.800 1.800 1.800 peak 360 spectrum 1 weight 0.10000E+01 volume 0.90775E-03 ppm1 8.033 ppm2 3.675 CV 1 ASSI { 361} (( segid "ATXH" and resid 7 and name HG )) (( segid "ATXH" and resid 7 and name HN )) 3.400 1.500 1.500 peak 361 spectrum 1 weight 0.10000E+01 volume 0.90444E-03 ppm1 9.260 ppm2 0.820 CV 1 OR { 361} ( segid "ATXH" and resid 7 and name HD1%) (( segid "ATXH" and resid 7 and name HN )) OR { 361} ( segid "ATXH" and resid 7 and name HD2%) (( segid "ATXH" and resid 7 and name HN )) ASSI { 362} (( segid "ATXH" and resid 19 and name HB3 )) (( segid "ATXH" and resid 19 and name HN )) 3.300 1.300 1.300 peak 362 spectrum 1 weight 0.10000E+01 volume 0.90444E-03 ppm1 7.839 ppm2 2.764 CV 1 ASSI { 363} (( segid "ATXH" and resid 61 and name HA )) (( segid "ATXH" and resid 62 and name HN )) 3.400 1.400 1.400 peak 363 spectrum 1 weight 0.10000E+01 volume 0.90444E-03 ppm1 7.187 ppm2 4.198 CV 1 ASSI { 364} (( segid "ATXH" and resid 36 and name HA )) (( segid "ATXH" and resid 38 and name HN )) 3.600 3.600 2.400 peak 364 spectrum 1 weight 0.10000E+01 volume 0.90444E-03 ppm1 9.836 ppm2 4.925 CV 1 ASSI { 365} (( segid "ATXH" and resid 33 and name HA )) (( segid "ATXH" and resid 35 and name HN )) 3.900 1.900 1.900 peak 365 spectrum 1 weight 0.10000E+01 volume 0.89675E-03 ppm1 7.512 ppm2 4.059 CV 1 ASSI { 367} (( segid "ATXH" and resid 61 and name HA )) (( segid "ATXH" and resid 64 and name HN )) 3.300 1.300 1.300 peak 367 spectrum 1 weight 0.10000E+01 volume 0.89567E-03 ppm1 9.007 ppm2 4.201 CV 1 ASSI { 368} ( segid "ATXH" and resid 11 and name HG1%) (( segid "ATXH" and resid 69 and name HN )) 3.400 1.500 1.500 peak 368 spectrum 1 weight 0.10000E+01 volume 0.88905E-03 ppm1 7.901 ppm2 0.676 CV 1 OR { 368} ( segid "ATXH" and resid 11 and name HG2%) (( segid "ATXH" and resid 69 and name HN )) ASSI { 369} (( segid "ATXH" and resid 60 and name HN )) (( segid "ATXH" and resid 58 and name HN )) 3.300 1.400 1.400 peak 369 spectrum 1 weight 0.10000E+01 volume 0.88358E-03 ppm1 7.580 ppm2 8.544 CV 1 ASSI { 370} (( segid "ATXH" and resid 27 and name HA )) (( segid "ATXH" and resid 30 and name HN )) 3.300 1.400 1.400 peak 370 spectrum 1 weight 0.10000E+01 volume 0.86156E-03 ppm1 7.448 ppm2 3.687 CV 1 ASSI { 371} (( segid "ATXH" and resid 70 and name HA )) (( segid "ATXH" and resid 70 and name HN )) 3.200 1.300 1.300 peak 371 spectrum 1 weight 0.10000E+01 volume 0.85718E-03 ppm1 9.466 ppm2 4.541 CV 1 ASSI { 372} (( segid "ATXH" and resid 10 and name HG3 )) (( segid "ATXH" and resid 11 and name HN )) 3.600 1.600 1.600 peak 372 spectrum 1 weight 0.10000E+01 volume 0.85056E-03 ppm1 8.525 ppm2 2.286 CV 1 OR { 372} (( segid "ATXH" and resid 10 and name HG2 )) (( segid "ATXH" and resid 11 and name HN )) ASSI { 375} (( segid "ATXH" and resid 35 and name HB2 )) (( segid "ATXH" and resid 48 and name HN )) 3.300 1.400 1.400 peak 375 spectrum 1 weight 0.10000E+01 volume 0.83732E-03 ppm1 8.720 ppm2 2.260 CV 1 OR { 375} (( segid "ATXH" and resid 35 and name HG2 )) (( segid "ATXH" and resid 48 and name HN )) ASSI { 376} (( segid "ATXH" and resid 31 and name HB3 )) (( segid "ATXH" and resid 32 and name HN )) 3.400 1.400 1.400 peak 376 spectrum 1 weight 0.10000E+01 volume 0.83516E-03 ppm1 8.560 ppm2 2.660 CV 1 ASSI { 377} ( segid "ATXH" and resid 33 and name HG2%) (( segid "ATXH" and resid 30 and name HN )) 3.400 1.500 1.500 peak 377 spectrum 1 weight 0.10000E+01 volume 0.83516E-03 ppm1 7.446 ppm2 0.650 CV 1 ASSI { 378} ( segid "ATXH" and resid 8 and name HG2%) (( segid "ATXH" and resid 9 and name HN )) 3.400 1.400 1.400 peak 378 spectrum 1 weight 0.10000E+01 volume 0.83401E-03 ppm1 9.295 ppm2 1.080 CV 1 ASSI { 379} ( segid "ATXH" and resid 48 and name HG2%) (( segid "ATXH" and resid 5 and name HN )) 3.300 1.400 1.400 peak 379 spectrum 1 weight 0.10000E+01 volume 0.83293E-03 ppm1 9.161 ppm2 1.098 CV 1 ASSI { 380} ( segid "ATXH" and resid 48 and name HG2%) (( segid "ATXH" and resid 35 and name HN )) 3.700 1.700 1.700 peak 380 spectrum 1 weight 0.10000E+01 volume 0.83077E-03 ppm1 7.512 ppm2 1.108 CV 1 ASSI { 383} (( segid "ATXH" and resid 6 and name HG2 )) (( segid "ATXH" and resid 6 and name HE21)) 3.200 1.300 1.300 peak 383 spectrum 1 weight 0.10000E+01 volume 0.81315E-03 ppm1 7.328 ppm2 2.205 CV 1 ASSI { 384} ( segid "ATXH" and resid 55 and name HG2%) (( segid "ATXH" and resid 56 and name HN )) 3.700 1.700 1.700 peak 384 spectrum 1 weight 0.10000E+01 volume 0.81092E-03 ppm1 8.796 ppm2 1.182 CV 1 ASSI { 385} (( segid "ATXH" and resid 7 and name HA )) (( segid "ATXH" and resid 7 and name HN )) 3.300 1.300 1.300 peak 385 spectrum 1 weight 0.10000E+01 volume 0.80761E-03 ppm1 9.258 ppm2 4.838 CV 1 ASSI { 386} (( segid "ATXH" and resid 37 and name HG3 )) (( segid "ATXH" and resid 37 and name HN )) 3.400 1.400 1.400 peak 386 spectrum 1 weight 0.10000E+01 volume 0.80322E-03 ppm1 8.996 ppm2 1.225 CV 1 OR { 386} (( segid "ATXH" and resid 37 and name HG2 )) (( segid "ATXH" and resid 37 and name HN )) ASSI { 387} (( segid "ATXH" and resid 70 and name HB )) (( segid "ATXH" and resid 71 and name HN )) 3.400 1.500 1.500 peak 387 spectrum 1 weight 0.10000E+01 volume 0.79991E-03 ppm1 8.789 ppm2 2.080 CV 1 ASSI { 388} (( segid "ATXH" and resid 37 and name HG2 )) (( segid "ATXH" and resid 38 and name HN )) 3.900 1.900 1.900 peak 388 spectrum 1 weight 0.10000E+01 volume 0.79444E-03 ppm1 9.834 ppm2 1.214 CV 1 OR { 388} (( segid "ATXH" and resid 37 and name HG3 )) (( segid "ATXH" and resid 38 and name HN )) ASSI { 389} (( segid "ATXH" and resid 42 and name HB3 )) (( segid "ATXH" and resid 43 and name HN )) 3.500 1.500 1.500 peak 389 spectrum 1 weight 0.10000E+01 volume 0.78783E-03 ppm1 7.941 ppm2 1.905 CV 1 ASSI { 390} (( segid "ATXH" and resid 12 and name HB2 )) (( segid "ATXH" and resid 13 and name HN )) 3.800 1.800 1.800 peak 390 spectrum 1 weight 0.10000E+01 volume 0.78236E-03 ppm1 8.567 ppm2 2.150 CV 1 ASSI { 392} (( segid "ATXH" and resid 52 and name HB2 )) (( segid "ATXH" and resid 52 and name HN )) 3.300 1.300 1.300 peak 392 spectrum 1 weight 0.10000E+01 volume 0.77574E-03 ppm1 8.772 ppm2 3.995 CV 1 ASSI { 393} (( segid "ATXH" and resid 16 and name HN )) (( segid "ATXH" and resid 19 and name HN )) 3.300 1.400 1.400 peak 393 spectrum 1 weight 0.10000E+01 volume 0.76581E-03 ppm1 7.831 ppm2 8.606 CV 1 ASSI { 395} (( segid "ATXH" and resid 31 and name HA )) (( segid "ATXH" and resid 33 and name HN )) 3.400 1.400 1.400 peak 395 spectrum 1 weight 0.10000E+01 volume 0.75919E-03 ppm1 7.523 ppm2 4.430 CV 1 ASSI { 398} (( segid "ATXH" and resid 58 and name HN )) (( segid "ATXH" and resid 55 and name HN )) 3.400 1.500 1.500 peak 398 spectrum 1 weight 0.10000E+01 volume 0.75481E-03 ppm1 8.078 ppm2 7.581 CV 1 ASSI { 399} (( segid "ATXH" and resid 19 and name HB2 )) (( segid "ATXH" and resid 16 and name HN )) 3.500 1.500 1.500 peak 399 spectrum 1 weight 0.10000E+01 volume 0.75042E-03 ppm1 8.632 ppm2 3.270 CV 1 ASSI { 400} (( segid "ATXH" and resid 13 and name HA1 )) (( segid "ATXH" and resid 14 and name HN )) 3.300 1.400 1.400 peak 400 spectrum 1 weight 0.10000E+01 volume 0.74934E-03 ppm1 8.889 ppm2 3.744 CV 1 ASSI { 401} (( segid "ATXH" and resid 54 and name HN )) (( segid "ATXH" and resid 52 and name HN )) 3.800 1.800 1.800 peak 401 spectrum 1 weight 0.10000E+01 volume 0.74495E-03 ppm1 8.772 ppm2 8.023 CV 1 ASSI { 402} (( segid "ATXH" and resid 27 and name HA )) (( segid "ATXH" and resid 28 and name HN )) 3.400 1.500 1.500 peak 402 spectrum 1 weight 0.10000E+01 volume 0.73718E-03 ppm1 7.699 ppm2 3.673 CV 1 ASSI { 403} (( segid "ATXH" and resid 37 and name HB3 )) (( segid "ATXH" and resid 38 and name HN )) 3.700 1.700 1.700 peak 403 spectrum 1 weight 0.10000E+01 volume 0.73610E-03 ppm1 9.833 ppm2 1.622 CV 1 ASSI { 404} (( segid "ATXH" and resid 32 and name HA1 )) (( segid "ATXH" and resid 50 and name HN )) 3.500 1.500 1.500 peak 404 spectrum 1 weight 0.10000E+01 volume 0.73394E-03 ppm1 8.531 ppm2 3.666 CV 1 ASSI { 405} (( segid "ATXH" and resid 12 and name HN )) (( segid "ATXH" and resid 69 and name HN )) 3.300 1.400 1.400 peak 405 spectrum 1 weight 0.10000E+01 volume 0.73394E-03 ppm1 7.901 ppm2 9.288 CV 1 ASSI { 406} (( segid "ATXH" and resid 64 and name HA )) (( segid "ATXH" and resid 65 and name HN )) 3.400 1.400 1.400 peak 406 spectrum 1 weight 0.10000E+01 volume 0.72840E-03 ppm1 8.427 ppm2 4.669 CV 1 ASSI { 407} (( segid "ATXH" and resid 14 and name HA )) (( segid "ATXH" and resid 14 and name HN )) 3.300 1.400 1.400 peak 407 spectrum 1 weight 0.10000E+01 volume 0.72732E-03 ppm1 8.891 ppm2 5.008 CV 1 ASSI { 408} (( segid "ATXH" and resid 49 and name HB )) (( segid "ATXH" and resid 49 and name HN )) 3.500 1.500 1.500 peak 408 spectrum 1 weight 0.10000E+01 volume 0.72401E-03 ppm1 9.253 ppm2 1.556 CV 1 ASSI { 409} (( segid "ATXH" and resid 20 and name HA )) (( segid "ATXH" and resid 21 and name HN )) 3.400 1.500 1.500 peak 409 spectrum 1 weight 0.10000E+01 volume 0.71962E-03 ppm1 7.836 ppm2 3.235 CV 1 ASSI { 410} (( segid "ATXH" and resid 59 and name HA )) (( segid "ATXH" and resid 60 and name HN )) 3.400 1.500 1.500 peak 410 spectrum 1 weight 0.10000E+01 volume 0.71740E-03 ppm1 8.538 ppm2 3.487 CV 1 ASSI { 411} (( segid "ATXH" and resid 52 and name HA )) (( segid "ATXH" and resid 53 and name HN )) 3.400 1.500 1.500 peak 411 spectrum 1 weight 0.10000E+01 volume 0.71632E-03 ppm1 7.802 ppm2 4.467 CV 1 ASSI { 413} ( segid "ATXH" and resid 62 and name HG1%) (( segid "ATXH" and resid 63 and name HN )) 3.500 1.500 1.500 peak 413 spectrum 1 weight 0.10000E+01 volume 0.70531E-03 ppm1 7.635 ppm2 1.151 CV 1 ASSI { 414} ( segid "ATXH" and resid 54 and name HG2%) (( segid "ATXH" and resid 55 and name HN )) 3.300 1.400 1.400 peak 414 spectrum 1 weight 0.10000E+01 volume 0.69761E-03 ppm1 8.078 ppm2 0.728 CV 1 ASSI { 416} (( segid "ATXH" and resid 64 and name HA )) (( segid "ATXH" and resid 67 and name HN )) 3.700 1.700 1.700 peak 416 spectrum 1 weight 0.10000E+01 volume 0.69322E-03 ppm1 7.877 ppm2 4.674 CV 1 ASSI { 418} (( segid "ATXH" and resid 66 and name HA )) (( segid "ATXH" and resid 67 and name HN )) 3.400 1.500 1.500 peak 418 spectrum 1 weight 0.10000E+01 volume 0.67120E-03 ppm1 7.881 ppm2 4.276 CV 1 ASSI { 419} (( segid "ATXH" and resid 62 and name HA )) (( segid "ATXH" and resid 65 and name HN )) 3.500 1.500 1.500 peak 419 spectrum 1 weight 0.10000E+01 volume 0.66679E-03 ppm1 8.426 ppm2 3.874 CV 1 ASSI { 420} (( segid "ATXH" and resid 65 and name HA )) (( segid "ATXH" and resid 67 and name HN )) 3.400 1.500 1.500 peak 420 spectrum 1 weight 0.10000E+01 volume 0.65799E-03 ppm1 7.882 ppm2 4.510 CV 1 ASSI { 423} ( segid "ATXH" and resid 44 and name HG2%) (( segid "ATXH" and resid 11 and name HN )) 3.800 1.800 1.800 peak 423 spectrum 1 weight 0.10000E+01 volume 0.64809E-03 ppm1 8.525 ppm2 0.951 CV 1 ASSI { 424} (( segid "ATXH" and resid 39 and name HN )) (( segid "ATXH" and resid 44 and name HN )) 3.600 1.600 1.600 peak 424 spectrum 1 weight 0.10000E+01 volume 0.64809E-03 ppm1 7.597 ppm2 8.904 CV 1 ASSI { 425} ( segid "ATXH" and resid 53 and name HG2%) (( segid "ATXH" and resid 52 and name HN )) 3.600 1.600 1.600 peak 425 spectrum 1 weight 0.10000E+01 volume 0.64809E-03 ppm1 8.773 ppm2 0.816 CV 1 ASSI { 426} (( segid "ATXH" and resid 68 and name HN )) (( segid "ATXH" and resid 66 and name HN )) 3.900 1.900 1.900 peak 426 spectrum 1 weight 0.10000E+01 volume 0.64479E-03 ppm1 7.512 ppm2 6.787 CV 1 ASSI { 427} (( segid "ATXH" and resid 12 and name HB3 )) (( segid "ATXH" and resid 69 and name HN )) 3.500 1.600 1.600 peak 427 spectrum 1 weight 0.10000E+01 volume 0.64149E-03 ppm1 7.901 ppm2 1.975 CV 1 ASSI { 428} (( segid "ATXH" and resid 37 and name HB3 )) (( segid "ATXH" and resid 36 and name HN )) 3.500 3.500 2.500 peak 428 spectrum 1 weight 0.10000E+01 volume 0.64039E-03 ppm1 8.669 ppm2 1.582 CV 1 OR { 428} (( segid "ATXH" and resid 37 and name HD2 )) (( segid "ATXH" and resid 36 and name HN )) ASSI { 429} (( segid "ATXH" and resid 58 and name HA )) (( segid "ATXH" and resid 59 and name HN )) 3.500 1.500 1.500 peak 429 spectrum 1 weight 0.10000E+01 volume 0.63379E-03 ppm1 7.358 ppm2 4.371 CV 1 ASSI { 430} (( segid "ATXH" and resid 6 and name HB3 )) (( segid "ATXH" and resid 6 and name HE21)) 3.500 1.500 1.500 peak 430 spectrum 1 weight 0.10000E+01 volume 0.63048E-03 ppm1 7.326 ppm2 1.907 CV 1 ASSI { 432} ( segid "ATXH" and resid 20 and name HG2%) (( segid "ATXH" and resid 21 and name HN )) 3.700 1.700 1.700 peak 432 spectrum 1 weight 0.10000E+01 volume 0.62058E-03 ppm1 7.836 ppm2 0.881 CV 1 ASSI { 433} (( segid "ATXH" and resid 67 and name HA2 )) (( segid "ATXH" and resid 68 and name HN )) 3.800 1.800 1.800 peak 433 spectrum 1 weight 0.10000E+01 volume 0.61618E-03 ppm1 6.775 ppm2 3.954 CV 1 ASSI { 435} (( segid "ATXH" and resid 66 and name HB3 )) (( segid "ATXH" and resid 66 and name HE21)) 3.300 1.300 1.300 peak 435 spectrum 1 weight 0.10000E+01 volume 0.61068E-03 ppm1 7.521 ppm2 2.254 CV 1 ASSI { 436} (( segid "ATXH" and resid 38 and name HA )) (( segid "ATXH" and resid 38 and name HN )) 3.400 1.400 1.400 peak 436 spectrum 1 weight 0.10000E+01 volume 0.60958E-03 ppm1 9.835 ppm2 4.342 CV 1 ASSI { 437} (( segid "ATXH" and resid 23 and name HA )) (( segid "ATXH" and resid 26 and name HN )) 3.500 1.500 1.500 peak 437 spectrum 1 weight 0.10000E+01 volume 0.60848E-03 ppm1 7.529 ppm2 3.397 CV 1 ASSI { 438} ( segid "ATXH" and resid 54 and name HG1%) (( segid "ATXH" and resid 54 and name HN )) 3.300 1.400 1.400 peak 438 spectrum 1 weight 0.10000E+01 volume 0.60407E-03 ppm1 8.019 ppm2 1.175 CV 1 ASSI { 439} (( segid "ATXH" and resid 56 and name HG )) (( segid "ATXH" and resid 57 and name HN )) 3.500 1.500 1.500 peak 439 spectrum 1 weight 0.10000E+01 volume 0.60297E-03 ppm1 8.103 ppm2 0.872 CV 1 OR { 439} ( segid "ATXH" and resid 56 and name HD1%) (( segid "ATXH" and resid 57 and name HN )) OR { 439} ( segid "ATXH" and resid 56 and name HD2%) (( segid "ATXH" and resid 57 and name HN )) ASSI { 441} (( segid "ATXH" and resid 34 and name HN )) (( segid "ATXH" and resid 33 and name HN )) 3.900 1.900 1.900 peak 441 spectrum 1 weight 0.10000E+01 volume 0.60187E-03 ppm1 7.529 ppm2 8.797 CV 1 ASSI { 442} (( segid "ATXH" and resid 58 and name HB3 )) (( segid "ATXH" and resid 58 and name HN )) 4.100 2.100 1.900 peak 442 spectrum 1 weight 0.10000E+01 volume 0.59748E-03 ppm1 7.584 ppm2 2.585 CV 1 ASSI { 443} ( segid "ATXH" and resid 54 and name HG1%) (( segid "ATXH" and resid 33 and name HN )) 3.500 1.600 1.600 peak 443 spectrum 1 weight 0.10000E+01 volume 0.59197E-03 ppm1 7.526 ppm2 1.163 CV 1 ASSI { 445} (( segid "ATXH" and resid 5 and name HG3 )) (( segid "ATXH" and resid 51 and name HN )) 3.500 1.500 1.500 peak 445 spectrum 1 weight 0.10000E+01 volume 0.58317E-03 ppm1 8.793 ppm2 1.986 CV 1 OR { 445} (( segid "ATXH" and resid 5 and name HB2 )) (( segid "ATXH" and resid 51 and name HN )) ASSI { 446} (( segid "ATXH" and resid 33 and name HA )) (( segid "ATXH" and resid 50 and name HN )) 3.600 1.600 1.600 peak 446 spectrum 1 weight 0.10000E+01 volume 0.58317E-03 ppm1 8.529 ppm2 4.067 CV 1 ASSI { 447} (( segid "ATXH" and resid 14 and name HA )) (( segid "ATXH" and resid 16 and name HN )) 4.000 2.000 2.000 peak 447 spectrum 1 weight 0.10000E+01 volume 0.57987E-03 ppm1 8.635 ppm2 5.051 CV 1 ASSI { 448} (( segid "ATXH" and resid 5 and name HN )) (( segid "ATXH" and resid 4 and name HN )) 3.900 1.900 1.900 peak 448 spectrum 1 weight 0.10000E+01 volume 0.57547E-03 ppm1 8.151 ppm2 9.161 CV 1 ASSI { 450} (( segid "ATXH" and resid 33 and name HB )) (( segid "ATXH" and resid 32 and name HN )) 4.100 2.100 1.900 peak 450 spectrum 1 weight 0.10000E+01 volume 0.56777E-03 ppm1 8.559 ppm2 2.262 CV 1 ASSI { 451} (( segid "ATXH" and resid 9 and name HG )) (( segid "ATXH" and resid 9 and name HN )) 3.500 3.500 2.500 peak 451 spectrum 1 weight 0.10000E+01 volume 0.55896E-03 ppm1 9.296 ppm2 0.633 CV 1 OR { 451} ( segid "ATXH" and resid 9 and name HD1%) (( segid "ATXH" and resid 9 and name HN )) ASSI { 453} ( segid "ATXH" and resid 11 and name HG1%) (( segid "ATXH" and resid 14 and name HN )) 3.700 1.700 1.700 peak 453 spectrum 1 weight 0.10000E+01 volume 0.55346E-03 ppm1 8.891 ppm2 0.653 CV 1 ASSI { 454} (( segid "ATXH" and resid 2 and name HA )) (( segid "ATXH" and resid 3 and name HN )) 3.500 1.600 1.600 peak 454 spectrum 1 weight 0.10000E+01 volume 0.55016E-03 ppm1 8.436 ppm2 4.706 CV 1 ASSI { 456} (( segid "ATXH" and resid 60 and name HA )) (( segid "ATXH" and resid 63 and name HN )) 3.600 1.600 1.600 peak 456 spectrum 1 weight 0.10000E+01 volume 0.54026E-03 ppm1 7.636 ppm2 3.257 CV 1 ASSI { 460} (( segid "ATXH" and resid 9 and name HB3 )) (( segid "ATXH" and resid 9 and name HN )) 3.600 1.700 1.700 peak 460 spectrum 1 weight 0.10000E+01 volume 0.52045E-03 ppm1 9.295 ppm2 1.278 CV 1 ASSI { 461} (( segid "ATXH" and resid 25 and name HA )) (( segid "ATXH" and resid 28 and name HN )) 3.700 1.700 1.700 peak 461 spectrum 1 weight 0.10000E+01 volume 0.51055E-03 ppm1 7.694 ppm2 4.064 CV 1 ASSI { 462} ( segid "ATXH" and resid 27 and name HG1%) (( segid "ATXH" and resid 26 and name HN )) 3.800 1.800 1.800 peak 462 spectrum 1 weight 0.10000E+01 volume 0.50835E-03 ppm1 7.527 ppm2 0.896 CV 1 OR { 462} ( segid "ATXH" and resid 27 and name HG2%) (( segid "ATXH" and resid 26 and name HN )) ASSI { 464} (( segid "ATXH" and resid 6 and name HG2 )) (( segid "ATXH" and resid 7 and name HN )) 4.000 2.000 2.000 peak 464 spectrum 1 weight 0.10000E+01 volume 0.50285E-03 ppm1 9.259 ppm2 2.199 CV 1 ASSI { 465} (( segid "ATXH" and resid 47 and name HA )) (( segid "ATXH" and resid 37 and name HN )) 3.700 1.700 1.700 peak 465 spectrum 1 weight 0.10000E+01 volume 0.49295E-03 ppm1 8.994 ppm2 5.003 CV 1 ASSI { 466} (( segid "ATXH" and resid 64 and name HN )) (( segid "ATXH" and resid 66 and name HN )) 3.800 1.800 1.800 peak 466 spectrum 1 weight 0.10000E+01 volume 0.49075E-03 ppm1 7.507 ppm2 9.000 CV 1 ASSI { 467} (( segid "ATXH" and resid 26 and name HB2 )) (( segid "ATXH" and resid 27 and name HN )) 3.800 1.800 1.800 peak 467 spectrum 1 weight 0.10000E+01 volume 0.48854E-03 ppm1 8.176 ppm2 3.876 CV 1 ASSI { 468} ( segid "ATXH" and resid 55 and name HG2%) (( segid "ATXH" and resid 57 and name HN )) 4.000 2.000 2.000 peak 468 spectrum 1 weight 0.10000E+01 volume 0.48304E-03 ppm1 8.101 ppm2 1.181 CV 1 ASSI { 469} ( segid "ATXH" and resid 40 and name HD2%) (( segid "ATXH" and resid 43 and name HN )) 3.300 1.400 1.400 peak 469 spectrum 1 weight 0.10000E+01 volume 0.48194E-03 ppm1 7.933 ppm2 0.771 CV 1 ASSI { 470} (( segid "ATXH" and resid 51 and name HB2 )) (( segid "ATXH" and resid 51 and name HN )) 4.100 2.100 1.900 peak 470 spectrum 1 weight 0.10000E+01 volume 0.48084E-03 ppm1 8.793 ppm2 4.205 CV 1 ASSI { 471} (( segid "ATXH" and resid 7 and name HB3 )) (( segid "ATXH" and resid 8 and name HN )) 3.600 1.600 1.600 peak 471 spectrum 1 weight 0.10000E+01 volume 0.47864E-03 ppm1 8.805 ppm2 1.410 CV 1 ASSI { 472} (( segid "ATXH" and resid 53 and name HB )) (( segid "ATXH" and resid 32 and name HN )) 4.100 2.100 1.900 peak 472 spectrum 1 weight 0.10000E+01 volume 0.47754E-03 ppm1 8.559 ppm2 2.004 CV 1 ASSI { 473} (( segid "ATXH" and resid 68 and name HB3 )) (( segid "ATXH" and resid 67 and name HN )) 4.600 2.600 1.400 peak 473 spectrum 1 weight 0.10000E+01 volume 0.47754E-03 ppm1 7.880 ppm2 2.299 CV 1 ASSI { 474} (( segid "ATXH" and resid 39 and name HA )) (( segid "ATXH" and resid 39 and name HN )) 3.600 1.600 1.600 peak 474 spectrum 1 weight 0.10000E+01 volume 0.47644E-03 ppm1 8.890 ppm2 4.726 CV 1 ASSI { 476} (( segid "ATXH" and resid 64 and name HG2 )) (( segid "ATXH" and resid 70 and name HN )) 3.500 1.500 1.500 peak 476 spectrum 1 weight 0.10000E+01 volume 0.46984E-03 ppm1 9.463 ppm2 2.679 CV 1 ASSI { 478} ( segid "ATXH" and resid 38 and name HG1%) (( segid "ATXH" and resid 39 and name HN )) 3.700 1.800 1.800 peak 478 spectrum 1 weight 0.10000E+01 volume 0.45773E-03 ppm1 8.892 ppm2 0.990 CV 1 ASSI { 481} ( segid "ATXH" and resid 38 and name HG1%) (( segid "ATXH" and resid 23 and name HN )) 3.400 1.400 1.400 peak 481 spectrum 1 weight 0.10000E+01 volume 0.44233E-03 ppm1 8.270 ppm2 1.005 CV 1 ASSI { 482} (( segid "ATXH" and resid 19 and name HA )) (( segid "ATXH" and resid 20 and name HN )) 3.700 1.700 1.700 peak 482 spectrum 1 weight 0.10000E+01 volume 0.43903E-03 ppm1 7.020 ppm2 4.102 CV 1 ASSI { 483} (( segid "ATXH" and resid 50 and name HB2 )) (( segid "ATXH" and resid 53 and name HN )) 4.400 2.400 1.600 peak 483 spectrum 1 weight 0.10000E+01 volume 0.43793E-03 ppm1 7.803 ppm2 2.942 CV 1 ASSI { 484} (( segid "ATXH" and resid 7 and name HB3 )) (( segid "ATXH" and resid 7 and name HN )) 4.200 2.200 1.800 peak 484 spectrum 1 weight 0.10000E+01 volume 0.42803E-03 ppm1 9.258 ppm2 1.413 CV 1 ASSI { 485} (( segid "ATXH" and resid 51 and name HN )) (( segid "ATXH" and resid 5 and name HN )) 3.700 1.700 1.700 peak 485 spectrum 1 weight 0.10000E+01 volume 0.42803E-03 ppm1 9.160 ppm2 8.791 CV 1 ASSI { 486} (( segid "ATXH" and resid 20 and name HN )) (( segid "ATXH" and resid 19 and name HN )) 3.600 1.700 1.700 peak 486 spectrum 1 weight 0.10000E+01 volume 0.42803E-03 ppm1 7.842 ppm2 7.019 CV 1 ASSI { 489} (( segid "ATXH" and resid 23 and name HA )) (( segid "ATXH" and resid 24 and name HN )) 3.700 1.700 1.700 peak 489 spectrum 1 weight 0.10000E+01 volume 0.42473E-03 ppm1 8.599 ppm2 3.388 CV 1 ASSI { 494} (( segid "ATXH" and resid 30 and name HB3 )) (( segid "ATXH" and resid 33 and name HN )) 3.800 1.800 1.800 peak 494 spectrum 1 weight 0.10000E+01 volume 0.41372E-03 ppm1 7.526 ppm2 1.318 CV 1 ASSI { 497} (( segid "ATXH" and resid 69 and name HB3 )) (( segid "ATXH" and resid 12 and name HN )) 3.900 1.900 1.900 peak 497 spectrum 1 weight 0.10000E+01 volume 0.40932E-03 ppm1 9.283 ppm2 2.443 CV 1 ASSI { 498} (( segid "ATXH" and resid 47 and name HA )) (( segid "ATXH" and resid 36 and name HN )) 3.400 3.400 2.600 peak 498 spectrum 1 weight 0.10000E+01 volume 0.40492E-03 ppm1 8.671 ppm2 5.005 CV 1 ASSI { 499} (( segid "ATXH" and resid 64 and name HB3 )) (( segid "ATXH" and resid 65 and name HN )) 3.900 1.900 1.900 peak 499 spectrum 1 weight 0.10000E+01 volume 0.40052E-03 ppm1 8.425 ppm2 2.006 CV 1 ASSI { 501} (( segid "ATXH" and resid 21 and name HA )) (( segid "ATXH" and resid 25 and name HN )) 4.000 2.000 2.000 peak 501 spectrum 1 weight 0.10000E+01 volume 0.39832E-03 ppm1 8.209 ppm2 4.443 CV 1 ASSI { 502} (( segid "ATXH" and resid 6 and name HB2 )) (( segid "ATXH" and resid 7 and name HN )) 4.200 2.300 1.800 peak 502 spectrum 1 weight 0.10000E+01 volume 0.39832E-03 ppm1 9.259 ppm2 1.997 CV 1 OR { 502} (( segid "ATXH" and resid 6 and name HG3 )) (( segid "ATXH" and resid 7 and name HN )) ASSI { 504} (( segid "ATXH" and resid 39 and name HB2 )) (( segid "ATXH" and resid 43 and name HN )) 3.800 1.800 1.800 peak 504 spectrum 1 weight 0.10000E+01 volume 0.39501E-03 ppm1 7.937 ppm2 2.301 CV 1 ASSI { 505} (( segid "ATXH" and resid 63 and name HA )) (( segid "ATXH" and resid 66 and name HN )) 3.700 1.700 1.700 peak 505 spectrum 1 weight 0.10000E+01 volume 0.39501E-03 ppm1 7.509 ppm2 3.461 CV 1 ASSI { 507} (( segid "ATXH" and resid 51 and name HB3 )) (( segid "ATXH" and resid 5 and name HN )) 3.800 1.800 1.800 peak 507 spectrum 1 weight 0.10000E+01 volume 0.38732E-03 ppm1 9.135 ppm2 3.813 CV 1 ASSI { 508} ( segid "ATXH" and resid 48 and name HG2%) (( segid "ATXH" and resid 48 and name HN )) 4.200 2.200 1.800 peak 508 spectrum 1 weight 0.10000E+01 volume 0.38732E-03 ppm1 8.716 ppm2 1.101 CV 1 ASSI { 510} (( segid "ATXH" and resid 71 and name HN )) (( segid "ATXH" and resid 10 and name HN )) 3.800 1.800 1.800 peak 510 spectrum 1 weight 0.10000E+01 volume 0.37741E-03 ppm1 9.038 ppm2 8.796 CV 1 ASSI { 511} (( segid "ATXH" and resid 59 and name HA )) (( segid "ATXH" and resid 61 and name HN )) 3.900 1.900 1.900 peak 511 spectrum 1 weight 0.10000E+01 volume 0.37081E-03 ppm1 7.709 ppm2 3.489 CV 1 ASSI { 512} (( segid "ATXH" and resid 48 and name HB )) (( segid "ATXH" and resid 49 and name HN )) 4.000 2.000 2.000 peak 512 spectrum 1 weight 0.10000E+01 volume 0.37081E-03 ppm1 9.254 ppm2 3.876 CV 1 ASSI { 513} (( segid "ATXH" and resid 7 and name HB3 )) (( segid "ATXH" and resid 47 and name HN )) 3.800 1.800 1.800 peak 513 spectrum 1 weight 0.10000E+01 volume 0.37081E-03 ppm1 9.165 ppm2 1.395 CV 1 ASSI { 516} (( segid "ATXH" and resid 32 and name HN )) (( segid "ATXH" and resid 54 and name HN )) 4.400 2.500 1.600 peak 516 spectrum 1 weight 0.10000E+01 volume 0.36751E-03 ppm1 8.012 ppm2 8.595 CV 1 ASSI { 517} (( segid "ATXH" and resid 63 and name HA )) (( segid "ATXH" and resid 64 and name HN )) 3.800 1.800 1.800 peak 517 spectrum 1 weight 0.10000E+01 volume 0.36311E-03 ppm1 9.006 ppm2 3.462 CV 1 ASSI { 520} ( segid "ATXH" and resid 61 and name HB% ) (( segid "ATXH" and resid 65 and name HN )) 4.000 2.000 2.000 peak 520 spectrum 1 weight 0.10000E+01 volume 0.35760E-03 ppm1 8.423 ppm2 1.510 CV 1 ASSI { 521} (( segid "ATXH" and resid 65 and name HB2 )) (( segid "ATXH" and resid 64 and name HN )) 4.400 2.400 1.600 peak 521 spectrum 1 weight 0.10000E+01 volume 0.35760E-03 ppm1 9.007 ppm2 2.894 CV 1 ASSI { 525} (( segid "ATXH" and resid 63 and name HA )) (( segid "ATXH" and resid 65 and name HN )) 3.900 1.900 1.900 peak 525 spectrum 1 weight 0.10000E+01 volume 0.34990E-03 ppm1 8.428 ppm2 3.481 CV 1 ASSI { 526} (( segid "ATXH" and resid 70 and name HN )) (( segid "ATXH" and resid 69 and name HN )) 3.900 1.900 1.900 peak 526 spectrum 1 weight 0.10000E+01 volume 0.34770E-03 ppm1 7.900 ppm2 9.472 CV 1 ASSI { 527} ( segid "ATXH" and resid 8 and name HG2%) (( segid "ATXH" and resid 8 and name HN )) 4.300 2.300 1.700 peak 527 spectrum 1 weight 0.10000E+01 volume 0.34660E-03 ppm1 8.802 ppm2 1.082 CV 1 ASSI { 528} (( segid "ATXH" and resid 39 and name HB2 )) (( segid "ATXH" and resid 40 and name HN )) 4.300 2.300 1.700 peak 528 spectrum 1 weight 0.10000E+01 volume 0.34440E-03 ppm1 8.606 ppm2 2.327 CV 1 ASSI { 529} ( segid "ATXH" and resid 3 and name HB% ) (( segid "ATXH" and resid 52 and name HN )) 3.900 1.900 1.900 peak 529 spectrum 1 weight 0.10000E+01 volume 0.33890E-03 ppm1 8.772 ppm2 1.359 CV 1 ASSI { 530} (( segid "ATXH" and resid 6 and name HG2 )) (( segid "ATXH" and resid 6 and name HE22)) 4.400 2.400 1.600 peak 530 spectrum 1 weight 0.10000E+01 volume 0.33780E-03 ppm1 6.700 ppm2 2.201 CV 1 ASSI { 531} (( segid "ATXH" and resid 54 and name HA )) (( segid "ATXH" and resid 53 and name HN )) 4.100 2.100 1.900 peak 531 spectrum 1 weight 0.10000E+01 volume 0.33780E-03 ppm1 7.801 ppm2 4.646 CV 1 ASSI { 532} (( segid "ATXH" and resid 58 and name HA )) (( segid "ATXH" and resid 62 and name HN )) 3.900 1.900 1.900 peak 532 spectrum 1 weight 0.10000E+01 volume 0.33560E-03 ppm1 7.189 ppm2 4.361 CV 1 ASSI { 533} (( segid "ATXH" and resid 4 and name HG3 )) (( segid "ATXH" and resid 5 and name HN )) 4.400 2.400 1.600 peak 533 spectrum 1 weight 0.10000E+01 volume 0.33450E-03 ppm1 9.157 ppm2 2.448 CV 1 ASSI { 534} (( segid "ATXH" and resid 24 and name HA )) (( segid "ATXH" and resid 25 and name HN )) 3.900 1.900 1.900 peak 534 spectrum 1 weight 0.10000E+01 volume 0.33119E-03 ppm1 8.209 ppm2 3.629 CV 1 ASSI { 536} ( segid "ATXH" and resid 48 and name HG2%) (( segid "ATXH" and resid 34 and name HN )) 4.000 2.000 2.000 peak 536 spectrum 1 weight 0.10000E+01 volume 0.32679E-03 ppm1 8.783 ppm2 1.107 CV 1 ASSI { 538} (( segid "ATXH" and resid 60 and name HN )) (( segid "ATXH" and resid 62 and name HN )) 4.000 2.000 2.000 peak 538 spectrum 1 weight 0.10000E+01 volume 0.32019E-03 ppm1 7.191 ppm2 8.526 CV 1 ASSI { 539} (( segid "ATXH" and resid 63 and name HG13)) (( segid "ATXH" and resid 62 and name HN )) 4.300 2.300 1.700 peak 539 spectrum 1 weight 0.10000E+01 volume 0.31909E-03 ppm1 7.189 ppm2 0.576 CV 1 ASSI { 540} (( segid "ATXH" and resid 26 and name HA )) (( segid "ATXH" and resid 27 and name HN )) 3.900 1.900 1.900 peak 540 spectrum 1 weight 0.10000E+01 volume 0.31909E-03 ppm1 8.178 ppm2 4.143 CV 1 ASSI { 541} (( segid "ATXH" and resid 50 and name HB3 )) (( segid "ATXH" and resid 51 and name HN )) 4.200 2.200 1.800 peak 541 spectrum 1 weight 0.10000E+01 volume 0.31799E-03 ppm1 8.792 ppm2 2.467 CV 1 ASSI { 542} ( segid "ATXH" and resid 41 and name HB% ) (( segid "ATXH" and resid 43 and name HN )) 4.400 2.500 1.600 peak 542 spectrum 1 weight 0.10000E+01 volume 0.31689E-03 ppm1 7.939 ppm2 1.388 CV 1 ASSI { 543} (( segid "ATXH" and resid 45 and name HA )) (( segid "ATXH" and resid 46 and name HN )) 3.700 1.700 1.700 peak 543 spectrum 1 weight 0.10000E+01 volume 0.31469E-03 ppm1 9.024 ppm2 4.460 CV 1 ASSI { 544} (( segid "ATXH" and resid 23 and name HN )) (( segid "ATXH" and resid 21 and name HN )) 4.100 2.100 1.900 peak 544 spectrum 1 weight 0.10000E+01 volume 0.31469E-03 ppm1 7.836 ppm2 8.271 CV 1 ASSI { 545} (( segid "ATXH" and resid 12 and name HB3 )) (( segid "ATXH" and resid 13 and name HN )) 4.200 2.200 1.800 peak 545 spectrum 1 weight 0.10000E+01 volume 0.31139E-03 ppm1 8.566 ppm2 1.977 CV 1 ASSI { 547} ( segid "ATXH" and resid 48 and name HG2%) (( segid "ATXH" and resid 6 and name HE21)) 3.600 1.600 1.600 peak 547 spectrum 1 weight 0.10000E+01 volume 0.31139E-03 ppm1 7.327 ppm2 1.108 CV 1 ASSI { 548} (( segid "ATXH" and resid 50 and name HB2 )) (( segid "ATXH" and resid 51 and name HN )) 4.600 2.700 1.400 peak 548 spectrum 1 weight 0.10000E+01 volume 0.31029E-03 ppm1 8.792 ppm2 2.947 CV 1 ASSI { 549} (( segid "ATXH" and resid 23 and name HA )) (( segid "ATXH" and resid 27 and name HN )) 4.000 2.000 2.000 peak 549 spectrum 1 weight 0.10000E+01 volume 0.30699E-03 ppm1 8.174 ppm2 3.398 CV 1 ASSI { 550} (( segid "ATXH" and resid 54 and name HB )) (( segid "ATXH" and resid 53 and name HN )) 4.600 2.600 1.400 peak 550 spectrum 1 weight 0.10000E+01 volume 0.30589E-03 ppm1 7.801 ppm2 2.393 CV 1 ASSI { 551} (( segid "ATXH" and resid 69 and name HB2 )) (( segid "ATXH" and resid 12 and name HN )) 4.000 2.000 2.000 peak 551 spectrum 1 weight 0.10000E+01 volume 0.30259E-03 ppm1 9.296 ppm2 2.599 CV 1 ASSI { 552} ( segid "ATXH" and resid 38 and name HG1%) (( segid "ATXH" and resid 40 and name HN )) 3.900 1.900 1.900 peak 552 spectrum 1 weight 0.10000E+01 volume 0.30259E-03 ppm1 8.606 ppm2 0.990 CV 1 ASSI { 553} (( segid "ATXH" and resid 61 and name HA )) (( segid "ATXH" and resid 65 and name HN )) 3.900 1.900 1.900 peak 553 spectrum 1 weight 0.10000E+01 volume 0.30149E-03 ppm1 8.426 ppm2 4.207 CV 1 ASSI { 555} (( segid "ATXH" and resid 35 and name HN )) (( segid "ATXH" and resid 36 and name HN )) 4.300 2.300 1.700 peak 555 spectrum 1 weight 0.10000E+01 volume 0.29048E-03 ppm1 8.666 ppm2 7.516 CV 1 ASSI { 557} (( segid "ATXH" and resid 31 and name HN )) (( segid "ATXH" and resid 30 and name HN )) 4.500 2.600 1.500 peak 557 spectrum 1 weight 0.10000E+01 volume 0.28498E-03 ppm1 7.447 ppm2 8.598 CV 1 ASSI { 559} (( segid "ATXH" and resid 46 and name HA )) (( segid "ATXH" and resid 9 and name HN )) 4.100 2.100 1.900 peak 559 spectrum 1 weight 0.10000E+01 volume 0.28279E-03 ppm1 9.294 ppm2 5.232 CV 1 ASSI { 560} ( segid "ATXH" and resid 22 and name HB% ) (( segid "ATXH" and resid 21 and name HN )) 4.500 2.500 1.500 peak 560 spectrum 1 weight 0.10000E+01 volume 0.28279E-03 ppm1 7.834 ppm2 1.598 CV 1 ASSI { 561} ( segid "ATXH" and resid 41 and name HB% ) (( segid "ATXH" and resid 44 and name HN )) 4.500 2.500 1.500 peak 561 spectrum 1 weight 0.10000E+01 volume 0.28168E-03 ppm1 7.601 ppm2 1.390 CV 1 ASSI { 562} (( segid "ATXH" and resid 11 and name HN )) (( segid "ATXH" and resid 10 and name HN )) 4.400 2.400 1.600 peak 562 spectrum 1 weight 0.10000E+01 volume 0.27948E-03 ppm1 9.030 ppm2 8.530 CV 1 ASSI { 563} (( segid "ATXH" and resid 60 and name HA )) (( segid "ATXH" and resid 64 and name HN )) 4.100 2.100 1.900 peak 563 spectrum 1 weight 0.10000E+01 volume 0.27728E-03 ppm1 9.006 ppm2 3.253 CV 1 ASSI { 564} (( segid "ATXH" and resid 5 and name HG2 )) (( segid "ATXH" and resid 51 and name HN )) 4.000 2.000 2.000 peak 564 spectrum 1 weight 0.10000E+01 volume 0.27508E-03 ppm1 8.793 ppm2 2.195 CV 1 ASSI { 566} (( segid "ATXH" and resid 41 and name HN )) (( segid "ATXH" and resid 42 and name HN )) 3.900 1.900 1.900 peak 566 spectrum 1 weight 0.10000E+01 volume 0.27398E-03 ppm1 7.560 ppm2 8.688 CV 1 ASSI { 567} (( segid "ATXH" and resid 52 and name HB3 )) (( segid "ATXH" and resid 53 and name HN )) 4.100 2.100 1.900 peak 567 spectrum 1 weight 0.10000E+01 volume 0.27178E-03 ppm1 7.802 ppm2 3.843 CV 1 ASSI { 568} ( segid "ATXH" and resid 41 and name HB% ) (( segid "ATXH" and resid 41 and name HN )) 4.000 2.000 2.000 peak 568 spectrum 1 weight 0.10000E+01 volume 0.27068E-03 ppm1 8.697 ppm2 1.375 CV 1 ASSI { 569} (( segid "ATXH" and resid 46 and name HB3 )) (( segid "ATXH" and resid 46 and name HN )) 3.900 1.900 1.900 peak 569 spectrum 1 weight 0.10000E+01 volume 0.26958E-03 ppm1 9.022 ppm2 1.937 CV 1 OR { 569} (( segid "ATXH" and resid 46 and name HB2 )) (( segid "ATXH" and resid 46 and name HN )) ASSI { 572} (( segid "ATXH" and resid 7 and name HB2 )) (( segid "ATXH" and resid 8 and name HN )) 4.600 2.600 1.400 peak 572 spectrum 1 weight 0.10000E+01 volume 0.25748E-03 ppm1 8.804 ppm2 1.573 CV 1 ASSI { 578} (( segid "ATXH" and resid 68 and name HN )) (( segid "ATXH" and resid 69 and name HN )) 4.400 2.400 1.600 peak 578 spectrum 1 weight 0.10000E+01 volume 0.23987E-03 ppm1 7.900 ppm2 6.767 CV 1 ASSI { 579} (( segid "ATXH" and resid 4 and name HG2 )) (( segid "ATXH" and resid 5 and name HN )) 4.700 2.700 1.300 peak 579 spectrum 1 weight 0.10000E+01 volume 0.23877E-03 ppm1 9.165 ppm2 2.639 CV 1 ASSI { 580} ( segid "ATXH" and resid 3 and name HB% ) (( segid "ATXH" and resid 3 and name HN )) 4.100 2.100 1.900 peak 580 spectrum 1 weight 0.10000E+01 volume 0.23767E-03 ppm1 8.441 ppm2 1.365 CV 1 ASSI { 581} (( segid "ATXH" and resid 44 and name HB )) (( segid "ATXH" and resid 9 and name HN )) 4.200 2.200 1.800 peak 581 spectrum 1 weight 0.10000E+01 volume 0.23657E-03 ppm1 9.292 ppm2 3.986 CV 1 ASSI { 582} (( segid "ATXH" and resid 36 and name HA )) (( segid "ATXH" and resid 37 and name HN )) 3.900 1.900 1.900 peak 582 spectrum 1 weight 0.10000E+01 volume 0.23437E-03 ppm1 9.027 ppm2 4.941 CV 1 ASSI { 583} (( segid "ATXH" and resid 29 and name HG2 )) (( segid "ATXH" and resid 30 and name HN )) 3.800 1.800 1.800 peak 583 spectrum 1 weight 0.10000E+01 volume 0.23217E-03 ppm1 7.447 ppm2 2.478 CV 1 ASSI { 584} (( segid "ATXH" and resid 50 and name HB2 )) (( segid "ATXH" and resid 52 and name HN )) 4.500 2.500 1.500 peak 584 spectrum 1 weight 0.10000E+01 volume 0.23217E-03 ppm1 8.772 ppm2 2.945 CV 1 ASSI { 585} (( segid "ATXH" and resid 43 and name HA1 )) (( segid "ATXH" and resid 11 and name HN )) 4.100 2.100 1.900 peak 585 spectrum 1 weight 0.10000E+01 volume 0.23217E-03 ppm1 8.527 ppm2 3.617 CV 1 ASSI { 586} (( segid "ATXH" and resid 62 and name HN )) (( segid "ATXH" and resid 64 and name HN )) 4.300 2.300 1.700 peak 586 spectrum 1 weight 0.10000E+01 volume 0.23107E-03 ppm1 9.004 ppm2 7.192 CV 1 ASSI { 587} (( segid "ATXH" and resid 6 and name HB3 )) (( segid "ATXH" and resid 6 and name HE22)) 4.500 2.500 1.500 peak 587 spectrum 1 weight 0.10000E+01 volume 0.22997E-03 ppm1 6.699 ppm2 1.927 CV 1 ASSI { 590} (( segid "ATXH" and resid 23 and name HA )) (( segid "ATXH" and resid 25 and name HN )) 4.300 2.300 1.700 peak 590 spectrum 1 weight 0.10000E+01 volume 0.22336E-03 ppm1 8.204 ppm2 3.394 CV 1 ASSI { 591} ( segid "ATXH" and resid 61 and name HB% ) (( segid "ATXH" and resid 63 and name HN )) 4.600 2.600 1.400 peak 591 spectrum 1 weight 0.10000E+01 volume 0.22116E-03 ppm1 7.635 ppm2 1.476 CV 1 ASSI { 592} (( segid "ATXH" and resid 24 and name HN )) (( segid "ATXH" and resid 26 and name HN )) 4.200 2.200 1.800 peak 592 spectrum 1 weight 0.10000E+01 volume 0.21897E-03 ppm1 7.527 ppm2 8.619 CV 1 ASSI { 593} (( segid "ATXH" and resid 56 and name HN )) (( segid "ATXH" and resid 58 and name HN )) 4.400 2.400 1.600 peak 593 spectrum 1 weight 0.10000E+01 volume 0.21787E-03 ppm1 7.578 ppm2 8.790 CV 1 ASSI { 594} (( segid "ATXH" and resid 28 and name HG2 )) (( segid "ATXH" and resid 29 and name HN )) 4.400 2.400 1.600 peak 594 spectrum 1 weight 0.10000E+01 volume 0.21346E-03 ppm1 6.865 ppm2 1.486 CV 1 ASSI { 595} (( segid "ATXH" and resid 28 and name HE2 )) (( segid "ATXH" and resid 36 and name HN )) 4.100 2.100 1.900 peak 595 spectrum 1 weight 0.10000E+01 volume 0.21236E-03 ppm1 8.670 ppm2 2.936 CV 1 ASSI { 597} (( segid "ATXH" and resid 62 and name HN )) (( segid "ATXH" and resid 65 and name HN )) 4.300 2.300 1.700 peak 597 spectrum 1 weight 0.10000E+01 volume 0.20576E-03 ppm1 8.436 ppm2 7.173 CV 1 ASSI { 598} ( segid "ATXH" and resid 7 and name HD2%) (( segid "ATXH" and resid 8 and name HN )) 4.400 2.400 1.600 peak 598 spectrum 1 weight 0.10000E+01 volume 0.20576E-03 ppm1 8.805 ppm2 0.861 CV 1 ASSI { 599} (( segid "ATXH" and resid 62 and name HA )) (( segid "ATXH" and resid 63 and name HN )) 4.200 2.200 1.800 peak 599 spectrum 1 weight 0.10000E+01 volume 0.20466E-03 ppm1 7.634 ppm2 3.868 CV 1 ASSI { 600} (( segid "ATXH" and resid 29 and name HN )) (( segid "ATXH" and resid 27 and name HN )) 4.300 2.300 1.700 peak 600 spectrum 1 weight 0.10000E+01 volume 0.20356E-03 ppm1 8.179 ppm2 6.869 CV 1 ASSI { 602} ( segid "ATXH" and resid 45 and name HG2%) (( segid "ATXH" and resid 39 and name HN )) 4.200 2.300 1.800 peak 602 spectrum 1 weight 0.10000E+01 volume 0.20136E-03 ppm1 8.890 ppm2 0.593 CV 1 ASSI { 604} ( segid "ATXH" and resid 20 and name HG2%) (( segid "ATXH" and resid 22 and name HN )) 4.500 2.500 1.500 peak 604 spectrum 1 weight 0.10000E+01 volume 0.20026E-03 ppm1 8.537 ppm2 0.897 CV 1 ASSI { 605} (( segid "ATXH" and resid 6 and name HN )) (( segid "ATXH" and resid 5 and name HN )) 4.500 2.600 1.500 peak 605 spectrum 1 weight 0.10000E+01 volume 0.19256E-03 ppm1 9.163 ppm2 8.631 CV 1 ASSI { 606} (( segid "ATXH" and resid 64 and name HB3 )) (( segid "ATXH" and resid 68 and name HN )) 4.500 2.600 1.500 peak 606 spectrum 1 weight 0.10000E+01 volume 0.19036E-03 ppm1 6.772 ppm2 2.017 CV 1 ASSI { 607} (( segid "ATXH" and resid 39 and name HB3 )) (( segid "ATXH" and resid 40 and name HN )) 4.500 2.600 1.500 peak 607 spectrum 1 weight 0.10000E+01 volume 0.18926E-03 ppm1 8.608 ppm2 2.058 CV 1 OR { 607} (( segid "ATXH" and resid 39 and name HG3 )) (( segid "ATXH" and resid 40 and name HN )) ASSI { 608} (( segid "ATXH" and resid 52 and name HB2 )) (( segid "ATXH" and resid 53 and name HN )) 4.600 2.600 1.400 peak 608 spectrum 1 weight 0.10000E+01 volume 0.18155E-03 ppm1 7.806 ppm2 3.997 CV 1 ASSI { 609} (( segid "ATXH" and resid 66 and name HA )) (( segid "ATXH" and resid 68 and name HN )) 5.100 3.200 0.900 peak 609 spectrum 1 weight 0.10000E+01 volume 0.18155E-03 ppm1 6.770 ppm2 4.264 CV 1 ASSI { 610} (( segid "ATXH" and resid 20 and name HN )) (( segid "ATXH" and resid 22 and name HN )) 4.300 2.400 1.700 peak 610 spectrum 1 weight 0.10000E+01 volume 0.18155E-03 ppm1 8.535 ppm2 7.011 CV 1 ASSI { 611} ( segid "ATXH" and resid 40 and name HD1%) (( segid "ATXH" and resid 40 and name HN )) 4.700 2.800 1.300 peak 611 spectrum 1 weight 0.10000E+01 volume 0.18045E-03 ppm1 8.609 ppm2 0.787 CV 1 OR { 611} ( segid "ATXH" and resid 40 and name HD2%) (( segid "ATXH" and resid 40 and name HN )) ASSI { 612} ( segid "ATXH" and resid 40 and name HD1%) (( segid "ATXH" and resid 17 and name HN )) 3.900 1.900 1.900 peak 612 spectrum 1 weight 0.10000E+01 volume 0.17935E-03 ppm1 8.524 ppm2 0.850 CV 1 ASSI { 613} (( segid "ATXH" and resid 49 and name HB )) (( segid "ATXH" and resid 54 and name HN )) 4.800 2.900 1.200 peak 613 spectrum 1 weight 0.10000E+01 volume 0.17495E-03 ppm1 8.020 ppm2 1.558 CV 1 ASSI { 615} ( segid "ATXH" and resid 48 and name HG2%) (( segid "ATXH" and resid 7 and name HN )) 4.900 2.900 1.100 peak 615 spectrum 1 weight 0.10000E+01 volume 0.16945E-03 ppm1 9.254 ppm2 1.094 CV 1 ASSI { 616} (( segid "ATXH" and resid 42 and name HA )) (( segid "ATXH" and resid 44 and name HN )) 4.700 2.800 1.300 peak 616 spectrum 1 weight 0.10000E+01 volume 0.15844E-03 ppm1 7.593 ppm2 4.212 CV 1 ASSI { 617} (( segid "ATXH" and resid 65 and name HB2 )) (( segid "ATXH" and resid 62 and name HN )) 4.100 2.100 1.900 peak 617 spectrum 1 weight 0.10000E+01 volume 0.15844E-03 ppm1 7.191 ppm2 2.914 CV 1 ASSI { 618} (( segid "ATXH" and resid 21 and name HA )) (( segid "ATXH" and resid 24 and name HN )) 4.500 2.500 1.500 peak 618 spectrum 1 weight 0.10000E+01 volume 0.15625E-03 ppm1 8.600 ppm2 4.442 CV 1 ASSI { 619} (( segid "ATXH" and resid 23 and name HA )) (( segid "ATXH" and resid 22 and name HN )) 4.800 2.900 1.200 peak 619 spectrum 1 weight 0.10000E+01 volume 0.15515E-03 ppm1 8.522 ppm2 3.346 CV 1 ASSI { 621} (( segid "ATXH" and resid 47 and name HA )) (( segid "ATXH" and resid 35 and name HN )) 4.800 2.900 1.200 peak 621 spectrum 1 weight 0.10000E+01 volume 0.15405E-03 ppm1 7.510 ppm2 5.058 CV 1 ASSI { 622} (( segid "ATXH" and resid 61 and name HA )) (( segid "ATXH" and resid 63 and name HN )) 4.500 2.500 1.500 peak 622 spectrum 1 weight 0.10000E+01 volume 0.15295E-03 ppm1 7.636 ppm2 4.190 CV 1 ASSI { 623} ( segid "ATXH" and resid 70 and name HG1%) (( segid "ATXH" and resid 69 and name HN )) 4.100 2.100 1.900 peak 623 spectrum 1 weight 0.10000E+01 volume 0.15295E-03 ppm1 7.902 ppm2 0.987 CV 1 ASSI { 624} (( segid "ATXH" and resid 58 and name HB3 )) (( segid "ATXH" and resid 61 and name HN )) 4.600 2.600 1.400 peak 624 spectrum 1 weight 0.10000E+01 volume 0.14854E-03 ppm1 7.705 ppm2 2.608 CV 1 ASSI { 625} (( segid "ATXH" and resid 68 and name HB2 )) (( segid "ATXH" and resid 67 and name HN )) 5.000 3.100 1.000 peak 625 spectrum 1 weight 0.10000E+01 volume 0.14854E-03 ppm1 7.882 ppm2 2.946 CV 1 ASSI { 626} (( segid "ATXH" and resid 65 and name HN )) (( segid "ATXH" and resid 67 and name HN )) 4.700 2.800 1.300 peak 626 spectrum 1 weight 0.10000E+01 volume 0.14854E-03 ppm1 7.881 ppm2 8.430 CV 1 ASSI { 627} ( segid "ATXH" and resid 54 and name HG1%) (( segid "ATXH" and resid 53 and name HN )) 5.100 3.200 0.900 peak 627 spectrum 1 weight 0.10000E+01 volume 0.14634E-03 ppm1 7.800 ppm2 1.177 CV 1 ASSI { 628} (( segid "ATXH" and resid 28 and name HA )) (( segid "ATXH" and resid 33 and name HN )) 5.200 3.300 0.800 peak 628 spectrum 1 weight 0.10000E+01 volume 0.14084E-03 ppm1 7.524 ppm2 3.798 CV 1 ASSI { 629} ( segid "ATXH" and resid 9 and name HD2%) (( segid "ATXH" and resid 9 and name HN )) 4.400 2.400 1.600 peak 629 spectrum 1 weight 0.10000E+01 volume 0.13974E-03 ppm1 9.295 ppm2 0.746 CV 1 ASSI { 630} (( segid "ATXH" and resid 50 and name HB3 )) (( segid "ATXH" and resid 52 and name HN )) 4.400 2.400 1.600 peak 630 spectrum 1 weight 0.10000E+01 volume 0.13864E-03 ppm1 8.770 ppm2 2.471 CV 1 ASSI { 631} (( segid "ATXH" and resid 12 and name HN )) (( segid "ATXH" and resid 11 and name HN )) 4.900 3.000 1.100 peak 631 spectrum 1 weight 0.10000E+01 volume 0.13754E-03 ppm1 8.530 ppm2 9.296 CV 1 ASSI { 632} (( segid "ATXH" and resid 8 and name HB )) (( segid "ATXH" and resid 9 and name HN )) 4.900 3.000 1.100 peak 632 spectrum 1 weight 0.10000E+01 volume 0.13644E-03 ppm1 9.295 ppm2 3.882 CV 1 ASSI { 635} (( segid "ATXH" and resid 16 and name HB3 )) (( segid "ATXH" and resid 17 and name HN )) 4.500 2.600 1.500 peak 635 spectrum 1 weight 0.10000E+01 volume 0.13424E-03 ppm1 8.528 ppm2 1.893 CV 1 ASSI { 636} (( segid "ATXH" and resid 10 and name HB2 )) (( segid "ATXH" and resid 11 and name HN )) 4.600 2.600 1.400 peak 636 spectrum 1 weight 0.10000E+01 volume 0.13314E-03 ppm1 8.526 ppm2 2.082 CV 1 ASSI { 637} (( segid "ATXH" and resid 37 and name HN )) (( segid "ATXH" and resid 38 and name HN )) 4.600 2.600 1.400 peak 637 spectrum 1 weight 0.10000E+01 volume 0.13314E-03 ppm1 9.835 ppm2 8.996 CV 1 ASSI { 639} ( segid "ATXH" and resid 48 and name HG2%) (( segid "ATXH" and resid 6 and name HE22)) 4.200 2.200 1.800 peak 639 spectrum 1 weight 0.10000E+01 volume 0.13094E-03 ppm1 6.697 ppm2 1.111 CV 1 ASSI { 640} (( segid "ATXH" and resid 11 and name HN )) (( segid "ATXH" and resid 44 and name HN )) 4.800 2.900 1.200 peak 640 spectrum 1 weight 0.10000E+01 volume 0.12874E-03 ppm1 7.586 ppm2 8.525 CV 1 ASSI { 641} ( segid "ATXH" and resid 8 and name HG2%) (( segid "ATXH" and resid 47 and name HN )) 5.000 3.100 1.000 peak 641 spectrum 1 weight 0.10000E+01 volume 0.12654E-03 ppm1 9.157 ppm2 1.074 CV 1 ASSI { 642} (( segid "ATXH" and resid 66 and name HB2 )) (( segid "ATXH" and resid 67 and name HN )) 4.300 2.400 1.700 peak 642 spectrum 1 weight 0.10000E+01 volume 0.12213E-03 ppm1 7.873 ppm2 2.529 CV 1 ASSI { 643} ( segid "ATXH" and resid 70 and name HG1%) (( segid "ATXH" and resid 12 and name HN )) 4.600 2.700 1.400 peak 643 spectrum 1 weight 0.10000E+01 volume 0.12213E-03 ppm1 9.281 ppm2 0.967 CV 1 ASSI { 644} (( segid "ATXH" and resid 20 and name HB )) (( segid "ATXH" and resid 22 and name HN )) 5.100 3.200 0.900 peak 644 spectrum 1 weight 0.10000E+01 volume 0.11773E-03 ppm1 8.527 ppm2 2.248 CV 1 ASSI { 645} (( segid "ATXH" and resid 56 and name HN )) (( segid "ATXH" and resid 55 and name HN )) 5.000 3.100 1.000 peak 645 spectrum 1 weight 0.10000E+01 volume 0.11663E-03 ppm1 8.077 ppm2 8.795 CV 1 ASSI { 646} (( segid "ATXH" and resid 18 and name HA )) (( segid "ATXH" and resid 20 and name HN )) 4.600 2.700 1.400 peak 646 spectrum 1 weight 0.10000E+01 volume 0.11554E-03 ppm1 7.025 ppm2 4.518 CV 1 ASSI { 648} (( segid "ATXH" and resid 3 and name HA )) (( segid "ATXH" and resid 3 and name HN )) 4.600 2.600 1.400 peak 648 spectrum 1 weight 0.10000E+01 volume 0.11003E-03 ppm1 8.431 ppm2 4.406 CV 1 ASSI { 650} (( segid "ATXH" and resid 39 and name HN )) (( segid "ATXH" and resid 43 and name HN )) 4.900 3.000 1.100 peak 650 spectrum 1 weight 0.10000E+01 volume 0.10871E-03 ppm1 7.938 ppm2 8.899 CV 1 ASSI { 651} (( segid "ATXH" and resid 45 and name HB )) (( segid "ATXH" and resid 9 and name HN )) 4.600 2.600 1.400 peak 651 spectrum 1 weight 0.10000E+01 volume 0.10849E-03 ppm1 9.294 ppm2 1.728 CV 1 ASSI { 653} (( segid "ATXH" and resid 18 and name HA )) (( segid "ATXH" and resid 19 and name HN )) 4.800 2.800 1.200 peak 653 spectrum 1 weight 0.10000E+01 volume 0.10200E-03 ppm1 7.836 ppm2 4.509 CV 1 ASSI { 657} (( segid "ATXH" and resid 44 and name HA )) (( segid "ATXH" and resid 9 and name HN )) 5.200 3.400 0.800 peak 657 spectrum 1 weight 0.10000E+01 volume 0.92315E-04 ppm1 9.303 ppm2 5.481 CV 1 ASSI { 659} (( segid "ATXH" and resid 5 and name HA )) (( segid "ATXH" and resid 49 and name HN )) 5.000 3.100 1.000 peak 659 spectrum 1 weight 0.10000E+01 volume 0.90775E-04 ppm1 9.258 ppm2 4.641 CV 1 ASSI { 661} ( segid "ATXH" and resid 48 and name HG2%) (( segid "ATXH" and resid 4 and name HN )) 5.400 3.700 0.600 peak 661 spectrum 1 weight 0.10000E+01 volume 0.83401E-04 ppm1 8.156 ppm2 1.133 CV 1 ASSI { 662} (( segid "ATXH" and resid 64 and name HN )) (( segid "ATXH" and resid 68 and name HN )) 5.600 3.900 0.400 peak 662 spectrum 1 weight 0.10000E+01 volume 0.81646E-04 ppm1 6.782 ppm2 9.024 CV 1 ASSI { 664} (( segid "ATXH" and resid 29 and name HG3 )) (( segid "ATXH" and resid 26 and name HN )) 4.600 2.700 1.400 peak 664 spectrum 1 weight 0.10000E+01 volume 0.68330E-04 ppm1 7.515 ppm2 2.334 CV 1 ASSI { 665} (( segid "ATXH" and resid 44 and name HA )) (( segid "ATXH" and resid 43 and name HN )) 5.700 4.000 0.300 peak 665 spectrum 1 weight 0.10000E+01 volume 0.60187E-04 ppm1 7.946 ppm2 5.507 CV 1 ASSI { 666} (( segid "ATXH" and resid 12 and name HN )) (( segid "ATXH" and resid 13 and name HN )) 5.600 4.000 0.400 peak 666 spectrum 1 weight 0.10000E+01 volume 0.52045E-04 ppm1 8.565 ppm2 9.242 CV 1 ASSI { 667} (( segid "ATXH" and resid 49 and name HA )) (( segid "ATXH" and resid 35 and name HN )) 5.700 4.000 0.300 peak 667 spectrum 1 weight 0.10000E+01 volume 0.51825E-04 ppm1 7.508 ppm2 5.274 CV 1 ASSI { 668} (( segid "ATXH" and resid 50 and name HB2 )) (( segid "ATXH" and resid 32 and name HN )) 6.000 4.400 0.000 peak 668 spectrum 1 weight 0.10000E+01 volume 0.50945E-04 ppm1 8.556 ppm2 2.947 CV 1 ASSI { 669} (( segid "ATXH" and resid 10 and name HB3 )) (( segid "ATXH" and resid 11 and name HN )) 5.900 4.400 0.100 peak 669 spectrum 1 weight 0.10000E+01 volume 0.50064E-04 ppm1 8.527 ppm2 1.991 CV 1 ASSI { 672} (( segid "ATXH" and resid 64 and name HN )) (( segid "ATXH" and resid 61 and name HN )) 5.500 3.800 0.500 peak 672 spectrum 1 weight 0.10000E+01 volume 0.39171E-04 ppm1 7.711 ppm2 9.020 CV 1 ASSI { 673} (( segid "ATXH" and resid 24 and name HA )) (( segid "ATXH" and resid 24 and name HN )) 5.600 3.900 0.400 peak 673 spectrum 1 weight 0.10000E+01 volume 0.32240E-04 ppm1 8.600 ppm2 3.629 CV 1 ASSI { 674} ( segid "ATXH" and resid 23 and name HG2%) (( segid "ATXH" and resid 26 and name HN )) 6.000 4.500 0.000 peak 674 spectrum 1 weight 0.10000E+01 volume 0.30479E-04 ppm1 7.534 ppm2 0.529 CV 1 ASSI { 675} (( segid "ATXH" and resid 71 and name HN )) (( segid "ATXH" and resid 12 and name HN )) 5.400 3.600 0.600 peak 675 spectrum 1 weight 0.10000E+01 volume 0.28828E-04 ppm1 9.290 ppm2 8.818 CV 1 ASSI { 677} (( segid "ATXH" and resid 60 and name HA )) (( segid "ATXH" and resid 62 and name HN )) 6.000 6.000 0.000 peak 677 spectrum 1 weight 0.10000E+01 volume 0.10123E-04 ppm1 7.191 ppm2 3.259 CV 1 ASSI { 678} (( segid "ATXH" and resid 20 and name HA )) (( segid "ATXH" and resid 24 and name HN )) 6.000 6.000 0.000 peak 678 spectrum 1 weight 0.10000E+01 volume 0.88689E-05 ppm1 8.599 ppm2 3.234 CV 1 ASSI { 679} (( segid "ATXH" and resid 8 and name HN )) (( segid "ATXH" and resid 9 and name HN )) 6.000 6.000 0.000 peak 679 spectrum 1 weight 0.10000E+01 volume 0.11444E-05 ppm1 9.308 ppm2 8.804 CV 1 ASSI { 3} (( segid "ATXH" and resid 10 and name HB2 )) (( segid "ATXH" and resid 10 and name HG3 )) 1.600 0.300 0.600 peak 3 spectrum 1 weight 0.10000E+01 volume 0.72638E-01 ppm1 2.259 ppm2 2.080 CV 1 OR { 3} (( segid "ATXH" and resid 10 and name HB2 )) (( segid "ATXH" and resid 10 and name HG2 )) ASSI { 4} ( segid "ATXH" and resid 11 and name HG2%) (( segid "ATXH" and resid 44 and name HA )) 1.700 0.400 0.500 peak 4 spectrum 1 weight 0.10000E+01 volume 0.72280E-01 ppm1 5.488 ppm2 0.738 CV 1 ASSI { 6} (( segid "ATXH" and resid 57 and name HA )) (( segid "ATXH" and resid 57 and name HG3 )) 1.700 0.400 0.500 peak 6 spectrum 1 weight 0.10000E+01 volume 0.48426E-01 ppm1 1.426 ppm2 3.853 CV 1 OR { 6} (( segid "ATXH" and resid 57 and name HA )) (( segid "ATXH" and resid 57 and name HG2 )) ASSI { 10} (( segid "ATXH" and resid 49 and name HG13)) (( segid "ATXH" and resid 49 and name HG12)) 1.500 0.300 0.700 peak 10 spectrum 1 weight 0.10000E+01 volume 0.33589E-01 ppm1 0.873 ppm2 1.428 CV 1 ASSI { 15} ( segid "ATXH" and resid 49 and name HG2%) (( segid "ATXH" and resid 49 and name HB )) 1.800 0.400 0.400 peak 15 spectrum 1 weight 0.10000E+01 volume 0.25518E-01 ppm1 1.564 ppm2 0.720 CV 1 ASSI { 16} (( segid "ATXH" and resid 29 and name HB3 )) (( segid "ATXH" and resid 29 and name HG2 )) 2.000 0.500 0.500 peak 16 spectrum 1 weight 0.10000E+01 volume 0.24806E-01 ppm1 2.438 ppm2 2.035 CV 1 OR { 16} (( segid "ATXH" and resid 29 and name HB2 )) (( segid "ATXH" and resid 29 and name HG2 )) ASSI { 17} (( segid "ATXH" and resid 31 and name HB2 )) (( segid "ATXH" and resid 31 and name HB3 )) 1.700 0.400 0.500 peak 17 spectrum 1 weight 0.10000E+01 volume 0.23500E-01 ppm1 2.646 ppm2 2.747 CV 1 ASSI { 20} (( segid "ATXH" and resid 43 and name HA1 )) (( segid "ATXH" and resid 43 and name HA2 )) 1.800 0.400 0.400 peak 20 spectrum 1 weight 0.10000E+01 volume 0.21483E-01 ppm1 4.053 ppm2 3.647 CV 1 ASSI { 21} (( segid "ATXH" and resid 29 and name HG2 )) (( segid "ATXH" and resid 29 and name HA )) 2.000 0.500 0.500 peak 21 spectrum 1 weight 0.10000E+01 volume 0.20770E-01 ppm1 4.050 ppm2 2.450 CV 1 ASSI { 23} (( segid "ATXH" and resid 6 and name HG3 )) (( segid "ATXH" and resid 6 and name HG2 )) 1.800 0.400 0.400 peak 23 spectrum 1 weight 0.10000E+01 volume 0.20533E-01 ppm1 2.196 ppm2 1.994 CV 1 ASSI { 24} ( segid "ATXH" and resid 47 and name HG1%) (( segid "ATXH" and resid 47 and name HB )) 2.000 0.500 0.500 peak 24 spectrum 1 weight 0.10000E+01 volume 0.19346E-01 ppm1 1.888 ppm2 0.853 CV 1 OR { 24} ( segid "ATXH" and resid 47 and name HG2%) (( segid "ATXH" and resid 47 and name HB )) ASSI { 25} (( segid "ATXH" and resid 52 and name HB3 )) (( segid "ATXH" and resid 52 and name HB2 )) 1.800 0.400 0.400 peak 25 spectrum 1 weight 0.10000E+01 volume 0.18634E-01 ppm1 3.988 ppm2 3.841 CV 1 ASSI { 26} (( segid "ATXH" and resid 65 and name HB3 )) (( segid "ATXH" and resid 65 and name HB2 )) 1.800 0.400 0.400 peak 26 spectrum 1 weight 0.10000E+01 volume 0.18634E-01 ppm1 2.897 ppm2 2.663 CV 1 ASSI { 27} ( segid "ATXH" and resid 7 and name HD2%) (( segid "ATXH" and resid 7 and name HB3 )) 2.100 0.500 0.500 peak 27 spectrum 1 weight 0.10000E+01 volume 0.18634E-01 ppm1 1.401 ppm2 0.858 CV 1 ASSI { 30} ( segid "ATXH" and resid 33 and name HG1%) (( segid "ATXH" and resid 33 and name HA )) 2.000 0.500 0.500 peak 30 spectrum 1 weight 0.10000E+01 volume 0.18278E-01 ppm1 4.084 ppm2 0.828 CV 1 ASSI { 31} (( segid "ATXH" and resid 37 and name HD3 )) (( segid "ATXH" and resid 37 and name HE3 )) 2.100 0.500 0.500 peak 31 spectrum 1 weight 0.10000E+01 volume 0.17922E-01 ppm1 2.870 ppm2 1.630 CV 1 OR { 31} (( segid "ATXH" and resid 37 and name HD2 )) (( segid "ATXH" and resid 37 and name HE2 )) OR { 31} (( segid "ATXH" and resid 37 and name HD3 )) (( segid "ATXH" and resid 37 and name HE2 )) OR { 31} (( segid "ATXH" and resid 37 and name HD2 )) (( segid "ATXH" and resid 37 and name HE3 )) ASSI { 34} (( segid "ATXH" and resid 6 and name HB3 )) (( segid "ATXH" and resid 6 and name HG2 )) 2.000 0.500 0.500 peak 34 spectrum 1 weight 0.10000E+01 volume 0.17210E-01 ppm1 2.211 ppm2 1.877 CV 1 ASSI { 35} (( segid "ATXH" and resid 67 and name HA2 )) (( segid "ATXH" and resid 67 and name HA1 )) 1.900 0.400 0.400 peak 35 spectrum 1 weight 0.10000E+01 volume 0.16379E-01 ppm1 3.557 ppm2 3.953 CV 1 ASSI { 36} ( segid "ATXH" and resid 47 and name HG2%) (( segid "ATXH" and resid 47 and name HB )) 2.000 0.500 0.500 peak 36 spectrum 1 weight 0.10000E+01 volume 0.15786E-01 ppm1 1.885 ppm2 0.800 CV 1 ASSI { 37} (( segid "ATXH" and resid 69 and name HB3 )) (( segid "ATXH" and resid 69 and name HB2 )) 1.900 0.400 0.400 peak 37 spectrum 1 weight 0.10000E+01 volume 0.15786E-01 ppm1 2.598 ppm2 2.457 CV 1 ASSI { 38} (( segid "ATXH" and resid 51 and name HB3 )) (( segid "ATXH" and resid 51 and name HB2 )) 1.800 0.400 0.400 peak 38 spectrum 1 weight 0.10000E+01 volume 0.15786E-01 ppm1 4.197 ppm2 3.803 CV 1 ASSI { 41} (( segid "ATXH" and resid 5 and name HB2 )) (( segid "ATXH" and resid 5 and name HB3 )) 1.800 0.400 0.400 peak 41 spectrum 1 weight 0.10000E+01 volume 0.15549E-01 ppm1 1.827 ppm2 1.987 CV 1 OR { 41} (( segid "ATXH" and resid 5 and name HG3 )) (( segid "ATXH" and resid 5 and name HB3 )) ASSI { 42} ( segid "ATXH" and resid 27 and name HG2%) (( segid "ATXH" and resid 27 and name HA )) 2.100 0.500 0.500 peak 42 spectrum 1 weight 0.10000E+01 volume 0.15549E-01 ppm1 3.704 ppm2 0.884 CV 1 OR { 42} ( segid "ATXH" and resid 27 and name HG1%) (( segid "ATXH" and resid 27 and name HA )) ASSI { 43} (( segid "ATXH" and resid 50 and name HB2 )) (( segid "ATXH" and resid 50 and name HB3 )) 1.800 0.400 0.400 peak 43 spectrum 1 weight 0.10000E+01 volume 0.15311E-01 ppm1 2.464 ppm2 2.944 CV 1 ASSI { 44} (( segid "ATXH" and resid 58 and name HB2 )) (( segid "ATXH" and resid 58 and name HB3 )) 1.800 0.400 0.400 peak 44 spectrum 1 weight 0.10000E+01 volume 0.14955E-01 ppm1 2.594 ppm2 3.015 CV 1 ASSI { 45} ( segid "ATXH" and resid 33 and name HG1%) (( segid "ATXH" and resid 33 and name HB )) 2.000 0.500 0.500 peak 45 spectrum 1 weight 0.10000E+01 volume 0.14955E-01 ppm1 2.266 ppm2 0.843 CV 1 ASSI { 46} (( segid "ATXH" and resid 5 and name HB3 )) (( segid "ATXH" and resid 5 and name HB2 )) 1.800 0.400 0.400 peak 46 spectrum 1 weight 0.10000E+01 volume 0.14836E-01 ppm1 1.987 ppm2 1.828 CV 1 ASSI { 51} (( segid "ATXH" and resid 42 and name HB2 )) (( segid "ATXH" and resid 42 and name HA )) 2.200 0.600 0.600 peak 51 spectrum 1 weight 0.10000E+01 volume 0.14243E-01 ppm1 4.237 ppm2 2.107 CV 1 OR { 51} (( segid "ATXH" and resid 42 and name HG2 )) (( segid "ATXH" and resid 42 and name HA )) ASSI { 52} (( segid "ATXH" and resid 32 and name HA2 )) (( segid "ATXH" and resid 32 and name HA1 )) 1.800 0.400 0.400 peak 52 spectrum 1 weight 0.10000E+01 volume 0.13887E-01 ppm1 3.672 ppm2 4.224 CV 1 ASSI { 55} (( segid "ATXH" and resid 56 and name HB2 )) (( segid "ATXH" and resid 56 and name HB3 )) 1.800 0.400 0.400 peak 55 spectrum 1 weight 0.10000E+01 volume 0.13531E-01 ppm1 1.606 ppm2 1.752 CV 1 ASSI { 56} (( segid "ATXH" and resid 26 and name HB3 )) (( segid "ATXH" and resid 26 and name HB2 )) 1.800 0.400 0.400 peak 56 spectrum 1 weight 0.10000E+01 volume 0.13531E-01 ppm1 3.900 ppm2 3.694 CV 1 ASSI { 57} ( segid "ATXH" and resid 38 and name HG1%) (( segid "ATXH" and resid 38 and name HB )) 2.100 0.600 0.600 peak 57 spectrum 1 weight 0.10000E+01 volume 0.13412E-01 ppm1 2.059 ppm2 0.931 CV 1 ASSI { 58} ( segid "ATXH" and resid 40 and name HD1%) (( segid "ATXH" and resid 40 and name HG )) 2.100 0.600 0.600 peak 58 spectrum 1 weight 0.10000E+01 volume 0.13174E-01 ppm1 1.564 ppm2 0.863 CV 1 ASSI { 60} (( segid "ATXH" and resid 57 and name HE2 )) (( segid "ATXH" and resid 57 and name HD3 )) 2.200 0.600 0.600 peak 60 spectrum 1 weight 0.10000E+01 volume 0.13056E-01 ppm1 1.635 ppm2 2.927 CV 1 OR { 60} (( segid "ATXH" and resid 57 and name HE2 )) (( segid "ATXH" and resid 57 and name HD2 )) OR { 60} (( segid "ATXH" and resid 57 and name HE3 )) (( segid "ATXH" and resid 57 and name HD3 )) OR { 60} (( segid "ATXH" and resid 57 and name HE3 )) (( segid "ATXH" and resid 57 and name HD2 )) ASSI { 61} (( segid "ATXH" and resid 64 and name HG2 )) (( segid "ATXH" and resid 64 and name HG3 )) 1.900 0.400 0.400 peak 61 spectrum 1 weight 0.10000E+01 volume 0.13056E-01 ppm1 2.454 ppm2 2.675 CV 1 ASSI { 62} ( segid "ATXH" and resid 41 and name HB% ) (( segid "ATXH" and resid 41 and name HA )) 2.200 0.600 0.600 peak 62 spectrum 1 weight 0.10000E+01 volume 0.12937E-01 ppm1 4.044 ppm2 1.385 CV 1 ASSI { 63} (( segid "ATXH" and resid 63 and name HB )) ( segid "ATXH" and resid 63 and name HD1%) 2.100 0.500 0.500 peak 63 spectrum 1 weight 0.10000E+01 volume 0.12937E-01 ppm1 0.562 ppm2 1.817 CV 1 ASSI { 65} (( segid "ATXH" and resid 5 and name HG2 )) (( segid "ATXH" and resid 5 and name HB2 )) 2.200 0.600 0.600 peak 65 spectrum 1 weight 0.10000E+01 volume 0.12700E-01 ppm1 1.987 ppm2 2.189 CV 1 ASSI { 66} ( segid "ATXH" and resid 62 and name HG1%) ( segid "ATXH" and resid 62 and name HG2%) 2.200 0.600 0.600 peak 66 spectrum 1 weight 0.10000E+01 volume 0.12700E-01 ppm1 0.894 ppm2 1.151 CV 1 ASSI { 67} ( segid "ATXH" and resid 55 and name HG2%) (( segid "ATXH" and resid 55 and name HB )) 2.100 0.600 0.600 peak 67 spectrum 1 weight 0.10000E+01 volume 0.12463E-01 ppm1 4.426 ppm2 1.182 CV 1 ASSI { 69} (( segid "ATXH" and resid 7 and name HB2 )) (( segid "ATXH" and resid 7 and name HB3 )) 1.900 0.400 0.400 peak 69 spectrum 1 weight 0.10000E+01 volume 0.12344E-01 ppm1 1.401 ppm2 1.580 CV 1 ASSI { 71} (( segid "ATXH" and resid 56 and name HB3 )) (( segid "ATXH" and resid 56 and name HA )) 2.200 0.600 0.600 peak 71 spectrum 1 weight 0.10000E+01 volume 0.12225E-01 ppm1 3.864 ppm2 1.597 CV 1 ASSI { 72} ( segid "ATXH" and resid 53 and name HG1%) (( segid "ATXH" and resid 53 and name HB )) 2.100 0.500 0.500 peak 72 spectrum 1 weight 0.10000E+01 volume 0.12225E-01 ppm1 1.995 ppm2 0.811 CV 1 OR { 72} ( segid "ATXH" and resid 53 and name HG2%) (( segid "ATXH" and resid 53 and name HB )) ASSI { 73} ( segid "ATXH" and resid 61 and name HB% ) (( segid "ATXH" and resid 61 and name HA )) 2.200 0.600 0.600 peak 73 spectrum 1 weight 0.10000E+01 volume 0.12225E-01 ppm1 4.195 ppm2 1.489 CV 1 ASSI { 74} (( segid "ATXH" and resid 4 and name HG2 )) (( segid "ATXH" and resid 4 and name HG3 )) 1.900 0.400 0.400 peak 74 spectrum 1 weight 0.10000E+01 volume 0.12106E-01 ppm1 2.451 ppm2 2.638 CV 1 ASSI { 76} (( segid "ATXH" and resid 49 and name HG13)) ( segid "ATXH" and resid 49 and name HD1%) 2.100 0.600 0.600 peak 76 spectrum 1 weight 0.10000E+01 volume 0.11988E-01 ppm1 0.643 ppm2 1.438 CV 1 ASSI { 80} (( segid "ATXH" and resid 9 and name HB2 )) (( segid "ATXH" and resid 9 and name HB3 )) 1.900 0.400 0.400 peak 80 spectrum 1 weight 0.10000E+01 volume 0.11869E-01 ppm1 1.271 ppm2 1.565 CV 1 ASSI { 82} ( segid "ATXH" and resid 49 and name HG2%) (( segid "ATXH" and resid 33 and name HA )) 2.200 0.600 0.600 peak 82 spectrum 1 weight 0.10000E+01 volume 0.11465E-01 ppm1 4.075 ppm2 0.714 CV 1 ASSI { 83} ( segid "ATXH" and resid 30 and name HD1%) (( segid "ATXH" and resid 30 and name HG )) 2.100 0.600 0.600 peak 83 spectrum 1 weight 0.10000E+01 volume 0.11311E-01 ppm1 1.862 ppm2 0.853 CV 1 OR { 83} ( segid "ATXH" and resid 30 and name HD2%) (( segid "ATXH" and resid 30 and name HG )) ASSI { 84} ( segid "ATXH" and resid 30 and name HD2%) (( segid "ATXH" and resid 30 and name HA )) 2.100 0.600 0.600 peak 84 spectrum 1 weight 0.10000E+01 volume 0.11216E-01 ppm1 4.180 ppm2 0.839 CV 1 OR { 84} ( segid "ATXH" and resid 30 and name HD1%) (( segid "ATXH" and resid 30 and name HA )) ASSI { 85} (( segid "ATXH" and resid 40 and name HB3 )) (( segid "ATXH" and resid 40 and name HB2 )) 1.900 0.400 0.400 peak 85 spectrum 1 weight 0.10000E+01 volume 0.11192E-01 ppm1 1.578 ppm2 1.415 CV 1 ASSI { 87} (( segid "ATXH" and resid 57 and name HB3 )) (( segid "ATXH" and resid 57 and name HG2 )) 2.200 0.600 0.600 peak 87 spectrum 1 weight 0.10000E+01 volume 0.10920E-01 ppm1 1.386 ppm2 1.727 CV 1 OR { 87} (( segid "ATXH" and resid 57 and name HB3 )) (( segid "ATXH" and resid 57 and name HG3 )) ASSI { 89} (( segid "ATXH" and resid 39 and name HB2 )) (( segid "ATXH" and resid 39 and name HB3 )) 1.800 0.400 0.400 peak 89 spectrum 1 weight 0.10000E+01 volume 0.10754E-01 ppm1 2.027 ppm2 2.330 CV 1 ASSI { 91} (( segid "ATXH" and resid 39 and name HG2 )) (( segid "ATXH" and resid 39 and name HB2 )) 2.300 0.600 0.600 peak 91 spectrum 1 weight 0.10000E+01 volume 0.10729E-01 ppm1 2.331 ppm2 2.175 CV 1 ASSI { 94} (( segid "ATXH" and resid 53 and name HA )) ( segid "ATXH" and resid 53 and name HG1%) 2.300 0.700 0.700 peak 94 spectrum 1 weight 0.10000E+01 volume 0.10623E-01 ppm1 0.815 ppm2 4.153 CV 1 OR { 94} (( segid "ATXH" and resid 53 and name HA )) ( segid "ATXH" and resid 53 and name HG2%) ASSI { 95} ( segid "ATXH" and resid 30 and name HD2%) (( segid "ATXH" and resid 30 and name HB2 )) 2.400 0.700 0.700 peak 95 spectrum 1 weight 0.10000E+01 volume 0.10504E-01 ppm1 1.992 ppm2 0.851 CV 1 OR { 95} ( segid "ATXH" and resid 30 and name HD1%) (( segid "ATXH" and resid 30 and name HB2 )) ASSI { 96} (( segid "ATXH" and resid 34 and name HB2 )) (( segid "ATXH" and resid 34 and name HB3 )) 1.900 0.400 0.400 peak 96 spectrum 1 weight 0.10000E+01 volume 0.10480E-01 ppm1 1.646 ppm2 1.893 CV 1 ASSI { 98} (( segid "ATXH" and resid 39 and name HB3 )) (( segid "ATXH" and resid 39 and name HB2 )) 1.900 0.500 0.500 peak 98 spectrum 1 weight 0.10000E+01 volume 0.10409E-01 ppm1 2.331 ppm2 2.044 CV 1 OR { 98} (( segid "ATXH" and resid 39 and name HG3 )) (( segid "ATXH" and resid 39 and name HB2 )) ASSI { 99} (( segid "ATXH" and resid 37 and name HG2 )) (( segid "ATXH" and resid 37 and name HD2 )) 2.200 0.600 0.600 peak 99 spectrum 1 weight 0.10000E+01 volume 0.10386E-01 ppm1 1.635 ppm2 1.229 CV 1 OR { 99} (( segid "ATXH" and resid 37 and name HG3 )) (( segid "ATXH" and resid 37 and name HD3 )) OR { 99} (( segid "ATXH" and resid 37 and name HG2 )) (( segid "ATXH" and resid 37 and name HD3 )) OR { 99} (( segid "ATXH" and resid 37 and name HG3 )) (( segid "ATXH" and resid 37 and name HD2 )) ASSI { 104} ( segid "ATXH" and resid 62 and name HG1%) ( segid "ATXH" and resid 30 and name HD2%) 2.300 0.600 0.600 peak 104 spectrum 1 weight 0.10000E+01 volume 0.10290E-01 ppm1 0.833 ppm2 1.153 CV 1 ASSI { 105} (( segid "ATXH" and resid 29 and name HB2 )) (( segid "ATXH" and resid 29 and name HA )) 2.500 0.800 0.800 peak 105 spectrum 1 weight 0.10000E+01 volume 0.10231E-01 ppm1 4.051 ppm2 2.042 CV 1 ASSI { 106} ( segid "ATXH" and resid 30 and name HD1%) (( segid "ATXH" and resid 30 and name HB3 )) 2.200 0.600 0.600 peak 106 spectrum 1 weight 0.10000E+01 volume 0.10077E-01 ppm1 1.316 ppm2 0.847 CV 1 OR { 106} ( segid "ATXH" and resid 30 and name HD2%) (( segid "ATXH" and resid 30 and name HB3 )) ASSI { 107} ( segid "ATXH" and resid 40 and name HD1%) ( segid "ATXH" and resid 14 and name HE% ) 2.400 0.700 0.700 peak 107 spectrum 1 weight 0.10000E+01 volume 0.10017E-01 ppm1 1.764 ppm2 0.781 CV 1 OR { 107} ( segid "ATXH" and resid 40 and name HD2%) ( segid "ATXH" and resid 14 and name HE% ) ASSI { 108} (( segid "ATXH" and resid 30 and name HB3 )) (( segid "ATXH" and resid 30 and name HB2 )) 1.900 0.400 0.400 peak 108 spectrum 1 weight 0.10000E+01 volume 0.98872E-02 ppm1 1.990 ppm2 1.321 CV 1 ASSI { 110} (( segid "ATXH" and resid 33 and name HB )) ( segid "ATXH" and resid 33 and name HG2%) 2.200 0.600 0.600 peak 110 spectrum 1 weight 0.10000E+01 volume 0.98628E-02 ppm1 0.646 ppm2 2.267 CV 1 ASSI { 115} (( segid "ATXH" and resid 44 and name HB )) ( segid "ATXH" and resid 44 and name HG2%) 2.200 0.600 0.600 peak 115 spectrum 1 weight 0.10000E+01 volume 0.94476E-02 ppm1 0.930 ppm2 3.965 CV 1 ASSI { 116} ( segid "ATXH" and resid 3 and name HB% ) (( segid "ATXH" and resid 3 and name HA )) 2.300 0.700 0.700 peak 116 spectrum 1 weight 0.10000E+01 volume 0.93767E-02 ppm1 4.405 ppm2 1.360 CV 1 ASSI { 117} ( segid "ATXH" and resid 59 and name HG2%) (( segid "ATXH" and resid 59 and name HB )) 2.200 0.600 0.600 peak 117 spectrum 1 weight 0.10000E+01 volume 0.92342E-02 ppm1 2.010 ppm2 0.742 CV 1 OR { 117} ( segid "ATXH" and resid 59 and name HD1%) (( segid "ATXH" and resid 59 and name HB )) ASSI { 118} ( segid "ATXH" and resid 53 and name HG1%) (( segid "ATXH" and resid 54 and name HB )) 2.400 0.700 0.700 peak 118 spectrum 1 weight 0.10000E+01 volume 0.91275E-02 ppm1 2.372 ppm2 0.799 CV 1 OR { 118} ( segid "ATXH" and resid 53 and name HG2%) (( segid "ATXH" and resid 54 and name HB )) ASSI { 119} ( segid "ATXH" and resid 62 and name HG2%) (( segid "ATXH" and resid 62 and name HB )) 2.300 0.600 0.600 peak 119 spectrum 1 weight 0.10000E+01 volume 0.89850E-02 ppm1 2.199 ppm2 0.893 CV 1 ASSI { 121} (( segid "ATXH" and resid 21 and name HA )) (( segid "ATXH" and resid 21 and name HB2 )) 2.300 0.700 0.700 peak 121 spectrum 1 weight 0.10000E+01 volume 0.89729E-02 ppm1 2.795 ppm2 4.480 CV 1 OR { 121} (( segid "ATXH" and resid 21 and name HA )) (( segid "ATXH" and resid 21 and name HB3 )) ASSI { 122} (( segid "ATXH" and resid 9 and name HB2 )) ( segid "ATXH" and resid 9 and name HD1%) 2.200 0.600 0.600 peak 122 spectrum 1 weight 0.10000E+01 volume 0.89614E-02 ppm1 0.636 ppm2 1.567 CV 1 ASSI { 123} (( segid "ATXH" and resid 64 and name HB3 )) (( segid "ATXH" and resid 64 and name HG3 )) 2.600 0.900 0.900 peak 123 spectrum 1 weight 0.10000E+01 volume 0.89371E-02 ppm1 2.406 ppm2 1.966 CV 1 ASSI { 124} ( segid "ATXH" and resid 60 and name HG1%) (( segid "ATXH" and resid 60 and name HA )) 2.300 0.700 0.700 peak 124 spectrum 1 weight 0.10000E+01 volume 0.89134E-02 ppm1 3.252 ppm2 0.968 CV 1 ASSI { 125} (( segid "ATXH" and resid 17 and name HA1 )) (( segid "ATXH" and resid 17 and name HA2 )) 2.100 0.500 0.500 peak 125 spectrum 1 weight 0.10000E+01 volume 0.88776E-02 ppm1 4.343 ppm2 3.864 CV 1 ASSI { 127} ( segid "ATXH" and resid 11 and name HG2%) (( segid "ATXH" and resid 11 and name HA )) 2.300 0.700 0.700 peak 127 spectrum 1 weight 0.10000E+01 volume 0.88540E-02 ppm1 4.764 ppm2 0.672 CV 1 OR { 127} ( segid "ATXH" and resid 11 and name HG1%) (( segid "ATXH" and resid 11 and name HA )) ASSI { 129} (( segid "ATXH" and resid 4 and name HG3 )) (( segid "ATXH" and resid 4 and name HB2 )) 2.200 0.600 0.600 peak 129 spectrum 1 weight 0.10000E+01 volume 0.86764E-02 ppm1 1.967 ppm2 2.448 CV 1 ASSI { 130} (( segid "ATXH" and resid 5 and name HG2 )) (( segid "ATXH" and resid 5 and name HB3 )) 2.500 0.800 0.800 peak 130 spectrum 1 weight 0.10000E+01 volume 0.85691E-02 ppm1 1.827 ppm2 2.190 CV 1 ASSI { 131} (( segid "ATXH" and resid 56 and name HB3 )) ( segid "ATXH" and resid 56 and name HD2%) 2.300 0.700 0.700 peak 131 spectrum 1 weight 0.10000E+01 volume 0.84860E-02 ppm1 0.870 ppm2 1.574 CV 1 ASSI { 133} (( segid "ATXH" and resid 26 and name HA )) (( segid "ATXH" and resid 26 and name HB2 )) 2.300 0.600 0.600 peak 133 spectrum 1 weight 0.10000E+01 volume 0.84272E-02 ppm1 3.902 ppm2 4.151 CV 1 ASSI { 135} (( segid "ATXH" and resid 55 and name HA )) (( segid "ATXH" and resid 55 and name HB )) 2.300 0.700 0.700 peak 135 spectrum 1 weight 0.10000E+01 volume 0.82132E-02 ppm1 4.427 ppm2 4.814 CV 1 ASSI { 136} ( segid "ATXH" and resid 62 and name HG1%) (( segid "ATXH" and resid 62 and name HB )) 2.300 0.600 0.600 peak 136 spectrum 1 weight 0.10000E+01 volume 0.81538E-02 ppm1 2.197 ppm2 1.151 CV 1 ASSI { 137} ( segid "ATXH" and resid 55 and name HG2%) (( segid "ATXH" and resid 55 and name HA )) 2.400 0.700 0.700 peak 137 spectrum 1 weight 0.10000E+01 volume 0.81423E-02 ppm1 4.818 ppm2 1.182 CV 1 ASSI { 139} ( segid "ATXH" and resid 56 and name HD1%) (( segid "ATXH" and resid 56 and name HB3 )) 2.400 0.700 0.700 peak 139 spectrum 1 weight 0.10000E+01 volume 0.80113E-02 ppm1 1.604 ppm2 0.869 CV 1 OR { 139} (( segid "ATXH" and resid 56 and name HG )) (( segid "ATXH" and resid 56 and name HB3 )) OR { 139} ( segid "ATXH" and resid 56 and name HD2%) (( segid "ATXH" and resid 56 and name HB3 )) ASSI { 140} ( segid "ATXH" and resid 47 and name HG1%) (( segid "ATXH" and resid 47 and name HA )) 2.400 0.700 0.700 peak 140 spectrum 1 weight 0.10000E+01 volume 0.79877E-02 ppm1 5.067 ppm2 0.872 CV 1 ASSI { 142} (( segid "ATXH" and resid 57 and name HD2 )) (( segid "ATXH" and resid 57 and name HG2 )) 2.300 0.700 0.700 peak 142 spectrum 1 weight 0.10000E+01 volume 0.79167E-02 ppm1 1.437 ppm2 1.623 CV 1 OR { 142} (( segid "ATXH" and resid 57 and name HD3 )) (( segid "ATXH" and resid 57 and name HG2 )) ASSI { 145} (( segid "ATXH" and resid 46 and name HA )) (( segid "ATXH" and resid 8 and name HA )) 2.300 0.600 0.600 peak 145 spectrum 1 weight 0.10000E+01 volume 0.76912E-02 ppm1 4.862 ppm2 5.252 CV 1 ASSI { 147} (( segid "ATXH" and resid 68 and name HB3 )) (( segid "ATXH" and resid 68 and name HB2 )) 2.000 0.500 0.500 peak 147 spectrum 1 weight 0.10000E+01 volume 0.75960E-02 ppm1 2.990 ppm2 2.300 CV 1 ASSI { 148} ( segid "ATXH" and resid 53 and name HG1%) (( segid "ATXH" and resid 32 and name HA2 )) 2.500 0.800 0.800 peak 148 spectrum 1 weight 0.10000E+01 volume 0.75602E-02 ppm1 4.225 ppm2 0.805 CV 1 OR { 148} ( segid "ATXH" and resid 53 and name HG2%) (( segid "ATXH" and resid 32 and name HA2 )) ASSI { 149} (( segid "ATXH" and resid 59 and name HG12)) ( segid "ATXH" and resid 59 and name HD1%) 2.300 0.600 0.600 peak 149 spectrum 1 weight 0.10000E+01 volume 0.75487E-02 ppm1 0.692 ppm2 1.562 CV 1 ASSI { 151} ( segid "ATXH" and resid 8 and name HG2%) (( segid "ATXH" and resid 8 and name HA )) 2.400 0.700 0.700 peak 151 spectrum 1 weight 0.10000E+01 volume 0.74657E-02 ppm1 4.862 ppm2 1.076 CV 1 ASSI { 152} (( segid "ATXH" and resid 4 and name HG2 )) (( segid "ATXH" and resid 4 and name HB2 )) 2.400 0.700 0.700 peak 152 spectrum 1 weight 0.10000E+01 volume 0.74420E-02 ppm1 1.966 ppm2 2.634 CV 1 ASSI { 155} ( segid "ATXH" and resid 54 and name HG1%) (( segid "ATXH" and resid 54 and name HB )) 2.300 0.600 0.600 peak 155 spectrum 1 weight 0.10000E+01 volume 0.73705E-02 ppm1 2.373 ppm2 1.162 CV 1 ASSI { 156} (( segid "ATXH" and resid 60 and name HB )) ( segid "ATXH" and resid 60 and name HG1%) 2.300 0.700 0.700 peak 156 spectrum 1 weight 0.10000E+01 volume 0.73468E-02 ppm1 0.972 ppm2 2.011 CV 1 ASSI { 157} ( segid "ATXH" and resid 30 and name HD2%) (( segid "ATXH" and resid 29 and name HB3 )) 2.500 0.800 0.800 peak 157 spectrum 1 weight 0.10000E+01 volume 0.73347E-02 ppm1 1.971 ppm2 0.829 CV 1 ASSI { 159} (( segid "ATXH" and resid 37 and name HB3 )) (( segid "ATXH" and resid 37 and name HB2 )) 2.100 0.500 0.500 peak 159 spectrum 1 weight 0.10000E+01 volume 0.71449E-02 ppm1 1.743 ppm2 1.607 CV 1 ASSI { 161} (( segid "ATXH" and resid 39 and name HB3 )) (( segid "ATXH" and resid 39 and name HA )) 2.300 0.700 0.700 peak 161 spectrum 1 weight 0.10000E+01 volume 0.70977E-02 ppm1 4.760 ppm2 2.045 CV 1 OR { 161} (( segid "ATXH" and resid 39 and name HG3 )) (( segid "ATXH" and resid 39 and name HA )) ASSI { 166} ( segid "ATXH" and resid 7 and name HD2%) (( segid "ATXH" and resid 7 and name HA )) 2.400 0.700 0.700 peak 166 spectrum 1 weight 0.10000E+01 volume 0.69673E-02 ppm1 4.846 ppm2 0.859 CV 1 ASSI { 168} (( segid "ATXH" and resid 32 and name HA2 )) (( segid "ATXH" and resid 53 and name HB )) 2.300 0.600 0.600 peak 168 spectrum 1 weight 0.10000E+01 volume 0.69079E-02 ppm1 1.995 ppm2 4.205 CV 1 ASSI { 169} (( segid "ATXH" and resid 30 and name HA )) ( segid "ATXH" and resid 30 and name HD2%) 2.300 0.700 0.700 peak 169 spectrum 1 weight 0.10000E+01 volume 0.68843E-02 ppm1 0.833 ppm2 4.175 CV 1 ASSI { 170} (( segid "ATXH" and resid 37 and name HB3 )) (( segid "ATXH" and resid 37 and name HG2 )) 2.400 0.700 0.700 peak 170 spectrum 1 weight 0.10000E+01 volume 0.68721E-02 ppm1 1.225 ppm2 1.620 CV 1 OR { 170} (( segid "ATXH" and resid 37 and name HD2 )) (( segid "ATXH" and resid 37 and name HG2 )) OR { 170} (( segid "ATXH" and resid 37 and name HD3 )) (( segid "ATXH" and resid 37 and name HG2 )) OR { 170} (( segid "ATXH" and resid 37 and name HD2 )) (( segid "ATXH" and resid 37 and name HG3 )) OR { 170} (( segid "ATXH" and resid 37 and name HB3 )) (( segid "ATXH" and resid 37 and name HG3 )) ASSI { 172} (( segid "ATXH" and resid 58 and name HB3 )) (( segid "ATXH" and resid 58 and name HA )) 2.400 0.700 0.700 peak 172 spectrum 1 weight 0.10000E+01 volume 0.68012E-02 ppm1 4.361 ppm2 2.594 CV 1 ASSI { 174} (( segid "ATXH" and resid 34 and name HG3 )) (( segid "ATXH" and resid 34 and name HB3 )) 2.300 0.700 0.700 peak 174 spectrum 1 weight 0.10000E+01 volume 0.67769E-02 ppm1 1.645 ppm2 2.084 CV 1 ASSI { 175} (( segid "ATXH" and resid 62 and name HA )) ( segid "ATXH" and resid 62 and name HG2%) 2.400 0.700 0.700 peak 175 spectrum 1 weight 0.10000E+01 volume 0.67769E-02 ppm1 0.894 ppm2 3.874 CV 1 ASSI { 176} (( segid "ATXH" and resid 57 and name HD3 )) (( segid "ATXH" and resid 57 and name HG3 )) 2.400 0.700 0.700 peak 176 spectrum 1 weight 0.10000E+01 volume 0.67297E-02 ppm1 1.387 ppm2 1.623 CV 1 OR { 176} (( segid "ATXH" and resid 57 and name HD2 )) (( segid "ATXH" and resid 57 and name HG2 )) OR { 176} (( segid "ATXH" and resid 57 and name HD2 )) (( segid "ATXH" and resid 57 and name HG3 )) OR { 176} (( segid "ATXH" and resid 57 and name HD3 )) (( segid "ATXH" and resid 57 and name HG2 )) ASSI { 177} (( segid "ATXH" and resid 56 and name HB2 )) ( segid "ATXH" and resid 56 and name HD1%) 2.400 0.700 0.700 peak 177 spectrum 1 weight 0.10000E+01 volume 0.67178E-02 ppm1 0.876 ppm2 1.758 CV 1 ASSI { 178} (( segid "ATXH" and resid 42 and name HB3 )) (( segid "ATXH" and resid 42 and name HA )) 2.400 0.700 0.700 peak 178 spectrum 1 weight 0.10000E+01 volume 0.67059E-02 ppm1 4.236 ppm2 1.904 CV 1 ASSI { 179} (( segid "ATXH" and resid 49 and name HB )) ( segid "ATXH" and resid 49 and name HD1%) 2.300 0.700 0.700 peak 179 spectrum 1 weight 0.10000E+01 volume 0.66585E-02 ppm1 0.655 ppm2 1.558 CV 1 ASSI { 181} (( segid "ATXH" and resid 63 and name HB )) ( segid "ATXH" and resid 63 and name HG2%) 2.300 0.600 0.600 peak 181 spectrum 1 weight 0.10000E+01 volume 0.66466E-02 ppm1 0.774 ppm2 1.800 CV 1 ASSI { 183} (( segid "ATXH" and resid 10 and name HA )) (( segid "ATXH" and resid 44 and name HA )) 2.200 0.600 0.600 peak 183 spectrum 1 weight 0.10000E+01 volume 0.65398E-02 ppm1 5.493 ppm2 4.680 CV 1 ASSI { 185} (( segid "ATXH" and resid 65 and name HB3 )) (( segid "ATXH" and resid 65 and name HA )) 2.700 0.900 0.900 peak 185 spectrum 1 weight 0.10000E+01 volume 0.65161E-02 ppm1 4.493 ppm2 2.661 CV 1 ASSI { 187} (( segid "ATXH" and resid 63 and name HB )) (( segid "ATXH" and resid 63 and name HG13)) 2.200 0.600 0.600 peak 187 spectrum 1 weight 0.10000E+01 volume 0.64686E-02 ppm1 0.578 ppm2 1.829 CV 1 ASSI { 188} (( segid "ATXH" and resid 57 and name HB2 )) (( segid "ATXH" and resid 57 and name HA )) 2.400 0.700 0.700 peak 188 spectrum 1 weight 0.10000E+01 volume 0.64567E-02 ppm1 3.849 ppm2 1.770 CV 1 OR { 188} (( segid "ATXH" and resid 57 and name HB3 )) (( segid "ATXH" and resid 57 and name HA )) ASSI { 189} (( segid "ATXH" and resid 54 and name HB )) (( segid "ATXH" and resid 54 and name HA )) 2.300 0.700 0.700 peak 189 spectrum 1 weight 0.10000E+01 volume 0.64448E-02 ppm1 4.643 ppm2 2.374 CV 1 ASSI { 190} ( segid "ATXH" and resid 33 and name HG2%) (( segid "ATXH" and resid 28 and name HA )) 2.700 0.900 0.900 peak 190 spectrum 1 weight 0.10000E+01 volume 0.64448E-02 ppm1 3.767 ppm2 0.643 CV 1 ASSI { 191} (( segid "ATXH" and resid 4 and name HA )) (( segid "ATXH" and resid 50 and name HA )) 2.300 0.700 0.700 peak 191 spectrum 1 weight 0.10000E+01 volume 0.64330E-02 ppm1 5.024 ppm2 5.175 CV 1 ASSI { 192} (( segid "ATXH" and resid 30 and name HB3 )) (( segid "ATXH" and resid 30 and name HA )) 2.300 0.700 0.700 peak 192 spectrum 1 weight 0.10000E+01 volume 0.64330E-02 ppm1 4.177 ppm2 1.320 CV 1 ASSI { 193} ( segid "ATXH" and resid 45 and name HG1%) (( segid "ATXH" and resid 45 and name HA )) 2.400 0.700 0.700 peak 193 spectrum 1 weight 0.10000E+01 volume 0.63973E-02 ppm1 4.463 ppm2 0.770 CV 1 ASSI { 194} ( segid "ATXH" and resid 62 and name HG1%) (( segid "ATXH" and resid 62 and name HA )) 2.500 0.800 0.800 peak 194 spectrum 1 weight 0.10000E+01 volume 0.63143E-02 ppm1 3.868 ppm2 1.151 CV 1 ASSI { 197} ( segid "ATXH" and resid 48 and name HG2%) (( segid "ATXH" and resid 48 and name HA )) 2.400 0.700 0.700 peak 197 spectrum 1 weight 0.10000E+01 volume 0.61837E-02 ppm1 5.232 ppm2 1.104 CV 1 ASSI { 199} (( segid "ATXH" and resid 6 and name HA )) (( segid "ATXH" and resid 6 and name HG2 )) 2.500 0.800 0.800 peak 199 spectrum 1 weight 0.10000E+01 volume 0.61719E-02 ppm1 2.196 ppm2 5.201 CV 1 ASSI { 200} (( segid "ATXH" and resid 7 and name HB3 )) ( segid "ATXH" and resid 7 and name HD1%) 2.500 0.800 0.800 peak 200 spectrum 1 weight 0.10000E+01 volume 0.61125E-02 ppm1 0.786 ppm2 1.405 CV 1 ASSI { 201} (( segid "ATXH" and resid 28 and name HB2 )) (( segid "ATXH" and resid 28 and name HA )) 2.400 0.700 0.700 peak 201 spectrum 1 weight 0.10000E+01 volume 0.60888E-02 ppm1 3.781 ppm2 1.845 CV 1 OR { 201} (( segid "ATXH" and resid 28 and name HB3 )) (( segid "ATXH" and resid 28 and name HA )) ASSI { 202} (( segid "ATXH" and resid 7 and name HB2 )) ( segid "ATXH" and resid 7 and name HD1%) 2.500 0.800 0.800 peak 202 spectrum 1 weight 0.10000E+01 volume 0.60888E-02 ppm1 0.786 ppm2 1.577 CV 1 ASSI { 203} (( segid "ATXH" and resid 65 and name HB2 )) (( segid "ATXH" and resid 65 and name HA )) 2.400 0.700 0.700 peak 203 spectrum 1 weight 0.10000E+01 volume 0.60294E-02 ppm1 4.493 ppm2 2.896 CV 1 ASSI { 204} ( segid "ATXH" and resid 53 and name HG1%) (( segid "ATXH" and resid 54 and name HA )) 2.600 0.800 0.800 peak 204 spectrum 1 weight 0.10000E+01 volume 0.59819E-02 ppm1 4.647 ppm2 0.804 CV 1 OR { 204} ( segid "ATXH" and resid 53 and name HG2%) (( segid "ATXH" and resid 54 and name HA )) ASSI { 205} (( segid "ATXH" and resid 52 and name HA )) (( segid "ATXH" and resid 52 and name HB2 )) 2.500 0.800 0.800 peak 205 spectrum 1 weight 0.10000E+01 volume 0.59226E-02 ppm1 3.988 ppm2 4.468 CV 1 ASSI { 215} (( segid "ATXH" and resid 44 and name HA )) ( segid "ATXH" and resid 44 and name HG2%) 2.500 0.800 0.800 peak 215 spectrum 1 weight 0.10000E+01 volume 0.56615E-02 ppm1 0.932 ppm2 5.492 CV 1 ASSI { 216} (( segid "ATXH" and resid 31 and name HA )) (( segid "ATXH" and resid 31 and name HB2 )) 2.400 0.700 0.700 peak 216 spectrum 1 weight 0.10000E+01 volume 0.56615E-02 ppm1 2.747 ppm2 4.440 CV 1 ASSI { 217} (( segid "ATXH" and resid 51 and name HA )) (( segid "ATXH" and resid 51 and name HB2 )) 2.400 0.700 0.700 peak 217 spectrum 1 weight 0.10000E+01 volume 0.56615E-02 ppm1 4.198 ppm2 4.911 CV 1 ASSI { 218} ( segid "ATXH" and resid 59 and name HD1%) (( segid "ATXH" and resid 59 and name HG12)) 2.400 0.700 0.700 peak 218 spectrum 1 weight 0.10000E+01 volume 0.56377E-02 ppm1 1.513 ppm2 0.702 CV 1 OR { 218} ( segid "ATXH" and resid 59 and name HG2%) (( segid "ATXH" and resid 59 and name HG12)) ASSI { 219} (( segid "ATXH" and resid 4 and name HB2 )) (( segid "ATXH" and resid 4 and name HG3 )) 2.400 0.700 0.700 peak 219 spectrum 1 weight 0.10000E+01 volume 0.56259E-02 ppm1 2.451 ppm2 1.961 CV 1 OR { 219} ( segid "ATXH" and resid 4 and name HE% ) (( segid "ATXH" and resid 4 and name HG3 )) ASSI { 220} (( segid "ATXH" and resid 4 and name HB2 )) (( segid "ATXH" and resid 4 and name HG2 )) 2.500 0.800 0.800 peak 220 spectrum 1 weight 0.10000E+01 volume 0.56022E-02 ppm1 2.639 ppm2 1.961 CV 1 OR { 220} ( segid "ATXH" and resid 4 and name HE% ) (( segid "ATXH" and resid 4 and name HG2 )) ASSI { 223} (( segid "ATXH" and resid 59 and name HB )) ( segid "ATXH" and resid 59 and name HG2%) 2.400 0.700 0.700 peak 223 spectrum 1 weight 0.10000E+01 volume 0.55072E-02 ppm1 0.754 ppm2 2.012 CV 1 ASSI { 224} (( segid "ATXH" and resid 34 and name HB3 )) (( segid "ATXH" and resid 34 and name HG2 )) 2.500 0.800 0.800 peak 224 spectrum 1 weight 0.10000E+01 volume 0.54953E-02 ppm1 2.194 ppm2 1.647 CV 1 ASSI { 225} (( segid "ATXH" and resid 27 and name HB )) ( segid "ATXH" and resid 27 and name HG2%) 2.400 0.700 0.700 peak 225 spectrum 1 weight 0.10000E+01 volume 0.54834E-02 ppm1 0.863 ppm2 2.032 CV 1 ASSI { 226} (( segid "ATXH" and resid 44 and name HA )) (( segid "ATXH" and resid 44 and name HB )) 2.400 0.700 0.700 peak 226 spectrum 1 weight 0.10000E+01 volume 0.54597E-02 ppm1 3.967 ppm2 5.492 CV 1 ASSI { 227} ( segid "ATXH" and resid 53 and name HG1%) (( segid "ATXH" and resid 32 and name HA1 )) 2.600 0.800 0.800 peak 227 spectrum 1 weight 0.10000E+01 volume 0.54597E-02 ppm1 3.672 ppm2 0.805 CV 1 OR { 227} ( segid "ATXH" and resid 53 and name HG2%) (( segid "ATXH" and resid 32 and name HA1 )) ASSI { 231} (( segid "ATXH" and resid 66 and name HB3 )) (( segid "ATXH" and resid 66 and name HG2 )) 2.500 0.800 0.800 peak 231 spectrum 1 weight 0.10000E+01 volume 0.53766E-02 ppm1 2.480 ppm2 2.247 CV 1 OR { 231} (( segid "ATXH" and resid 66 and name HB3 )) (( segid "ATXH" and resid 66 and name HG3 )) ASSI { 232} (( segid "ATXH" and resid 37 and name HG3 )) (( segid "ATXH" and resid 37 and name HB2 )) 2.500 0.800 0.800 peak 232 spectrum 1 weight 0.10000E+01 volume 0.53766E-02 ppm1 1.744 ppm2 1.228 CV 1 OR { 232} (( segid "ATXH" and resid 37 and name HG2 )) (( segid "ATXH" and resid 37 and name HB2 )) ASSI { 233} (( segid "ATXH" and resid 28 and name HB2 )) (( segid "ATXH" and resid 28 and name HG2 )) 2.400 0.700 0.700 peak 233 spectrum 1 weight 0.10000E+01 volume 0.53647E-02 ppm1 1.466 ppm2 1.845 CV 1 OR { 233} (( segid "ATXH" and resid 28 and name HB3 )) (( segid "ATXH" and resid 28 and name HG2 )) ASSI { 234} (( segid "ATXH" and resid 26 and name HB3 )) (( segid "ATXH" and resid 26 and name HA )) 2.600 0.900 0.900 peak 234 spectrum 1 weight 0.10000E+01 volume 0.53410E-02 ppm1 4.153 ppm2 3.695 CV 1 ASSI { 236} ( segid "ATXH" and resid 45 and name HG2%) (( segid "ATXH" and resid 45 and name HA )) 2.500 0.800 0.800 peak 236 spectrum 1 weight 0.10000E+01 volume 0.53173E-02 ppm1 4.462 ppm2 0.593 CV 1 ASSI { 238} (( segid "ATXH" and resid 57 and name HA )) (( segid "ATXH" and resid 57 and name HB2 )) 2.500 0.800 0.800 peak 238 spectrum 1 weight 0.10000E+01 volume 0.52461E-02 ppm1 1.783 ppm2 3.852 CV 1 ASSI { 239} (( segid "ATXH" and resid 52 and name HB3 )) (( segid "ATXH" and resid 52 and name HA )) 2.600 0.900 0.900 peak 239 spectrum 1 weight 0.10000E+01 volume 0.52223E-02 ppm1 4.468 ppm2 3.840 CV 1 ASSI { 240} (( segid "ATXH" and resid 59 and name HG13)) (( segid "ATXH" and resid 59 and name HG12)) 2.100 0.500 0.500 peak 240 spectrum 1 weight 0.10000E+01 volume 0.51986E-02 ppm1 1.509 ppm2 1.127 CV 1 ASSI { 241} ( segid "ATXH" and resid 60 and name HG2%) (( segid "ATXH" and resid 60 and name HA )) 2.600 0.800 0.800 peak 241 spectrum 1 weight 0.10000E+01 volume 0.51867E-02 ppm1 3.252 ppm2 0.836 CV 1 ASSI { 243} (( segid "ATXH" and resid 7 and name HB3 )) (( segid "ATXH" and resid 7 and name HA )) 2.500 0.800 0.800 peak 243 spectrum 1 weight 0.10000E+01 volume 0.51036E-02 ppm1 4.846 ppm2 1.401 CV 1 ASSI { 246} ( segid "ATXH" and resid 49 and name HG2%) (( segid "ATXH" and resid 49 and name HA )) 2.400 0.800 0.800 peak 246 spectrum 1 weight 0.10000E+01 volume 0.50680E-02 ppm1 5.310 ppm2 0.722 CV 1 ASSI { 247} (( segid "ATXH" and resid 30 and name HG )) ( segid "ATXH" and resid 30 and name HD2%) 2.400 0.700 0.700 peak 247 spectrum 1 weight 0.10000E+01 volume 0.50561E-02 ppm1 0.834 ppm2 1.866 CV 1 ASSI { 251} ( segid "ATXH" and resid 59 and name HG2%) (( segid "ATXH" and resid 59 and name HA )) 2.500 0.800 0.800 peak 251 spectrum 1 weight 0.10000E+01 volume 0.50087E-02 ppm1 3.498 ppm2 0.751 CV 1 ASSI { 254} (( segid "ATXH" and resid 31 and name HA )) (( segid "ATXH" and resid 31 and name HB3 )) 2.700 0.900 0.900 peak 254 spectrum 1 weight 0.10000E+01 volume 0.49850E-02 ppm1 2.647 ppm2 4.440 CV 1 ASSI { 255} (( segid "ATXH" and resid 51 and name HA )) (( segid "ATXH" and resid 51 and name HB3 )) 2.700 0.900 0.900 peak 255 spectrum 1 weight 0.10000E+01 volume 0.49375E-02 ppm1 3.804 ppm2 4.911 CV 1 ASSI { 256} (( segid "ATXH" and resid 64 and name HG3 )) (( segid "ATXH" and resid 64 and name HB2 )) 2.400 0.700 0.700 peak 256 spectrum 1 weight 0.10000E+01 volume 0.48781E-02 ppm1 2.103 ppm2 2.458 CV 1 ASSI { 260} (( segid "ATXH" and resid 34 and name HG3 )) (( segid "ATXH" and resid 48 and name HB )) 2.600 0.900 0.900 peak 260 spectrum 1 weight 0.10000E+01 volume 0.47713E-02 ppm1 3.878 ppm2 2.065 CV 1 ASSI { 262} (( segid "ATXH" and resid 56 and name HG )) (( segid "ATXH" and resid 56 and name HA )) 2.700 0.900 0.900 peak 262 spectrum 1 weight 0.10000E+01 volume 0.47713E-02 ppm1 3.873 ppm2 0.867 CV 1 OR { 262} ( segid "ATXH" and resid 56 and name HD1%) (( segid "ATXH" and resid 56 and name HA )) OR { 262} ( segid "ATXH" and resid 56 and name HD2%) (( segid "ATXH" and resid 56 and name HA )) ASSI { 263} (( segid "ATXH" and resid 14 and name HG2 )) ( segid "ATXH" and resid 14 and name HE% ) 2.600 0.800 0.800 peak 263 spectrum 1 weight 0.10000E+01 volume 0.47594E-02 ppm1 1.776 ppm2 2.059 CV 1 OR { 263} (( segid "ATXH" and resid 14 and name HG3 )) ( segid "ATXH" and resid 14 and name HE% ) ASSI { 267} (( segid "ATXH" and resid 37 and name HG2 )) (( segid "ATXH" and resid 37 and name HB3 )) 2.600 0.800 0.800 peak 267 spectrum 1 weight 0.10000E+01 volume 0.47238E-02 ppm1 1.603 ppm2 1.228 CV 1 OR { 267} (( segid "ATXH" and resid 37 and name HG3 )) (( segid "ATXH" and resid 37 and name HB3 )) ASSI { 268} (( segid "ATXH" and resid 57 and name HG2 )) (( segid "ATXH" and resid 57 and name HB2 )) 2.500 0.800 0.800 peak 268 spectrum 1 weight 0.10000E+01 volume 0.47120E-02 ppm1 1.797 ppm2 1.438 CV 1 OR { 268} (( segid "ATXH" and resid 57 and name HG3 )) (( segid "ATXH" and resid 57 and name HB2 )) ASSI { 269} (( segid "ATXH" and resid 34 and name HB3 )) (( segid "ATXH" and resid 34 and name HA )) 2.700 0.900 0.900 peak 269 spectrum 1 weight 0.10000E+01 volume 0.46645E-02 ppm1 4.403 ppm2 1.649 CV 1 ASSI { 271} (( segid "ATXH" and resid 45 and name HB )) ( segid "ATXH" and resid 9 and name HD2%) 2.700 0.900 0.900 peak 271 spectrum 1 weight 0.10000E+01 volume 0.46526E-02 ppm1 0.703 ppm2 1.731 CV 1 ASSI { 273} (( segid "ATXH" and resid 56 and name HA )) ( segid "ATXH" and resid 56 and name HD2%) 2.800 1.000 1.000 peak 273 spectrum 1 weight 0.10000E+01 volume 0.46526E-02 ppm1 0.871 ppm2 3.870 CV 1 ASSI { 274} (( segid "ATXH" and resid 27 and name HA )) ( segid "ATXH" and resid 27 and name HG2%) 2.500 0.800 0.800 peak 274 spectrum 1 weight 0.10000E+01 volume 0.46407E-02 ppm1 0.893 ppm2 3.716 CV 1 ASSI { 275} (( segid "ATXH" and resid 50 and name HB3 )) (( segid "ATXH" and resid 50 and name HA )) 2.700 0.900 0.900 peak 275 spectrum 1 weight 0.10000E+01 volume 0.46289E-02 ppm1 5.023 ppm2 2.462 CV 1 ASSI { 278} (( segid "ATXH" and resid 56 and name HB2 )) ( segid "ATXH" and resid 56 and name HD2%) 2.800 1.000 1.000 peak 278 spectrum 1 weight 0.10000E+01 volume 0.46051E-02 ppm1 0.870 ppm2 1.753 CV 1 ASSI { 280} (( segid "ATXH" and resid 4 and name HG2 )) (( segid "ATXH" and resid 4 and name HB3 )) 2.700 0.900 0.900 peak 280 spectrum 1 weight 0.10000E+01 volume 0.45933E-02 ppm1 1.793 ppm2 2.637 CV 1 ASSI { 283} (( segid "ATXH" and resid 58 and name HB2 )) (( segid "ATXH" and resid 58 and name HA )) 2.800 1.000 1.000 peak 283 spectrum 1 weight 0.10000E+01 volume 0.45340E-02 ppm1 4.360 ppm2 3.010 CV 1 ASSI { 284} (( segid "ATXH" and resid 39 and name HB2 )) (( segid "ATXH" and resid 39 and name HA )) 2.700 0.900 0.900 peak 284 spectrum 1 weight 0.10000E+01 volume 0.45221E-02 ppm1 4.759 ppm2 2.331 CV 1 ASSI { 286} ( segid "ATXH" and resid 48 and name HG2%) ( segid "ATXH" and resid 4 and name HE% ) 2.600 0.800 0.800 peak 286 spectrum 1 weight 0.10000E+01 volume 0.44983E-02 ppm1 1.915 ppm2 1.105 CV 1 ASSI { 287} (( segid "ATXH" and resid 28 and name HA )) (( segid "ATXH" and resid 28 and name HG2 )) 2.700 0.900 0.900 peak 287 spectrum 1 weight 0.10000E+01 volume 0.44864E-02 ppm1 1.465 ppm2 3.775 CV 1 ASSI { 288} (( segid "ATXH" and resid 46 and name HG2 )) (( segid "ATXH" and resid 46 and name HA )) 2.600 0.800 0.800 peak 288 spectrum 1 weight 0.10000E+01 volume 0.44746E-02 ppm1 5.252 ppm2 2.183 CV 1 ASSI { 290} (( segid "ATXH" and resid 54 and name HA )) ( segid "ATXH" and resid 54 and name HG1%) 2.900 1.100 1.100 peak 290 spectrum 1 weight 0.10000E+01 volume 0.44390E-02 ppm1 1.161 ppm2 4.641 CV 1 ASSI { 291} (( segid "ATXH" and resid 45 and name HB )) ( segid "ATXH" and resid 45 and name HG2%) 2.500 0.800 0.800 peak 291 spectrum 1 weight 0.10000E+01 volume 0.44390E-02 ppm1 0.593 ppm2 1.728 CV 1 ASSI { 293} (( segid "ATXH" and resid 4 and name HB3 )) (( segid "ATXH" and resid 4 and name HG3 )) 2.600 0.800 0.800 peak 293 spectrum 1 weight 0.10000E+01 volume 0.44390E-02 ppm1 2.451 ppm2 1.794 CV 1 ASSI { 295} ( segid "ATXH" and resid 9 and name HD2%) (( segid "ATXH" and resid 9 and name HB2 )) 3.000 1.100 1.100 peak 295 spectrum 1 weight 0.10000E+01 volume 0.44153E-02 ppm1 1.571 ppm2 0.707 CV 1 ASSI { 297} ( segid "ATXH" and resid 44 and name HG2%) (( segid "ATXH" and resid 42 and name HB2 )) 2.900 1.000 1.000 peak 297 spectrum 1 weight 0.10000E+01 volume 0.43559E-02 ppm1 2.094 ppm2 0.932 CV 1 ASSI { 298} (( segid "ATXH" and resid 64 and name HB2 )) (( segid "ATXH" and resid 64 and name HG2 )) 3.000 1.100 1.100 peak 298 spectrum 1 weight 0.10000E+01 volume 0.42965E-02 ppm1 2.684 ppm2 2.087 CV 1 ASSI { 299} (( segid "ATXH" and resid 63 and name HG13)) (( segid "ATXH" and resid 63 and name HB )) 2.400 0.700 0.700 peak 299 spectrum 1 weight 0.10000E+01 volume 0.42728E-02 ppm1 1.795 ppm2 0.568 CV 1 OR { 299} ( segid "ATXH" and resid 63 and name HD1%) (( segid "ATXH" and resid 63 and name HB )) ASSI { 301} ( segid "ATXH" and resid 20 and name HG1%) (( segid "ATXH" and resid 20 and name HB )) 2.600 0.800 0.800 peak 301 spectrum 1 weight 0.10000E+01 volume 0.42728E-02 ppm1 2.102 ppm2 1.075 CV 1 ASSI { 302} ( segid "ATXH" and resid 23 and name HG2%) (( segid "ATXH" and resid 23 and name HA )) 2.900 1.100 1.100 peak 302 spectrum 1 weight 0.10000E+01 volume 0.42610E-02 ppm1 3.444 ppm2 0.566 CV 1 ASSI { 303} (( segid "ATXH" and resid 57 and name HA )) (( segid "ATXH" and resid 60 and name HB )) 2.500 0.800 0.800 peak 303 spectrum 1 weight 0.10000E+01 volume 0.42610E-02 ppm1 2.004 ppm2 3.856 CV 1 ASSI { 305} ( segid "ATXH" and resid 61 and name HB% ) (( segid "ATXH" and resid 58 and name HA )) 2.600 0.900 0.900 peak 305 spectrum 1 weight 0.10000E+01 volume 0.42254E-02 ppm1 4.362 ppm2 1.489 CV 1 ASSI { 312} (( segid "ATXH" and resid 70 and name HB )) ( segid "ATXH" and resid 70 and name HG2%) 2.600 0.800 0.800 peak 312 spectrum 1 weight 0.10000E+01 volume 0.41067E-02 ppm1 0.933 ppm2 2.063 CV 1 ASSI { 313} (( segid "ATXH" and resid 39 and name HG2 )) (( segid "ATXH" and resid 39 and name HA )) 2.600 0.800 0.800 peak 313 spectrum 1 weight 0.10000E+01 volume 0.40829E-02 ppm1 4.756 ppm2 2.171 CV 1 ASSI { 315} (( segid "ATXH" and resid 49 and name HB )) (( segid "ATXH" and resid 49 and name HA )) 2.500 0.800 0.800 peak 315 spectrum 1 weight 0.10000E+01 volume 0.40711E-02 ppm1 5.311 ppm2 1.559 CV 1 ASSI { 316} (( segid "ATXH" and resid 37 and name HB3 )) (( segid "ATXH" and resid 37 and name HA )) 2.600 0.800 0.800 peak 316 spectrum 1 weight 0.10000E+01 volume 0.40592E-02 ppm1 4.701 ppm2 1.618 CV 1 OR { 316} (( segid "ATXH" and resid 37 and name HD2 )) (( segid "ATXH" and resid 37 and name HA )) ASSI { 320} (( segid "ATXH" and resid 30 and name HB3 )) ( segid "ATXH" and resid 30 and name HD1%) 2.500 0.800 0.800 peak 320 spectrum 1 weight 0.10000E+01 volume 0.40354E-02 ppm1 0.878 ppm2 1.323 CV 1 ASSI { 321} (( segid "ATXH" and resid 70 and name HA )) ( segid "ATXH" and resid 70 and name HG1%) 2.700 0.900 0.900 peak 321 spectrum 1 weight 0.10000E+01 volume 0.40236E-02 ppm1 0.984 ppm2 4.537 CV 1 ASSI { 322} (( segid "ATXH" and resid 33 and name HA )) (( segid "ATXH" and resid 49 and name HA )) 2.500 0.800 0.800 peak 322 spectrum 1 weight 0.10000E+01 volume 0.39998E-02 ppm1 5.310 ppm2 4.072 CV 1 ASSI { 324} ( segid "ATXH" and resid 54 and name HG2%) (( segid "ATXH" and resid 54 and name HB )) 2.500 0.800 0.800 peak 324 spectrum 1 weight 0.10000E+01 volume 0.39880E-02 ppm1 2.379 ppm2 0.723 CV 1 ASSI { 326} (( segid "ATXH" and resid 30 and name HG )) ( segid "ATXH" and resid 30 and name HD1%) 2.600 0.800 0.800 peak 326 spectrum 1 weight 0.10000E+01 volume 0.39405E-02 ppm1 0.878 ppm2 1.860 CV 1 ASSI { 328} ( segid "ATXH" and resid 48 and name HG2%) (( segid "ATXH" and resid 4 and name HB2 )) 3.000 1.100 1.100 peak 328 spectrum 1 weight 0.10000E+01 volume 0.39168E-02 ppm1 1.961 ppm2 1.101 CV 1 ASSI { 329} (( segid "ATXH" and resid 18 and name HB3 )) (( segid "ATXH" and resid 18 and name HB2 )) 2.300 0.700 0.700 peak 329 spectrum 1 weight 0.10000E+01 volume 0.39168E-02 ppm1 3.298 ppm2 3.115 CV 1 ASSI { 332} (( segid "ATXH" and resid 34 and name HB2 )) (( segid "ATXH" and resid 34 and name HA )) 2.600 0.900 0.900 peak 332 spectrum 1 weight 0.10000E+01 volume 0.38574E-02 ppm1 4.402 ppm2 1.895 CV 1 ASSI { 338} ( segid "ATXH" and resid 8 and name HG2%) (( segid "ATXH" and resid 44 and name HB )) 2.600 0.800 0.800 peak 338 spectrum 1 weight 0.10000E+01 volume 0.37625E-02 ppm1 3.968 ppm2 1.076 CV 1 ASSI { 339} (( segid "ATXH" and resid 27 and name HB )) ( segid "ATXH" and resid 27 and name HG1%) 2.500 0.800 0.800 peak 339 spectrum 1 weight 0.10000E+01 volume 0.37506E-02 ppm1 0.922 ppm2 2.072 CV 1 ASSI { 340} (( segid "ATXH" and resid 35 and name HA )) (( segid "ATXH" and resid 35 and name HG2 )) 2.700 0.900 0.900 peak 340 spectrum 1 weight 0.10000E+01 volume 0.37031E-02 ppm1 2.266 ppm2 4.641 CV 1 ASSI { 341} ( segid "ATXH" and resid 14 and name HE% ) (( segid "ATXH" and resid 43 and name HA2 )) 3.400 1.400 1.400 peak 341 spectrum 1 weight 0.10000E+01 volume 0.37031E-02 ppm1 4.053 ppm2 1.769 CV 1 ASSI { 343} (( segid "ATXH" and resid 13 and name HA1 )) (( segid "ATXH" and resid 13 and name HA2 )) 2.400 0.700 0.700 peak 343 spectrum 1 weight 0.10000E+01 volume 0.36557E-02 ppm1 4.641 ppm2 3.724 CV 1 ASSI { 344} (( segid "ATXH" and resid 11 and name HA )) ( segid "ATXH" and resid 70 and name HG2%) 2.800 1.000 1.000 peak 344 spectrum 1 weight 0.10000E+01 volume 0.36557E-02 ppm1 0.940 ppm2 4.749 CV 1 ASSI { 345} (( segid "ATXH" and resid 50 and name HB2 )) (( segid "ATXH" and resid 50 and name HA )) 2.600 0.800 0.800 peak 345 spectrum 1 weight 0.10000E+01 volume 0.36438E-02 ppm1 5.023 ppm2 2.945 CV 1 ASSI { 346} (( segid "ATXH" and resid 11 and name HA )) ( segid "ATXH" and resid 11 and name HG1%) 2.700 0.900 0.900 peak 346 spectrum 1 weight 0.10000E+01 volume 0.36438E-02 ppm1 0.650 ppm2 4.763 CV 1 ASSI { 349} (( segid "ATXH" and resid 46 and name HB2 )) (( segid "ATXH" and resid 46 and name HA )) 2.700 0.900 0.900 peak 349 spectrum 1 weight 0.10000E+01 volume 0.36082E-02 ppm1 5.257 ppm2 1.924 CV 1 OR { 349} (( segid "ATXH" and resid 46 and name HB3 )) (( segid "ATXH" and resid 46 and name HA )) ASSI { 352} (( segid "ATXH" and resid 62 and name HA )) (( segid "ATXH" and resid 65 and name HB2 )) 2.900 1.000 1.000 peak 352 spectrum 1 weight 0.10000E+01 volume 0.35607E-02 ppm1 2.899 ppm2 3.868 CV 1 ASSI { 353} (( segid "ATXH" and resid 1 and name HB2 )) (( segid "ATXH" and resid 1 and name HA )) 2.700 0.900 0.900 peak 353 spectrum 1 weight 0.10000E+01 volume 0.35488E-02 ppm1 4.534 ppm2 3.864 CV 1 OR { 353} (( segid "ATXH" and resid 1 and name HB3 )) (( segid "ATXH" and resid 1 and name HA )) ASSI { 355} ( segid "ATXH" and resid 7 and name HD2%) (( segid "ATXH" and resid 7 and name HB2 )) 2.900 1.000 1.000 peak 355 spectrum 1 weight 0.10000E+01 volume 0.34895E-02 ppm1 1.589 ppm2 0.851 CV 1 ASSI { 356} ( segid "ATXH" and resid 23 and name HG2%) (( segid "ATXH" and resid 23 and name HB )) 2.600 0.800 0.800 peak 356 spectrum 1 weight 0.10000E+01 volume 0.34776E-02 ppm1 1.733 ppm2 0.563 CV 1 ASSI { 357} (( segid "ATXH" and resid 62 and name HB )) (( segid "ATXH" and resid 62 and name HA )) 2.700 0.900 0.900 peak 357 spectrum 1 weight 0.10000E+01 volume 0.34539E-02 ppm1 3.867 ppm2 2.197 CV 1 ASSI { 358} (( segid "ATXH" and resid 37 and name HA )) (( segid "ATXH" and resid 37 and name HG2 )) 2.700 0.900 0.900 peak 358 spectrum 1 weight 0.10000E+01 volume 0.34420E-02 ppm1 1.232 ppm2 4.706 CV 1 OR { 358} (( segid "ATXH" and resid 37 and name HA )) (( segid "ATXH" and resid 37 and name HG3 )) ASSI { 359} (( segid "ATXH" and resid 28 and name HA )) (( segid "ATXH" and resid 33 and name HB )) 2.700 0.900 0.900 peak 359 spectrum 1 weight 0.10000E+01 volume 0.34420E-02 ppm1 2.269 ppm2 3.785 CV 1 ASSI { 360} ( segid "ATXH" and resid 56 and name HD2%) (( segid "ATXH" and resid 56 and name HB2 )) 2.800 0.900 0.900 peak 360 spectrum 1 weight 0.10000E+01 volume 0.34301E-02 ppm1 1.752 ppm2 0.865 CV 1 OR { 360} (( segid "ATXH" and resid 56 and name HG )) (( segid "ATXH" and resid 56 and name HB2 )) OR { 360} ( segid "ATXH" and resid 56 and name HD1%) (( segid "ATXH" and resid 56 and name HB2 )) ASSI { 361} (( segid "ATXH" and resid 5 and name HA )) (( segid "ATXH" and resid 5 and name HG2 )) 2.700 0.900 0.900 peak 361 spectrum 1 weight 0.10000E+01 volume 0.34301E-02 ppm1 2.188 ppm2 4.628 CV 1 ASSI { 364} (( segid "ATXH" and resid 33 and name HA )) ( segid "ATXH" and resid 33 and name HG2%) 2.600 0.800 0.800 peak 364 spectrum 1 weight 0.10000E+01 volume 0.33945E-02 ppm1 0.647 ppm2 4.072 CV 1 ASSI { 367} (( segid "ATXH" and resid 9 and name HB3 )) ( segid "ATXH" and resid 9 and name HD1%) 3.000 1.200 1.200 peak 367 spectrum 1 weight 0.10000E+01 volume 0.33826E-02 ppm1 0.634 ppm2 1.265 CV 1 ASSI { 368} (( segid "ATXH" and resid 68 and name HB2 )) (( segid "ATXH" and resid 68 and name HA )) 3.000 1.100 1.100 peak 368 spectrum 1 weight 0.10000E+01 volume 0.33826E-02 ppm1 4.657 ppm2 2.985 CV 1 ASSI { 369} (( segid "ATXH" and resid 50 and name HB3 )) ( segid "ATXH" and resid 53 and name HG2%) 2.800 1.000 1.000 peak 369 spectrum 1 weight 0.10000E+01 volume 0.33708E-02 ppm1 0.827 ppm2 2.456 CV 1 OR { 369} (( segid "ATXH" and resid 50 and name HB3 )) ( segid "ATXH" and resid 53 and name HG1%) ASSI { 372} (( segid "ATXH" and resid 66 and name HB2 )) (( segid "ATXH" and resid 66 and name HA )) 2.900 1.000 1.000 peak 372 spectrum 1 weight 0.10000E+01 volume 0.33471E-02 ppm1 4.262 ppm2 2.486 CV 1 OR { 372} (( segid "ATXH" and resid 66 and name HG3 )) (( segid "ATXH" and resid 66 and name HA )) OR { 372} (( segid "ATXH" and resid 66 and name HG2 )) (( segid "ATXH" and resid 66 and name HA )) ASSI { 373} (( segid "ATXH" and resid 10 and name HA )) ( segid "ATXH" and resid 44 and name HG2%) 2.600 0.900 0.900 peak 373 spectrum 1 weight 0.10000E+01 volume 0.33114E-02 ppm1 0.934 ppm2 4.679 CV 1 ASSI { 375} ( segid "ATXH" and resid 11 and name HG1%) ( segid "ATXH" and resid 14 and name HE% ) 2.700 0.900 0.900 peak 375 spectrum 1 weight 0.10000E+01 volume 0.32877E-02 ppm1 1.773 ppm2 0.633 CV 1 ASSI { 379} ( segid "ATXH" and resid 38 and name HG1%) (( segid "ATXH" and resid 38 and name HA )) 2.800 1.000 1.000 peak 379 spectrum 1 weight 0.10000E+01 volume 0.32758E-02 ppm1 4.302 ppm2 0.922 CV 1 ASSI { 384} (( segid "ATXH" and resid 57 and name HD3 )) (( segid "ATXH" and resid 61 and name HA )) 3.000 1.100 1.100 peak 384 spectrum 1 weight 0.10000E+01 volume 0.31928E-02 ppm1 4.189 ppm2 1.588 CV 1 OR { 384} (( segid "ATXH" and resid 57 and name HD2 )) (( segid "ATXH" and resid 61 and name HA )) ASSI { 385} ( segid "ATXH" and resid 70 and name HG2%) (( segid "ATXH" and resid 11 and name HA )) 2.700 0.900 0.900 peak 385 spectrum 1 weight 0.10000E+01 volume 0.31809E-02 ppm1 4.764 ppm2 0.961 CV 1 OR { 385} ( segid "ATXH" and resid 70 and name HG1%) (( segid "ATXH" and resid 11 and name HA )) ASSI { 387} (( segid "ATXH" and resid 37 and name HG3 )) (( segid "ATXH" and resid 37 and name HE2 )) 2.900 1.000 1.000 peak 387 spectrum 1 weight 0.10000E+01 volume 0.31690E-02 ppm1 2.862 ppm2 1.227 CV 1 OR { 387} (( segid "ATXH" and resid 37 and name HG2 )) (( segid "ATXH" and resid 37 and name HE2 )) OR { 387} (( segid "ATXH" and resid 37 and name HG3 )) (( segid "ATXH" and resid 37 and name HE3 )) OR { 387} (( segid "ATXH" and resid 37 and name HG2 )) (( segid "ATXH" and resid 37 and name HE3 )) ASSI { 390} (( segid "ATXH" and resid 39 and name HA )) (( segid "ATXH" and resid 39 and name HB3 )) 2.600 0.800 0.800 peak 390 spectrum 1 weight 0.10000E+01 volume 0.31453E-02 ppm1 2.025 ppm2 4.751 CV 1 ASSI { 395} (( segid "ATXH" and resid 59 and name HG12)) (( segid "ATXH" and resid 59 and name HB )) 2.700 0.900 0.900 peak 395 spectrum 1 weight 0.10000E+01 volume 0.30978E-02 ppm1 2.011 ppm2 1.551 CV 1 ASSI { 397} (( segid "ATXH" and resid 57 and name HA )) ( segid "ATXH" and resid 60 and name HG1%) 3.300 1.300 1.300 peak 397 spectrum 1 weight 0.10000E+01 volume 0.30741E-02 ppm1 0.971 ppm2 3.853 CV 1 ASSI { 400} (( segid "ATXH" and resid 59 and name HG13)) ( segid "ATXH" and resid 59 and name HD1%) 2.600 0.900 0.900 peak 400 spectrum 1 weight 0.10000E+01 volume 0.30622E-02 ppm1 0.678 ppm2 1.146 CV 1 ASSI { 401} (( segid "ATXH" and resid 14 and name HB3 )) (( segid "ATXH" and resid 14 and name HB2 )) 2.400 0.700 0.700 peak 401 spectrum 1 weight 0.10000E+01 volume 0.30504E-02 ppm1 2.320 ppm2 1.430 CV 1 ASSI { 407} (( segid "ATXH" and resid 43 and name HA1 )) ( segid "ATXH" and resid 14 and name HE% ) 2.600 0.900 0.900 peak 407 spectrum 1 weight 0.10000E+01 volume 0.30147E-02 ppm1 1.773 ppm2 3.625 CV 1 ASSI { 408} ( segid "ATXH" and resid 9 and name HD2%) (( segid "ATXH" and resid 9 and name HB3 )) 2.600 0.900 0.900 peak 408 spectrum 1 weight 0.10000E+01 volume 0.30147E-02 ppm1 1.252 ppm2 0.699 CV 1 ASSI { 409} (( segid "ATXH" and resid 9 and name HB3 )) (( segid "ATXH" and resid 9 and name HA )) 2.600 0.900 0.900 peak 409 spectrum 1 weight 0.10000E+01 volume 0.30028E-02 ppm1 4.855 ppm2 1.245 CV 1 ASSI { 411} (( segid "ATXH" and resid 51 and name HA )) ( segid "ATXH" and resid 49 and name HD1%) 2.800 1.000 1.000 peak 411 spectrum 1 weight 0.10000E+01 volume 0.29672E-02 ppm1 0.649 ppm2 4.909 CV 1 ASSI { 414} ( segid "ATXH" and resid 49 and name HD1%) (( segid "ATXH" and resid 51 and name HB2 )) 2.900 1.100 1.100 peak 414 spectrum 1 weight 0.10000E+01 volume 0.29316E-02 ppm1 4.197 ppm2 0.651 CV 1 ASSI { 416} (( segid "ATXH" and resid 71 and name HG3 )) (( segid "ATXH" and resid 71 and name HA )) 2.900 1.100 1.100 peak 416 spectrum 1 weight 0.10000E+01 volume 0.29079E-02 ppm1 4.513 ppm2 2.284 CV 1 OR { 416} (( segid "ATXH" and resid 71 and name HG2 )) (( segid "ATXH" and resid 71 and name HA )) ASSI { 418} (( segid "ATXH" and resid 30 and name HB3 )) ( segid "ATXH" and resid 59 and name HD1%) 2.700 0.900 0.900 peak 418 spectrum 1 weight 0.10000E+01 volume 0.29079E-02 ppm1 0.690 ppm2 1.324 CV 1 ASSI { 421} (( segid "ATXH" and resid 42 and name HA )) (( segid "ATXH" and resid 42 and name HB2 )) 2.900 1.100 1.100 peak 421 spectrum 1 weight 0.10000E+01 volume 0.28485E-02 ppm1 2.095 ppm2 4.232 CV 1 ASSI { 422} (( segid "ATXH" and resid 5 and name HA )) (( segid "ATXH" and resid 5 and name HB3 )) 2.700 0.900 0.900 peak 422 spectrum 1 weight 0.10000E+01 volume 0.28485E-02 ppm1 1.825 ppm2 4.627 CV 1 ASSI { 423} (( segid "ATXH" and resid 58 and name HB2 )) ( segid "ATXH" and resid 54 and name HG1%) 3.200 1.300 1.300 peak 423 spectrum 1 weight 0.10000E+01 volume 0.28485E-02 ppm1 1.160 ppm2 3.017 CV 1 ASSI { 424} (( segid "ATXH" and resid 59 and name HG12)) ( segid "ATXH" and resid 59 and name HG2%) 3.000 1.100 1.100 peak 424 spectrum 1 weight 0.10000E+01 volume 0.28485E-02 ppm1 0.755 ppm2 1.559 CV 1 ASSI { 426} (( segid "ATXH" and resid 56 and name HA )) (( segid "ATXH" and resid 56 and name HB2 )) 2.900 1.000 1.000 peak 426 spectrum 1 weight 0.10000E+01 volume 0.28367E-02 ppm1 1.752 ppm2 3.870 CV 1 ASSI { 427} (( segid "ATXH" and resid 36 and name HA )) (( segid "ATXH" and resid 47 and name HB )) 3.500 1.500 1.500 peak 427 spectrum 1 weight 0.10000E+01 volume 0.28367E-02 ppm1 1.890 ppm2 4.953 CV 1 ASSI { 429} (( segid "ATXH" and resid 17 and name HA1 )) (( segid "ATXH" and resid 40 and name HG )) 2.700 0.900 0.900 peak 429 spectrum 1 weight 0.10000E+01 volume 0.28248E-02 ppm1 1.565 ppm2 3.863 CV 1 ASSI { 431} ( segid "ATXH" and resid 48 and name HG2%) (( segid "ATXH" and resid 34 and name HB3 )) 2.800 1.000 1.000 peak 431 spectrum 1 weight 0.10000E+01 volume 0.28129E-02 ppm1 1.648 ppm2 1.104 CV 1 ASSI { 434} (( segid "ATXH" and resid 53 and name HB )) (( segid "ATXH" and resid 32 and name HA1 )) 2.800 1.000 1.000 peak 434 spectrum 1 weight 0.10000E+01 volume 0.27655E-02 ppm1 3.673 ppm2 1.994 CV 1 ASSI { 436} (( segid "ATXH" and resid 4 and name HG3 )) (( segid "ATXH" and resid 4 and name HA )) 3.200 1.300 1.300 peak 436 spectrum 1 weight 0.10000E+01 volume 0.27418E-02 ppm1 5.179 ppm2 2.453 CV 1 ASSI { 437} (( segid "ATXH" and resid 37 and name HB2 )) (( segid "ATXH" and resid 37 and name HA )) 2.900 1.100 1.100 peak 437 spectrum 1 weight 0.10000E+01 volume 0.27418E-02 ppm1 4.701 ppm2 1.749 CV 1 ASSI { 438} (( segid "ATXH" and resid 45 and name HB )) ( segid "ATXH" and resid 9 and name HD1%) 2.800 1.000 1.000 peak 438 spectrum 1 weight 0.10000E+01 volume 0.27418E-02 ppm1 0.634 ppm2 1.729 CV 1 ASSI { 446} (( segid "ATXH" and resid 46 and name HG3 )) (( segid "ATXH" and resid 8 and name HA )) 3.000 1.200 1.200 peak 446 spectrum 1 weight 0.10000E+01 volume 0.26942E-02 ppm1 4.855 ppm2 2.107 CV 1 ASSI { 447} (( segid "ATXH" and resid 45 and name HB )) (( segid "ATXH" and resid 9 and name HB3 )) 3.200 1.300 1.300 peak 447 spectrum 1 weight 0.10000E+01 volume 0.26942E-02 ppm1 1.257 ppm2 1.716 CV 1 ASSI { 448} (( segid "ATXH" and resid 40 and name HA )) (( segid "ATXH" and resid 40 and name HB2 )) 2.700 0.900 0.900 peak 448 spectrum 1 weight 0.10000E+01 volume 0.26942E-02 ppm1 1.599 ppm2 3.810 CV 1 ASSI { 449} (( segid "ATXH" and resid 53 and name HB )) (( segid "ATXH" and resid 53 and name HA )) 2.800 1.000 1.000 peak 449 spectrum 1 weight 0.10000E+01 volume 0.26824E-02 ppm1 4.149 ppm2 1.997 CV 1 ASSI { 450} (( segid "ATXH" and resid 28 and name HB3 )) (( segid "ATXH" and resid 25 and name HA )) 2.600 0.800 0.800 peak 450 spectrum 1 weight 0.10000E+01 volume 0.26824E-02 ppm1 4.047 ppm2 1.847 CV 1 OR { 450} (( segid "ATXH" and resid 28 and name HB2 )) (( segid "ATXH" and resid 25 and name HA )) ASSI { 452} (( segid "ATXH" and resid 59 and name HB )) (( segid "ATXH" and resid 59 and name HA )) 2.900 1.000 1.000 peak 452 spectrum 1 weight 0.10000E+01 volume 0.26705E-02 ppm1 3.500 ppm2 2.011 CV 1 ASSI { 456} (( segid "ATXH" and resid 68 and name HB3 )) (( segid "ATXH" and resid 68 and name HA )) 2.700 0.900 0.900 peak 456 spectrum 1 weight 0.10000E+01 volume 0.26349E-02 ppm1 4.657 ppm2 2.292 CV 1 ASSI { 457} (( segid "ATXH" and resid 37 and name HA )) (( segid "ATXH" and resid 37 and name HB3 )) 2.700 0.900 0.900 peak 457 spectrum 1 weight 0.10000E+01 volume 0.26349E-02 ppm1 1.614 ppm2 4.704 CV 1 ASSI { 460} (( segid "ATXH" and resid 11 and name HA )) ( segid "ATXH" and resid 11 and name HG2%) 2.900 1.000 1.000 peak 460 spectrum 1 weight 0.10000E+01 volume 0.26112E-02 ppm1 0.701 ppm2 4.758 CV 1 ASSI { 462} ( segid "ATXH" and resid 63 and name HG2%) (( segid "ATXH" and resid 63 and name HA )) 2.800 1.000 1.000 peak 462 spectrum 1 weight 0.10000E+01 volume 0.25993E-02 ppm1 3.472 ppm2 0.764 CV 1 ASSI { 463} (( segid "ATXH" and resid 63 and name HG13)) (( segid "ATXH" and resid 63 and name HA )) 3.000 1.100 1.100 peak 463 spectrum 1 weight 0.10000E+01 volume 0.25993E-02 ppm1 3.471 ppm2 0.564 CV 1 OR { 463} ( segid "ATXH" and resid 63 and name HD1%) (( segid "ATXH" and resid 63 and name HA )) ASSI { 464} (( segid "ATXH" and resid 66 and name HA )) ( segid "ATXH" and resid 22 and name HB% ) 3.100 3.100 2.900 peak 464 spectrum 1 weight 0.10000E+01 volume 0.25993E-02 ppm1 1.583 ppm2 4.264 CV 1 ASSI { 467} (( segid "ATXH" and resid 2 and name HA )) (( segid "ATXH" and resid 2 and name HB2 )) 2.900 1.000 1.000 peak 467 spectrum 1 weight 0.10000E+01 volume 0.25637E-02 ppm1 2.834 ppm2 4.701 CV 1 ASSI { 469} ( segid "ATXH" and resid 63 and name HD1%) (( segid "ATXH" and resid 60 and name HA )) 2.800 0.900 0.900 peak 469 spectrum 1 weight 0.10000E+01 volume 0.25518E-02 ppm1 3.252 ppm2 0.577 CV 1 OR { 469} (( segid "ATXH" and resid 63 and name HG13)) (( segid "ATXH" and resid 60 and name HA )) ASSI { 471} (( segid "ATXH" and resid 2 and name HB3 )) (( segid "ATXH" and resid 2 and name HA )) 3.000 1.100 1.100 peak 471 spectrum 1 weight 0.10000E+01 volume 0.25518E-02 ppm1 4.700 ppm2 2.746 CV 1 ASSI { 472} (( segid "ATXH" and resid 45 and name HB )) ( segid "ATXH" and resid 45 and name HG1%) 2.700 0.900 0.900 peak 472 spectrum 1 weight 0.10000E+01 volume 0.25518E-02 ppm1 0.778 ppm2 1.764 CV 1 ASSI { 473} ( segid "ATXH" and resid 49 and name HD1%) (( segid "ATXH" and resid 51 and name HB3 )) 2.900 1.100 1.100 peak 473 spectrum 1 weight 0.10000E+01 volume 0.25518E-02 ppm1 3.805 ppm2 0.653 CV 1 ASSI { 474} ( segid "ATXH" and resid 38 and name HG2%) (( segid "ATXH" and resid 20 and name HA )) 2.800 1.000 1.000 peak 474 spectrum 1 weight 0.10000E+01 volume 0.25162E-02 ppm1 3.542 ppm2 0.784 CV 1 ASSI { 477} (( segid "ATXH" and resid 63 and name HG12)) (( segid "ATXH" and resid 63 and name HG13)) 2.300 0.700 0.700 peak 477 spectrum 1 weight 0.10000E+01 volume 0.25043E-02 ppm1 0.572 ppm2 0.912 CV 1 ASSI { 482} ( segid "ATXH" and resid 23 and name HG2%) (( segid "ATXH" and resid 20 and name HA )) 2.700 0.900 0.900 peak 482 spectrum 1 weight 0.10000E+01 volume 0.24688E-02 ppm1 3.542 ppm2 0.578 CV 1 ASSI { 483} (( segid "ATXH" and resid 60 and name HA )) (( segid "ATXH" and resid 60 and name HB )) 2.900 1.100 1.100 peak 483 spectrum 1 weight 0.10000E+01 volume 0.24688E-02 ppm1 2.006 ppm2 3.255 CV 1 ASSI { 484} (( segid "ATXH" and resid 28 and name HA )) ( segid "ATXH" and resid 33 and name HG1%) 2.700 0.900 0.900 peak 484 spectrum 1 weight 0.10000E+01 volume 0.24569E-02 ppm1 0.828 ppm2 3.813 CV 1 ASSI { 485} (( segid "ATXH" and resid 30 and name HA )) (( segid "ATXH" and resid 30 and name HB2 )) 2.900 1.100 1.100 peak 485 spectrum 1 weight 0.10000E+01 volume 0.24569E-02 ppm1 1.991 ppm2 4.176 CV 1 ASSI { 487} (( segid "ATXH" and resid 30 and name HA )) (( segid "ATXH" and resid 31 and name HB2 )) 3.500 1.500 1.500 peak 487 spectrum 1 weight 0.10000E+01 volume 0.24569E-02 ppm1 2.726 ppm2 4.170 CV 1 ASSI { 488} ( segid "ATXH" and resid 38 and name HG2%) (( segid "ATXH" and resid 38 and name HA )) 2.800 0.900 0.900 peak 488 spectrum 1 weight 0.10000E+01 volume 0.24450E-02 ppm1 4.302 ppm2 0.814 CV 1 ASSI { 493} (( segid "ATXH" and resid 60 and name HA )) (( segid "ATXH" and resid 63 and name HB )) 2.700 0.900 0.900 peak 493 spectrum 1 weight 0.10000E+01 volume 0.23738E-02 ppm1 1.795 ppm2 3.251 CV 1 ASSI { 494} (( segid "ATXH" and resid 68 and name HB3 )) ( segid "ATXH" and resid 63 and name HG2%) 3.400 1.400 1.400 peak 494 spectrum 1 weight 0.10000E+01 volume 0.23619E-02 ppm1 0.771 ppm2 2.292 CV 1 ASSI { 496} (( segid "ATXH" and resid 59 and name HG13)) (( segid "ATXH" and resid 59 and name HB )) 2.700 0.900 0.900 peak 496 spectrum 1 weight 0.10000E+01 volume 0.23619E-02 ppm1 2.007 ppm2 1.125 CV 1 ASSI { 499} ( segid "ATXH" and resid 60 and name HG1%) (( segid "ATXH" and resid 59 and name HB )) 3.600 1.600 1.600 peak 499 spectrum 1 weight 0.10000E+01 volume 0.23500E-02 ppm1 2.007 ppm2 0.979 CV 1 ASSI { 501} (( segid "ATXH" and resid 56 and name HA )) (( segid "ATXH" and resid 59 and name HB )) 2.900 1.000 1.000 peak 501 spectrum 1 weight 0.10000E+01 volume 0.23263E-02 ppm1 2.011 ppm2 3.873 CV 1 ASSI { 503} ( segid "ATXH" and resid 68 and name HD% ) (( segid "ATXH" and resid 68 and name HB2 )) 2.700 0.900 0.900 peak 503 spectrum 1 weight 0.10000E+01 volume 0.23026E-02 ppm1 3.002 ppm2 6.884 CV 1 ASSI { 506} (( segid "ATXH" and resid 48 and name HA )) (( segid "ATXH" and resid 48 and name HB )) 2.900 1.100 1.100 peak 506 spectrum 1 weight 0.10000E+01 volume 0.22670E-02 ppm1 3.877 ppm2 5.226 CV 1 ASSI { 507} (( segid "ATXH" and resid 29 and name HG3 )) (( segid "ATXH" and resid 29 and name HA )) 3.200 1.300 1.300 peak 507 spectrum 1 weight 0.10000E+01 volume 0.22670E-02 ppm1 4.051 ppm2 2.326 CV 1 ASSI { 509} ( segid "ATXH" and resid 14 and name HE% ) ( segid "ATXH" and resid 40 and name HD1%) 3.300 1.300 1.300 peak 509 spectrum 1 weight 0.10000E+01 volume 0.22551E-02 ppm1 0.822 ppm2 1.755 CV 1 ASSI { 510} (( segid "ATXH" and resid 7 and name HA )) (( segid "ATXH" and resid 7 and name HB2 )) 3.000 1.100 1.100 peak 510 spectrum 1 weight 0.10000E+01 volume 0.22551E-02 ppm1 1.588 ppm2 4.843 CV 1 ASSI { 511} ( segid "ATXH" and resid 7 and name HD1%) (( segid "ATXH" and resid 7 and name HB2 )) 2.900 1.000 1.000 peak 511 spectrum 1 weight 0.10000E+01 volume 0.22313E-02 ppm1 1.587 ppm2 0.787 CV 1 OR { 511} (( segid "ATXH" and resid 7 and name HG )) (( segid "ATXH" and resid 7 and name HB2 )) ASSI { 512} (( segid "ATXH" and resid 42 and name HG3 )) (( segid "ATXH" and resid 42 and name HA )) 3.100 1.200 1.200 peak 512 spectrum 1 weight 0.10000E+01 volume 0.22195E-02 ppm1 4.233 ppm2 2.260 CV 1 ASSI { 513} (( segid "ATXH" and resid 61 and name HA )) (( segid "ATXH" and resid 64 and name HB2 )) 2.900 1.000 1.000 peak 513 spectrum 1 weight 0.10000E+01 volume 0.22195E-02 ppm1 2.099 ppm2 4.195 CV 1 ASSI { 515} (( segid "ATXH" and resid 7 and name HB3 )) ( segid "ATXH" and resid 9 and name HD1%) 2.900 1.100 1.100 peak 515 spectrum 1 weight 0.10000E+01 volume 0.22195E-02 ppm1 0.638 ppm2 1.410 CV 1 ASSI { 516} (( segid "ATXH" and resid 54 and name HB )) (( segid "ATXH" and resid 32 and name HA2 )) 2.600 0.900 0.900 peak 516 spectrum 1 weight 0.10000E+01 volume 0.22195E-02 ppm1 4.226 ppm2 2.371 CV 1 ASSI { 518} (( segid "ATXH" and resid 6 and name HA )) (( segid "ATXH" and resid 6 and name HB3 )) 2.800 1.000 1.000 peak 518 spectrum 1 weight 0.10000E+01 volume 0.21839E-02 ppm1 1.874 ppm2 5.199 CV 1 ASSI { 521} (( segid "ATXH" and resid 34 and name HB3 )) (( segid "ATXH" and resid 48 and name HB )) 2.700 0.900 0.900 peak 521 spectrum 1 weight 0.10000E+01 volume 0.21720E-02 ppm1 3.879 ppm2 1.648 CV 1 ASSI { 522} (( segid "ATXH" and resid 54 and name HA )) (( segid "ATXH" and resid 31 and name HB2 )) 2.600 2.600 3.400 peak 522 spectrum 1 weight 0.10000E+01 volume 0.21602E-02 ppm1 2.714 ppm2 4.673 CV 1 ASSI { 524} (( segid "ATXH" and resid 8 and name HB )) (( segid "ATXH" and resid 8 and name HA )) 3.000 1.100 1.100 peak 524 spectrum 1 weight 0.10000E+01 volume 0.21483E-02 ppm1 4.860 ppm2 3.855 CV 1 ASSI { 525} (( segid "ATXH" and resid 47 and name HA )) (( segid "ATXH" and resid 47 and name HB )) 2.900 1.100 1.100 peak 525 spectrum 1 weight 0.10000E+01 volume 0.21483E-02 ppm1 1.886 ppm2 5.063 CV 1 ASSI { 527} (( segid "ATXH" and resid 42 and name HA )) (( segid "ATXH" and resid 42 and name HG2 )) 3.100 1.200 1.200 peak 527 spectrum 1 weight 0.10000E+01 volume 0.21246E-02 ppm1 2.169 ppm2 4.232 CV 1 ASSI { 528} (( segid "ATXH" and resid 28 and name HA )) ( segid "ATXH" and resid 36 and name HG1%) 3.000 1.200 1.200 peak 528 spectrum 1 weight 0.10000E+01 volume 0.21246E-02 ppm1 0.785 ppm2 3.759 CV 1 ASSI { 532} (( segid "ATXH" and resid 40 and name HA )) ( segid "ATXH" and resid 40 and name HD1%) 3.100 1.200 1.200 peak 532 spectrum 1 weight 0.10000E+01 volume 0.21008E-02 ppm1 0.824 ppm2 3.816 CV 1 ASSI { 533} (( segid "ATXH" and resid 30 and name HB3 )) (( segid "ATXH" and resid 30 and name HG )) 3.000 1.100 1.100 peak 533 spectrum 1 weight 0.10000E+01 volume 0.20770E-02 ppm1 1.852 ppm2 1.313 CV 1 ASSI { 534} (( segid "ATXH" and resid 69 and name HB3 )) (( segid "ATXH" and resid 69 and name HA )) 3.000 1.100 1.100 peak 534 spectrum 1 weight 0.10000E+01 volume 0.20770E-02 ppm1 4.944 ppm2 2.456 CV 1 ASSI { 535} (( segid "ATXH" and resid 68 and name HA )) (( segid "ATXH" and resid 64 and name HB3 )) 3.400 3.400 2.600 peak 535 spectrum 1 weight 0.10000E+01 volume 0.20770E-02 ppm1 1.988 ppm2 4.657 CV 1 ASSI { 536} (( segid "ATXH" and resid 58 and name HB3 )) (( segid "ATXH" and resid 54 and name HA )) 3.700 3.700 2.300 peak 536 spectrum 1 weight 0.10000E+01 volume 0.20652E-02 ppm1 4.650 ppm2 2.583 CV 1 ASSI { 538} (( segid "ATXH" and resid 69 and name HA )) (( segid "ATXH" and resid 69 and name HB2 )) 3.100 1.200 1.200 peak 538 spectrum 1 weight 0.10000E+01 volume 0.20652E-02 ppm1 2.601 ppm2 4.938 CV 1 ASSI { 539} (( segid "ATXH" and resid 33 and name HB )) (( segid "ATXH" and resid 33 and name HA )) 3.000 1.100 1.100 peak 539 spectrum 1 weight 0.10000E+01 volume 0.20414E-02 ppm1 4.075 ppm2 2.268 CV 1 ASSI { 540} (( segid "ATXH" and resid 62 and name HA )) (( segid "ATXH" and resid 65 and name HB3 )) 2.900 1.000 1.000 peak 540 spectrum 1 weight 0.10000E+01 volume 0.20177E-02 ppm1 2.664 ppm2 3.868 CV 1 ASSI { 543} ( segid "ATXH" and resid 20 and name HG1%) (( segid "ATXH" and resid 20 and name HA )) 3.000 1.100 1.100 peak 543 spectrum 1 weight 0.10000E+01 volume 0.20177E-02 ppm1 3.530 ppm2 1.075 CV 1 ASSI { 545} (( segid "ATXH" and resid 50 and name HB2 )) (( segid "ATXH" and resid 53 and name HB )) 3.700 1.700 1.700 peak 545 spectrum 1 weight 0.10000E+01 volume 0.19940E-02 ppm1 1.998 ppm2 2.946 CV 1 ASSI { 547} (( segid "ATXH" and resid 64 and name HA )) (( segid "ATXH" and resid 64 and name HB2 )) 3.100 1.200 1.200 peak 547 spectrum 1 weight 0.10000E+01 volume 0.19821E-02 ppm1 2.105 ppm2 4.569 CV 1 ASSI { 549} (( segid "ATXH" and resid 4 and name HB3 )) (( segid "ATXH" and resid 4 and name HA )) 2.800 1.000 1.000 peak 549 spectrum 1 weight 0.10000E+01 volume 0.19703E-02 ppm1 5.173 ppm2 1.790 CV 1 ASSI { 550} ( segid "ATXH" and resid 23 and name HD1%) ( segid "ATXH" and resid 23 and name HG2%) 2.800 1.000 1.000 peak 550 spectrum 1 weight 0.10000E+01 volume 0.19703E-02 ppm1 0.564 ppm2 0.148 CV 1 ASSI { 552} (( segid "ATXH" and resid 23 and name HG12)) ( segid "ATXH" and resid 63 and name HD1%) 3.200 1.300 1.300 peak 552 spectrum 1 weight 0.10000E+01 volume 0.19584E-02 ppm1 0.565 ppm2 1.573 CV 1 OR { 552} (( segid "ATXH" and resid 23 and name HG13)) ( segid "ATXH" and resid 63 and name HD1%) ASSI { 553} ( segid "ATXH" and resid 68 and name HE% ) (( segid "ATXH" and resid 68 and name HA )) 2.600 2.600 3.400 peak 553 spectrum 1 weight 0.10000E+01 volume 0.19465E-02 ppm1 4.634 ppm2 6.872 CV 1 ASSI { 555} (( segid "ATXH" and resid 69 and name HB2 )) (( segid "ATXH" and resid 12 and name HB2 )) 3.000 3.000 3.000 peak 555 spectrum 1 weight 0.10000E+01 volume 0.19465E-02 ppm1 2.138 ppm2 2.599 CV 1 ASSI { 556} (( segid "ATXH" and resid 23 and name HG13)) ( segid "ATXH" and resid 23 and name HD1%) 2.800 1.000 1.000 peak 556 spectrum 1 weight 0.10000E+01 volume 0.19346E-02 ppm1 0.146 ppm2 1.589 CV 1 OR { 556} (( segid "ATXH" and resid 23 and name HG12)) ( segid "ATXH" and resid 23 and name HD1%) ASSI { 558} (( segid "ATXH" and resid 4 and name HG3 )) ( segid "ATXH" and resid 4 and name HE% ) 3.000 1.200 1.200 peak 558 spectrum 1 weight 0.10000E+01 volume 0.19227E-02 ppm1 1.915 ppm2 2.456 CV 1 ASSI { 559} (( segid "ATXH" and resid 34 and name HG2 )) ( segid "ATXH" and resid 4 and name HE% ) 2.900 1.100 1.100 peak 559 spectrum 1 weight 0.10000E+01 volume 0.19109E-02 ppm1 1.915 ppm2 2.198 CV 1 ASSI { 560} ( segid "ATXH" and resid 49 and name HD1%) (( segid "ATXH" and resid 5 and name HB2 )) 3.000 1.100 1.100 peak 560 spectrum 1 weight 0.10000E+01 volume 0.19109E-02 ppm1 1.985 ppm2 0.656 CV 1 ASSI { 564} (( segid "ATXH" and resid 39 and name HA )) (( segid "ATXH" and resid 37 and name HB3 )) 3.000 3.000 3.000 peak 564 spectrum 1 weight 0.10000E+01 volume 0.18871E-02 ppm1 1.589 ppm2 4.762 CV 1 ASSI { 565} (( segid "ATXH" and resid 9 and name HA )) (( segid "ATXH" and resid 9 and name HB2 )) 3.100 1.200 1.200 peak 565 spectrum 1 weight 0.10000E+01 volume 0.18753E-02 ppm1 1.567 ppm2 4.818 CV 1 ASSI { 567} (( segid "ATXH" and resid 35 and name HB2 )) (( segid "ATXH" and resid 48 and name HB )) 3.000 1.200 1.200 peak 567 spectrum 1 weight 0.10000E+01 volume 0.18634E-02 ppm1 3.885 ppm2 2.256 CV 1 OR { 567} (( segid "ATXH" and resid 35 and name HG2 )) (( segid "ATXH" and resid 48 and name HB )) ASSI { 568} (( segid "ATXH" and resid 40 and name HA )) ( segid "ATXH" and resid 40 and name HD2%) 3.000 1.100 1.100 peak 568 spectrum 1 weight 0.10000E+01 volume 0.18634E-02 ppm1 0.782 ppm2 3.813 CV 1 ASSI { 569} (( segid "ATXH" and resid 4 and name HA )) (( segid "ATXH" and resid 4 and name HG2 )) 3.100 1.200 1.200 peak 569 spectrum 1 weight 0.10000E+01 volume 0.18634E-02 ppm1 2.637 ppm2 5.182 CV 1 ASSI { 571} (( segid "ATXH" and resid 49 and name HG13)) (( segid "ATXH" and resid 5 and name HB3 )) 3.400 1.500 1.500 peak 571 spectrum 1 weight 0.10000E+01 volume 0.18397E-02 ppm1 1.829 ppm2 1.427 CV 1 ASSI { 573} (( segid "ATXH" and resid 23 and name HG12)) (( segid "ATXH" and resid 63 and name HG13)) 3.900 1.900 1.900 peak 573 spectrum 1 weight 0.10000E+01 volume 0.18278E-02 ppm1 0.572 ppm2 1.592 CV 1 OR { 573} (( segid "ATXH" and resid 23 and name HG13)) (( segid "ATXH" and resid 63 and name HG13)) ASSI { 576} ( segid "ATXH" and resid 8 and name HG2%) (( segid "ATXH" and resid 44 and name HA )) 3.500 1.600 1.600 peak 576 spectrum 1 weight 0.10000E+01 volume 0.18160E-02 ppm1 5.495 ppm2 1.073 CV 1 ASSI { 579} ( segid "ATXH" and resid 11 and name HG1%) (( segid "ATXH" and resid 68 and name HB3 )) 3.000 1.100 1.100 peak 579 spectrum 1 weight 0.10000E+01 volume 0.18041E-02 ppm1 2.292 ppm2 0.655 CV 1 OR { 579} ( segid "ATXH" and resid 11 and name HG2%) (( segid "ATXH" and resid 68 and name HB3 )) ASSI { 583} (( segid "ATXH" and resid 69 and name HB3 )) (( segid "ATXH" and resid 12 and name HB2 )) 3.100 1.200 1.200 peak 583 spectrum 1 weight 0.10000E+01 volume 0.17803E-02 ppm1 2.132 ppm2 2.453 CV 1 ASSI { 585} (( segid "ATXH" and resid 32 and name HA1 )) (( segid "ATXH" and resid 50 and name HB2 )) 3.200 1.200 1.200 peak 585 spectrum 1 weight 0.10000E+01 volume 0.17803E-02 ppm1 2.946 ppm2 3.673 CV 1 ASSI { 589} (( segid "ATXH" and resid 33 and name HB )) ( segid "ATXH" and resid 49 and name HG2%) 3.900 1.900 1.900 peak 589 spectrum 1 weight 0.10000E+01 volume 0.17685E-02 ppm1 0.728 ppm2 2.250 CV 1 ASSI { 591} (( segid "ATXH" and resid 7 and name HB3 )) ( segid "ATXH" and resid 9 and name HD2%) 2.900 2.900 3.100 peak 591 spectrum 1 weight 0.10000E+01 volume 0.17566E-02 ppm1 0.704 ppm2 1.389 CV 1 ASSI { 592} (( segid "ATXH" and resid 49 and name HG13)) (( segid "ATXH" and resid 5 and name HB2 )) 2.700 0.900 0.900 peak 592 spectrum 1 weight 0.10000E+01 volume 0.17566E-02 ppm1 1.987 ppm2 1.432 CV 1 ASSI { 594} (( segid "ATXH" and resid 34 and name HA )) (( segid "ATXH" and resid 34 and name HG3 )) 3.200 1.300 1.300 peak 594 spectrum 1 weight 0.10000E+01 volume 0.17447E-02 ppm1 2.090 ppm2 4.403 CV 1 ASSI { 596} ( segid "ATXH" and resid 48 and name HG2%) (( segid "ATXH" and resid 6 and name HG2 )) 3.200 1.200 1.200 peak 596 spectrum 1 weight 0.10000E+01 volume 0.17329E-02 ppm1 2.196 ppm2 1.100 CV 1 ASSI { 597} ( segid "ATXH" and resid 49 and name HD1%) (( segid "ATXH" and resid 5 and name HB3 )) 3.500 1.500 1.500 peak 597 spectrum 1 weight 0.10000E+01 volume 0.17329E-02 ppm1 1.824 ppm2 0.654 CV 1 ASSI { 598} (( segid "ATXH" and resid 58 and name HA )) ( segid "ATXH" and resid 62 and name HG2%) 3.100 1.200 1.200 peak 598 spectrum 1 weight 0.10000E+01 volume 0.17210E-02 ppm1 0.923 ppm2 4.299 CV 1 ASSI { 602} (( segid "ATXH" and resid 50 and name HB2 )) ( segid "ATXH" and resid 53 and name HG2%) 3.700 1.700 1.700 peak 602 spectrum 1 weight 0.10000E+01 volume 0.16973E-02 ppm1 0.821 ppm2 2.945 CV 1 OR { 602} (( segid "ATXH" and resid 50 and name HB2 )) ( segid "ATXH" and resid 53 and name HG1%) ASSI { 604} ( segid "ATXH" and resid 9 and name HD2%) (( segid "ATXH" and resid 9 and name HA )) 3.500 1.500 1.500 peak 604 spectrum 1 weight 0.10000E+01 volume 0.16854E-02 ppm1 4.858 ppm2 0.692 CV 1 ASSI { 606} (( segid "ATXH" and resid 62 and name HB )) (( segid "ATXH" and resid 59 and name HA )) 3.000 1.100 1.100 peak 606 spectrum 1 weight 0.10000E+01 volume 0.16735E-02 ppm1 3.501 ppm2 2.199 CV 1 ASSI { 607} (( segid "ATXH" and resid 64 and name HA )) (( segid "ATXH" and resid 64 and name HG2 )) 3.000 1.100 1.100 peak 607 spectrum 1 weight 0.10000E+01 volume 0.16735E-02 ppm1 2.656 ppm2 4.564 CV 1 ASSI { 608} (( segid "ATXH" and resid 27 and name HA )) ( segid "ATXH" and resid 30 and name HD1%) 3.400 1.400 1.400 peak 608 spectrum 1 weight 0.10000E+01 volume 0.16735E-02 ppm1 0.878 ppm2 3.703 CV 1 ASSI { 609} (( segid "ATXH" and resid 45 and name HB )) (( segid "ATXH" and resid 45 and name HA )) 3.100 1.200 1.200 peak 609 spectrum 1 weight 0.10000E+01 volume 0.16617E-02 ppm1 4.460 ppm2 1.733 CV 1 ASSI { 612} (( segid "ATXH" and resid 40 and name HB2 )) (( segid "ATXH" and resid 40 and name HA )) 3.000 1.100 1.100 peak 612 spectrum 1 weight 0.10000E+01 volume 0.16617E-02 ppm1 3.811 ppm2 1.595 CV 1 OR { 612} (( segid "ATXH" and resid 40 and name HG )) (( segid "ATXH" and resid 40 and name HA )) ASSI { 614} (( segid "ATXH" and resid 19 and name HA )) ( segid "ATXH" and resid 22 and name HB% ) 3.000 1.100 1.100 peak 614 spectrum 1 weight 0.10000E+01 volume 0.16498E-02 ppm1 1.610 ppm2 4.086 CV 1 ASSI { 619} (( segid "ATXH" and resid 59 and name HA )) ( segid "ATXH" and resid 59 and name HD1%) 3.100 1.200 1.200 peak 619 spectrum 1 weight 0.10000E+01 volume 0.16260E-02 ppm1 0.691 ppm2 3.499 CV 1 ASSI { 622} (( segid "ATXH" and resid 59 and name HA )) ( segid "ATXH" and resid 30 and name HD1%) 3.100 1.200 1.200 peak 622 spectrum 1 weight 0.10000E+01 volume 0.16023E-02 ppm1 0.878 ppm2 3.499 CV 1 ASSI { 623} ( segid "ATXH" and resid 11 and name HG1%) (( segid "ATXH" and resid 14 and name HB3 )) 3.700 1.700 1.700 peak 623 spectrum 1 weight 0.10000E+01 volume 0.15904E-02 ppm1 1.436 ppm2 0.625 CV 1 ASSI { 625} ( segid "ATXH" and resid 23 and name HD1%) (( segid "ATXH" and resid 23 and name HB )) 3.000 1.100 1.100 peak 625 spectrum 1 weight 0.10000E+01 volume 0.15904E-02 ppm1 1.734 ppm2 0.152 CV 1 ASSI { 626} (( segid "ATXH" and resid 29 and name HB2 )) (( segid "ATXH" and resid 26 and name HA )) 3.200 1.200 1.200 peak 626 spectrum 1 weight 0.10000E+01 volume 0.15667E-02 ppm1 4.152 ppm2 2.023 CV 1 OR { 626} (( segid "ATXH" and resid 29 and name HB3 )) (( segid "ATXH" and resid 26 and name HA )) ASSI { 628} (( segid "ATXH" and resid 50 and name HB2 )) (( segid "ATXH" and resid 32 and name HA2 )) 3.600 1.600 1.600 peak 628 spectrum 1 weight 0.10000E+01 volume 0.15667E-02 ppm1 4.225 ppm2 2.944 CV 1 ASSI { 630} (( segid "ATXH" and resid 42 and name HA )) ( segid "ATXH" and resid 41 and name HB% ) 3.300 1.400 1.400 peak 630 spectrum 1 weight 0.10000E+01 volume 0.15667E-02 ppm1 1.388 ppm2 4.224 CV 1 ASSI { 633} ( segid "ATXH" and resid 45 and name HG2%) (( segid "ATXH" and resid 38 and name HA )) 3.000 1.100 1.100 peak 633 spectrum 1 weight 0.10000E+01 volume 0.15549E-02 ppm1 4.302 ppm2 0.590 CV 1 ASSI { 638} (( segid "ATXH" and resid 64 and name HG2 )) ( segid "ATXH" and resid 70 and name HG1%) 3.300 1.400 1.400 peak 638 spectrum 1 weight 0.10000E+01 volume 0.15311E-02 ppm1 0.969 ppm2 2.682 CV 1 ASSI { 642} ( segid "ATXH" and resid 59 and name HD1%) (( segid "ATXH" and resid 59 and name HG13)) 3.000 1.100 1.100 peak 642 spectrum 1 weight 0.10000E+01 volume 0.15192E-02 ppm1 1.120 ppm2 0.695 CV 1 OR { 642} ( segid "ATXH" and resid 59 and name HG2%) (( segid "ATXH" and resid 59 and name HG13)) ASSI { 643} (( segid "ATXH" and resid 62 and name HB )) ( segid "ATXH" and resid 30 and name HD1%) 3.200 1.300 1.300 peak 643 spectrum 1 weight 0.10000E+01 volume 0.15192E-02 ppm1 0.879 ppm2 2.200 CV 1 ASSI { 644} (( segid "ATXH" and resid 66 and name HA )) (( segid "ATXH" and resid 66 and name HG3 )) 3.300 1.300 1.300 peak 644 spectrum 1 weight 0.10000E+01 volume 0.15074E-02 ppm1 2.481 ppm2 4.261 CV 1 OR { 644} (( segid "ATXH" and resid 66 and name HA )) (( segid "ATXH" and resid 66 and name HG2 )) ASSI { 645} (( segid "ATXH" and resid 14 and name HB2 )) ( segid "ATXH" and resid 14 and name HE% ) 3.500 1.500 1.500 peak 645 spectrum 1 weight 0.10000E+01 volume 0.15074E-02 ppm1 1.779 ppm2 2.318 CV 1 ASSI { 646} (( segid "ATXH" and resid 63 and name HA )) (( segid "ATXH" and resid 63 and name HG13)) 3.200 1.300 1.300 peak 646 spectrum 1 weight 0.10000E+01 volume 0.14955E-02 ppm1 0.569 ppm2 3.455 CV 1 ASSI { 650} (( segid "ATXH" and resid 50 and name HB3 )) (( segid "ATXH" and resid 32 and name HA1 )) 3.000 1.100 1.100 peak 650 spectrum 1 weight 0.10000E+01 volume 0.14836E-02 ppm1 3.676 ppm2 2.445 CV 1 ASSI { 651} (( segid "ATXH" and resid 15 and name HB2 )) (( segid "ATXH" and resid 15 and name HA )) 3.300 1.400 1.400 peak 651 spectrum 1 weight 0.10000E+01 volume 0.14717E-02 ppm1 4.718 ppm2 3.924 CV 1 ASSI { 652} (( segid "ATXH" and resid 15 and name HB3 )) (( segid "ATXH" and resid 15 and name HA )) 3.100 1.200 1.200 peak 652 spectrum 1 weight 0.10000E+01 volume 0.14717E-02 ppm1 4.721 ppm2 3.788 CV 1 ASSI { 658} (( segid "ATXH" and resid 63 and name HG12)) (( segid "ATXH" and resid 63 and name HA )) 3.000 1.100 1.100 peak 658 spectrum 1 weight 0.10000E+01 volume 0.14361E-02 ppm1 3.475 ppm2 0.910 CV 1 ASSI { 659} (( segid "ATXH" and resid 49 and name HG13)) ( segid "ATXH" and resid 49 and name HG2%) 3.600 1.600 1.600 peak 659 spectrum 1 weight 0.10000E+01 volume 0.14243E-02 ppm1 0.726 ppm2 1.430 CV 1 ASSI { 660} (( segid "ATXH" and resid 27 and name HA )) (( segid "ATXH" and resid 30 and name HG )) 3.100 1.200 1.200 peak 660 spectrum 1 weight 0.10000E+01 volume 0.14243E-02 ppm1 1.870 ppm2 3.704 CV 1 ASSI { 663} (( segid "ATXH" and resid 27 and name HB )) (( segid "ATXH" and resid 27 and name HA )) 3.200 1.300 1.300 peak 663 spectrum 1 weight 0.10000E+01 volume 0.14006E-02 ppm1 3.703 ppm2 2.045 CV 1 ASSI { 665} (( segid "ATXH" and resid 10 and name HA )) (( segid "ATXH" and resid 10 and name HB2 )) 3.100 1.200 1.200 peak 665 spectrum 1 weight 0.10000E+01 volume 0.14006E-02 ppm1 2.091 ppm2 4.683 CV 1 ASSI { 668} (( segid "ATXH" and resid 57 and name HA )) (( segid "ATXH" and resid 57 and name HB3 )) 3.300 1.400 1.400 peak 668 spectrum 1 weight 0.10000E+01 volume 0.13887E-02 ppm1 1.719 ppm2 3.839 CV 1 ASSI { 669} (( segid "ATXH" and resid 59 and name HA )) ( segid "ATXH" and resid 62 and name HG2%) 3.200 1.300 1.300 peak 669 spectrum 1 weight 0.10000E+01 volume 0.13887E-02 ppm1 0.893 ppm2 3.504 CV 1 ASSI { 670} (( segid "ATXH" and resid 64 and name HA )) (( segid "ATXH" and resid 64 and name HG3 )) 3.400 1.400 1.400 peak 670 spectrum 1 weight 0.10000E+01 volume 0.13768E-02 ppm1 2.450 ppm2 4.563 CV 1 ASSI { 671} (( segid "ATXH" and resid 71 and name HB3 )) (( segid "ATXH" and resid 71 and name HA )) 3.200 1.300 1.300 peak 671 spectrum 1 weight 0.10000E+01 volume 0.13768E-02 ppm1 4.512 ppm2 1.983 CV 1 ASSI { 672} (( segid "ATXH" and resid 40 and name HG )) ( segid "ATXH" and resid 40 and name HD1%) 3.200 1.300 1.300 peak 672 spectrum 1 weight 0.10000E+01 volume 0.13768E-02 ppm1 0.822 ppm2 1.594 CV 1 OR { 672} (( segid "ATXH" and resid 40 and name HB2 )) ( segid "ATXH" and resid 40 and name HD1%) ASSI { 675} (( segid "ATXH" and resid 57 and name HA )) (( segid "ATXH" and resid 57 and name HD3 )) 3.200 1.300 1.300 peak 675 spectrum 1 weight 0.10000E+01 volume 0.13768E-02 ppm1 1.620 ppm2 3.836 CV 1 OR { 675} (( segid "ATXH" and resid 57 and name HA )) (( segid "ATXH" and resid 57 and name HD2 )) ASSI { 677} ( segid "ATXH" and resid 60 and name HG1%) (( segid "ATXH" and resid 56 and name HB3 )) 3.500 1.500 1.500 peak 677 spectrum 1 weight 0.10000E+01 volume 0.13649E-02 ppm1 1.611 ppm2 0.968 CV 1 ASSI { 678} (( segid "ATXH" and resid 48 and name HB )) (( segid "ATXH" and resid 35 and name HG2 )) 3.300 1.400 1.400 peak 678 spectrum 1 weight 0.10000E+01 volume 0.13649E-02 ppm1 2.264 ppm2 3.877 CV 1 ASSI { 680} (( segid "ATXH" and resid 68 and name HA )) (( segid "ATXH" and resid 64 and name HG3 )) 3.800 1.800 1.800 peak 680 spectrum 1 weight 0.10000E+01 volume 0.13531E-02 ppm1 2.479 ppm2 4.678 CV 1 ASSI { 681} (( segid "ATXH" and resid 46 and name HA )) (( segid "ATXH" and resid 46 and name HB3 )) 3.100 1.200 1.200 peak 681 spectrum 1 weight 0.10000E+01 volume 0.13412E-02 ppm1 1.898 ppm2 5.258 CV 1 ASSI { 685} (( segid "ATXH" and resid 40 and name HG )) ( segid "ATXH" and resid 40 and name HD2%) 3.100 3.100 2.900 peak 685 spectrum 1 weight 0.10000E+01 volume 0.13293E-02 ppm1 0.783 ppm2 1.590 CV 1 OR { 685} (( segid "ATXH" and resid 40 and name HG )) ( segid "ATXH" and resid 40 and name HD1%) OR { 685} (( segid "ATXH" and resid 40 and name HB2 )) ( segid "ATXH" and resid 40 and name HD2%) ASSI { 687} ( segid "ATXH" and resid 11 and name HG1%) (( segid "ATXH" and resid 68 and name HB2 )) 3.500 1.500 1.500 peak 687 spectrum 1 weight 0.10000E+01 volume 0.13174E-02 ppm1 2.994 ppm2 0.649 CV 1 OR { 687} ( segid "ATXH" and resid 11 and name HG2%) (( segid "ATXH" and resid 68 and name HB2 )) ASSI { 689} (( segid "ATXH" and resid 6 and name HA )) (( segid "ATXH" and resid 6 and name HB2 )) 3.200 1.300 1.300 peak 689 spectrum 1 weight 0.10000E+01 volume 0.13174E-02 ppm1 1.996 ppm2 5.200 CV 1 ASSI { 691} ( segid "ATXH" and resid 49 and name HG2%) (( segid "ATXH" and resid 48 and name HA )) 3.400 1.500 1.500 peak 691 spectrum 1 weight 0.10000E+01 volume 0.13056E-02 ppm1 5.232 ppm2 0.723 CV 1 ASSI { 692} ( segid "ATXH" and resid 48 and name HG2%) (( segid "ATXH" and resid 4 and name HG2 )) 2.800 1.000 1.000 peak 692 spectrum 1 weight 0.10000E+01 volume 0.13056E-02 ppm1 2.639 ppm2 1.103 CV 1 ASSI { 693} (( segid "ATXH" and resid 56 and name HA )) ( segid "ATXH" and resid 56 and name HD1%) 3.400 1.400 1.400 peak 693 spectrum 1 weight 0.10000E+01 volume 0.12818E-02 ppm1 0.876 ppm2 3.863 CV 1 ASSI { 698} (( segid "ATXH" and resid 53 and name HB )) (( segid "ATXH" and resid 50 and name HB3 )) 2.900 1.000 1.000 peak 698 spectrum 1 weight 0.10000E+01 volume 0.12344E-02 ppm1 2.464 ppm2 1.983 CV 1 ASSI { 699} (( segid "ATXH" and resid 47 and name HA )) ( segid "ATXH" and resid 47 and name HG2%) 3.100 1.200 1.200 peak 699 spectrum 1 weight 0.10000E+01 volume 0.12344E-02 ppm1 0.802 ppm2 5.049 CV 1 ASSI { 700} ( segid "ATXH" and resid 68 and name HE% ) (( segid "ATXH" and resid 68 and name HB3 )) 3.800 1.800 1.800 peak 700 spectrum 1 weight 0.10000E+01 volume 0.12344E-02 ppm1 2.265 ppm2 6.868 CV 1 ASSI { 701} (( segid "ATXH" and resid 23 and name HG12)) (( segid "ATXH" and resid 23 and name HA )) 3.100 1.200 1.200 peak 701 spectrum 1 weight 0.10000E+01 volume 0.12225E-02 ppm1 3.386 ppm2 1.631 CV 1 OR { 701} (( segid "ATXH" and resid 23 and name HG13)) (( segid "ATXH" and resid 23 and name HA )) ASSI { 703} ( segid "ATXH" and resid 48 and name HG2%) (( segid "ATXH" and resid 4 and name HB3 )) 3.000 1.100 1.100 peak 703 spectrum 1 weight 0.10000E+01 volume 0.12106E-02 ppm1 1.794 ppm2 1.105 CV 1 ASSI { 705} (( segid "ATXH" and resid 25 and name HB2 )) (( segid "ATXH" and resid 25 and name HA )) 3.300 1.400 1.400 peak 705 spectrum 1 weight 0.10000E+01 volume 0.11988E-02 ppm1 4.047 ppm2 3.922 CV 1 ASSI { 706} ( segid "ATXH" and resid 63 and name HG2%) (( segid "ATXH" and resid 68 and name HB2 )) 3.000 1.100 1.100 peak 706 spectrum 1 weight 0.10000E+01 volume 0.11988E-02 ppm1 2.994 ppm2 0.762 CV 1 ASSI { 707} (( segid "ATXH" and resid 28 and name HE2 )) (( segid "ATXH" and resid 28 and name HG2 )) 3.300 1.400 1.400 peak 707 spectrum 1 weight 0.10000E+01 volume 0.11988E-02 ppm1 1.468 ppm2 2.928 CV 1 ASSI { 711} ( segid "ATXH" and resid 60 and name HG1%) (( segid "ATXH" and resid 56 and name HB2 )) 3.600 1.600 1.600 peak 711 spectrum 1 weight 0.10000E+01 volume 0.11596E-02 ppm1 1.749 ppm2 0.966 CV 1 ASSI { 712} (( segid "ATXH" and resid 56 and name HA )) ( segid "ATXH" and resid 59 and name HD1%) 3.500 1.500 1.500 peak 712 spectrum 1 weight 0.10000E+01 volume 0.11465E-02 ppm1 0.692 ppm2 3.870 CV 1 ASSI { 714} (( segid "ATXH" and resid 56 and name HA )) ( segid "ATXH" and resid 7 and name HD1%) 3.300 1.400 1.400 peak 714 spectrum 1 weight 0.10000E+01 volume 0.11346E-02 ppm1 0.786 ppm2 3.870 CV 1 ASSI { 717} (( segid "ATXH" and resid 20 and name HA )) (( segid "ATXH" and resid 20 and name HB )) 3.200 1.300 1.300 peak 717 spectrum 1 weight 0.10000E+01 volume 0.11275E-02 ppm1 2.103 ppm2 3.526 CV 1 ASSI { 718} ( segid "ATXH" and resid 23 and name HD1%) (( segid "ATXH" and resid 63 and name HG13)) 4.300 2.300 1.700 peak 718 spectrum 1 weight 0.10000E+01 volume 0.11263E-02 ppm1 0.572 ppm2 0.148 CV 1 ASSI { 721} ( segid "ATXH" and resid 49 and name HD1%) (( segid "ATXH" and resid 50 and name HA )) 3.700 1.700 1.700 peak 721 spectrum 1 weight 0.10000E+01 volume 0.11109E-02 ppm1 5.021 ppm2 0.710 CV 1 OR { 721} ( segid "ATXH" and resid 49 and name HG2%) (( segid "ATXH" and resid 50 and name HA )) ASSI { 722} (( segid "ATXH" and resid 50 and name HA )) ( segid "ATXH" and resid 4 and name HE% ) 3.400 1.500 1.500 peak 722 spectrum 1 weight 0.10000E+01 volume 0.11014E-02 ppm1 1.915 ppm2 5.022 CV 1 ASSI { 724} (( segid "ATXH" and resid 60 and name HA )) ( segid "ATXH" and resid 63 and name HD1%) 3.100 1.200 1.200 peak 724 spectrum 1 weight 0.10000E+01 volume 0.10943E-02 ppm1 0.563 ppm2 3.251 CV 1 ASSI { 725} ( segid "ATXH" and resid 49 and name HD1%) (( segid "ATXH" and resid 55 and name HA )) 3.300 1.300 1.300 peak 725 spectrum 1 weight 0.10000E+01 volume 0.10931E-02 ppm1 4.812 ppm2 0.661 CV 1 ASSI { 727} (( segid "ATXH" and resid 27 and name HA )) ( segid "ATXH" and resid 27 and name HG1%) 3.200 1.300 1.300 peak 727 spectrum 1 weight 0.10000E+01 volume 0.10860E-02 ppm1 0.924 ppm2 3.683 CV 1 ASSI { 731} (( segid "ATXH" and resid 10 and name HA )) (( segid "ATXH" and resid 44 and name HB )) 3.500 1.500 1.500 peak 731 spectrum 1 weight 0.10000E+01 volume 0.10718E-02 ppm1 3.958 ppm2 4.692 CV 1 ASSI { 732} (( segid "ATXH" and resid 40 and name HA )) ( segid "ATXH" and resid 14 and name HE% ) 3.200 1.300 1.300 peak 732 spectrum 1 weight 0.10000E+01 volume 0.10682E-02 ppm1 1.772 ppm2 3.747 CV 1 ASSI { 733} (( segid "ATXH" and resid 28 and name HE2 )) (( segid "ATXH" and resid 28 and name HB2 )) 3.500 1.500 1.500 peak 733 spectrum 1 weight 0.10000E+01 volume 0.10646E-02 ppm1 1.848 ppm2 2.925 CV 1 OR { 733} (( segid "ATXH" and resid 28 and name HE2 )) (( segid "ATXH" and resid 28 and name HB3 )) ASSI { 734} (( segid "ATXH" and resid 5 and name HG2 )) (( segid "ATXH" and resid 51 and name HB3 )) 3.400 1.400 1.400 peak 734 spectrum 1 weight 0.10000E+01 volume 0.10635E-02 ppm1 3.801 ppm2 2.187 CV 1 ASSI { 737} ( segid "ATXH" and resid 11 and name HG1%) (( segid "ATXH" and resid 14 and name HB2 )) 3.900 1.900 1.900 peak 737 spectrum 1 weight 0.10000E+01 volume 0.10469E-02 ppm1 2.317 ppm2 0.624 CV 1 ASSI { 739} (( segid "ATXH" and resid 34 and name HA )) (( segid "ATXH" and resid 34 and name HG2 )) 3.700 1.700 1.700 peak 739 spectrum 1 weight 0.10000E+01 volume 0.10433E-02 ppm1 2.195 ppm2 4.394 CV 1 ASSI { 740} (( segid "ATXH" and resid 48 and name HB )) (( segid "ATXH" and resid 34 and name HG2 )) 3.600 1.600 1.600 peak 740 spectrum 1 weight 0.10000E+01 volume 0.10373E-02 ppm1 2.197 ppm2 3.873 CV 1 ASSI { 746} (( segid "ATXH" and resid 31 and name HB3 )) ( segid "ATXH" and resid 53 and name HG1%) 3.400 1.500 1.500 peak 746 spectrum 1 weight 0.10000E+01 volume 0.10219E-02 ppm1 0.799 ppm2 2.645 CV 1 OR { 746} (( segid "ATXH" and resid 31 and name HB3 )) ( segid "ATXH" and resid 53 and name HG2%) ASSI { 750} (( segid "ATXH" and resid 57 and name HE3 )) (( segid "ATXH" and resid 57 and name HG3 )) 3.500 1.500 1.500 peak 750 spectrum 1 weight 0.10000E+01 volume 0.10088E-02 ppm1 1.388 ppm2 2.950 CV 1 OR { 750} (( segid "ATXH" and resid 57 and name HE3 )) (( segid "ATXH" and resid 57 and name HG2 )) OR { 750} (( segid "ATXH" and resid 57 and name HE2 )) (( segid "ATXH" and resid 57 and name HG2 )) OR { 750} (( segid "ATXH" and resid 57 and name HE2 )) (( segid "ATXH" and resid 57 and name HG3 )) ASSI { 751} ( segid "ATXH" and resid 54 and name HG2%) (( segid "ATXH" and resid 54 and name HA )) 3.300 1.400 1.400 peak 751 spectrum 1 weight 0.10000E+01 volume 0.10077E-02 ppm1 4.644 ppm2 0.722 CV 1 ASSI { 753} (( segid "ATXH" and resid 46 and name HB3 )) (( segid "ATXH" and resid 37 and name HE3 )) 3.300 1.400 1.400 peak 753 spectrum 1 weight 0.10000E+01 volume 0.99581E-03 ppm1 2.897 ppm2 1.867 CV 1 OR { 753} (( segid "ATXH" and resid 46 and name HB3 )) (( segid "ATXH" and resid 37 and name HE2 )) ASSI { 754} (( segid "ATXH" and resid 58 and name HB3 )) ( segid "ATXH" and resid 30 and name HD2%) 3.500 1.500 1.500 peak 754 spectrum 1 weight 0.10000E+01 volume 0.98986E-03 ppm1 0.833 ppm2 2.599 CV 1 ASSI { 755} (( segid "ATXH" and resid 10 and name HA )) (( segid "ATXH" and resid 10 and name HB3 )) 3.100 1.200 1.200 peak 755 spectrum 1 weight 0.10000E+01 volume 0.97683E-03 ppm1 1.954 ppm2 4.690 CV 1 ASSI { 760} (( segid "ATXH" and resid 66 and name HB3 )) (( segid "ATXH" and resid 66 and name HA )) 3.200 1.300 1.300 peak 760 spectrum 1 weight 0.10000E+01 volume 0.95786E-03 ppm1 4.264 ppm2 2.255 CV 1 ASSI { 762} (( segid "ATXH" and resid 46 and name HA )) (( segid "ATXH" and resid 46 and name HG3 )) 3.400 1.400 1.400 peak 762 spectrum 1 weight 0.10000E+01 volume 0.94118E-03 ppm1 2.108 ppm2 5.257 CV 1 ASSI { 763} (( segid "ATXH" and resid 54 and name HA )) ( segid "ATXH" and resid 55 and name HG2%) 3.800 1.800 1.800 peak 763 spectrum 1 weight 0.10000E+01 volume 0.93645E-03 ppm1 1.180 ppm2 4.639 CV 1 ASSI { 764} (( segid "ATXH" and resid 65 and name HA )) (( segid "ATXH" and resid 64 and name HB2 )) 3.600 1.600 1.600 peak 764 spectrum 1 weight 0.10000E+01 volume 0.93530E-03 ppm1 2.104 ppm2 4.448 CV 1 ASSI { 769} (( segid "ATXH" and resid 59 and name HA )) (( segid "ATXH" and resid 59 and name HG12)) 3.300 1.400 1.400 peak 769 spectrum 1 weight 0.10000E+01 volume 0.92105E-03 ppm1 1.514 ppm2 3.513 CV 1 ASSI { 771} (( segid "ATXH" and resid 31 and name HB3 )) ( segid "ATXH" and resid 53 and name HG1%) 3.500 1.500 1.500 peak 771 spectrum 1 weight 0.10000E+01 volume 0.91748E-03 ppm1 0.842 ppm2 2.681 CV 1 ASSI { 772} (( segid "ATXH" and resid 24 and name HG2 )) (( segid "ATXH" and resid 24 and name HA )) 3.700 1.700 1.700 peak 772 spectrum 1 weight 0.10000E+01 volume 0.91153E-03 ppm1 3.559 ppm2 2.399 CV 1 ASSI { 773} (( segid "ATXH" and resid 8 and name HA )) (( segid "ATXH" and resid 46 and name HG2 )) 3.600 1.600 1.600 peak 773 spectrum 1 weight 0.10000E+01 volume 0.91153E-03 ppm1 2.204 ppm2 4.862 CV 1 ASSI { 777} ( segid "ATXH" and resid 30 and name HD1%) (( segid "ATXH" and resid 58 and name HB2 )) 3.800 1.800 1.800 peak 777 spectrum 1 weight 0.10000E+01 volume 0.89614E-03 ppm1 3.009 ppm2 0.845 CV 1 OR { 777} ( segid "ATXH" and resid 30 and name HD2%) (( segid "ATXH" and resid 58 and name HB2 )) ASSI { 779} ( segid "ATXH" and resid 53 and name HG2%) (( segid "ATXH" and resid 1 and name HA )) 3.000 3.000 3.000 peak 779 spectrum 1 weight 0.10000E+01 volume 0.89256E-03 ppm1 4.534 ppm2 0.857 CV 1 ASSI { 781} (( segid "ATXH" and resid 68 and name HB3 )) (( segid "ATXH" and resid 63 and name HA )) 4.200 2.200 1.800 peak 781 spectrum 1 weight 0.10000E+01 volume 0.88304E-03 ppm1 3.462 ppm2 2.311 CV 1 ASSI { 782} ( segid "ATXH" and resid 8 and name HG2%) (( segid "ATXH" and resid 9 and name HA )) 3.500 1.500 1.500 peak 782 spectrum 1 weight 0.10000E+01 volume 0.88304E-03 ppm1 4.849 ppm2 1.060 CV 1 ASSI { 783} (( segid "ATXH" and resid 23 and name HG12)) (( segid "ATXH" and resid 26 and name HB2 )) 3.800 1.800 1.800 peak 783 spectrum 1 weight 0.10000E+01 volume 0.88189E-03 ppm1 3.907 ppm2 1.584 CV 1 OR { 783} (( segid "ATXH" and resid 23 and name HG13)) (( segid "ATXH" and resid 26 and name HB2 )) ASSI { 785} (( segid "ATXH" and resid 30 and name HA )) (( segid "ATXH" and resid 30 and name HG )) 3.800 1.800 1.800 peak 785 spectrum 1 weight 0.10000E+01 volume 0.87831E-03 ppm1 1.881 ppm2 4.181 CV 1 ASSI { 786} ( segid "ATXH" and resid 8 and name HG2%) (( segid "ATXH" and resid 46 and name HA )) 3.600 1.600 1.600 peak 786 spectrum 1 weight 0.10000E+01 volume 0.87710E-03 ppm1 5.256 ppm2 1.072 CV 1 ASSI { 787} ( segid "ATXH" and resid 9 and name HD1%) (( segid "ATXH" and resid 9 and name HB2 )) 3.300 1.300 1.300 peak 787 spectrum 1 weight 0.10000E+01 volume 0.87473E-03 ppm1 1.566 ppm2 0.628 CV 1 OR { 787} (( segid "ATXH" and resid 9 and name HG )) (( segid "ATXH" and resid 9 and name HB2 )) ASSI { 789} (( segid "ATXH" and resid 49 and name HA )) ( segid "ATXH" and resid 49 and name HD1%) 4.200 2.200 1.800 peak 789 spectrum 1 weight 0.10000E+01 volume 0.86048E-03 ppm1 0.649 ppm2 5.310 CV 1 ASSI { 790} (( segid "ATXH" and resid 58 and name HB3 )) ( segid "ATXH" and resid 30 and name HD1%) 3.300 1.400 1.400 peak 790 spectrum 1 weight 0.10000E+01 volume 0.85812E-03 ppm1 0.879 ppm2 2.598 CV 1 ASSI { 793} (( segid "ATXH" and resid 64 and name HB3 )) (( segid "ATXH" and resid 64 and name HA )) 3.300 1.400 1.400 peak 793 spectrum 1 weight 0.10000E+01 volume 0.84981E-03 ppm1 4.568 ppm2 1.981 CV 1 ASSI { 794} (( segid "ATXH" and resid 49 and name HG13)) (( segid "ATXH" and resid 49 and name HA )) 3.600 1.600 1.600 peak 794 spectrum 1 weight 0.10000E+01 volume 0.84387E-03 ppm1 5.309 ppm2 1.429 CV 1 ASSI { 795} (( segid "ATXH" and resid 26 and name HA )) (( segid "ATXH" and resid 29 and name HG2 )) 3.800 1.800 1.800 peak 795 spectrum 1 weight 0.10000E+01 volume 0.84387E-03 ppm1 2.456 ppm2 4.152 CV 1 ASSI { 798} (( segid "ATXH" and resid 5 and name HB2 )) ( segid "ATXH" and resid 49 and name HD1%) 3.500 1.500 1.500 peak 798 spectrum 1 weight 0.10000E+01 volume 0.83320E-03 ppm1 0.654 ppm2 1.995 CV 1 OR { 798} (( segid "ATXH" and resid 5 and name HG3 )) ( segid "ATXH" and resid 49 and name HD1%) ASSI { 799} (( segid "ATXH" and resid 20 and name HB )) (( segid "ATXH" and resid 21 and name HB2 )) 3.900 1.900 1.900 peak 799 spectrum 1 weight 0.10000E+01 volume 0.82605E-03 ppm1 2.773 ppm2 2.092 CV 1 OR { 799} (( segid "ATXH" and resid 20 and name HB )) (( segid "ATXH" and resid 21 and name HB3 )) ASSI { 801} (( segid "ATXH" and resid 71 and name HB2 )) (( segid "ATXH" and resid 71 and name HA )) 3.500 1.600 1.600 peak 801 spectrum 1 weight 0.10000E+01 volume 0.81774E-03 ppm1 4.514 ppm2 2.125 CV 1 ASSI { 802} (( segid "ATXH" and resid 12 and name HA )) (( segid "ATXH" and resid 12 and name HB2 )) 3.500 1.500 1.500 peak 802 spectrum 1 weight 0.10000E+01 volume 0.81423E-03 ppm1 2.145 ppm2 4.638 CV 1 ASSI { 811} (( segid "ATXH" and resid 52 and name HB2 )) (( segid "ATXH" and resid 1 and name HA )) 3.100 3.100 2.900 peak 811 spectrum 1 weight 0.10000E+01 volume 0.79519E-03 ppm1 4.533 ppm2 4.010 CV 1 ASSI { 815} (( segid "ATXH" and resid 32 and name HA1 )) (( segid "ATXH" and resid 54 and name HB )) 4.700 2.800 1.300 peak 815 spectrum 1 weight 0.10000E+01 volume 0.78215E-03 ppm1 2.377 ppm2 3.678 CV 1 ASSI { 817} (( segid "ATXH" and resid 7 and name HA )) ( segid "ATXH" and resid 7 and name HD1%) 3.800 1.800 1.800 peak 817 spectrum 1 weight 0.10000E+01 volume 0.77506E-03 ppm1 0.788 ppm2 4.839 CV 1 ASSI { 818} ( segid "ATXH" and resid 54 and name HG1%) (( segid "ATXH" and resid 32 and name HA2 )) 3.200 1.300 1.300 peak 818 spectrum 1 weight 0.10000E+01 volume 0.77270E-03 ppm1 4.212 ppm2 1.165 CV 1 ASSI { 819} (( segid "ATXH" and resid 59 and name HA )) ( segid "ATXH" and resid 27 and name HG1%) 4.000 2.000 2.000 peak 819 spectrum 1 weight 0.10000E+01 volume 0.77027E-03 ppm1 0.924 ppm2 3.476 CV 1 ASSI { 820} (( segid "ATXH" and resid 4 and name HG2 )) ( segid "ATXH" and resid 4 and name HE% ) 3.600 1.700 1.700 peak 820 spectrum 1 weight 0.10000E+01 volume 0.76912E-03 ppm1 1.915 ppm2 2.639 CV 1 ASSI { 823} ( segid "ATXH" and resid 53 and name HG2%) (( segid "ATXH" and resid 52 and name HA )) 3.100 1.200 1.200 peak 823 spectrum 1 weight 0.10000E+01 volume 0.76196E-03 ppm1 4.468 ppm2 0.811 CV 1 ASSI { 825} (( segid "ATXH" and resid 51 and name HB3 )) (( segid "ATXH" and resid 5 and name HB3 )) 4.000 2.000 2.000 peak 825 spectrum 1 weight 0.10000E+01 volume 0.75845E-03 ppm1 1.828 ppm2 3.809 CV 1 ASSI { 826} (( segid "ATXH" and resid 59 and name HA )) (( segid "ATXH" and resid 59 and name HG13)) 3.800 1.800 1.800 peak 826 spectrum 1 weight 0.10000E+01 volume 0.74893E-03 ppm1 1.121 ppm2 3.508 CV 1 ASSI { 830} ( segid "ATXH" and resid 61 and name HB% ) (( segid "ATXH" and resid 62 and name HA )) 3.800 1.800 1.800 peak 830 spectrum 1 weight 0.10000E+01 volume 0.74299E-03 ppm1 3.868 ppm2 1.492 CV 1 ASSI { 831} (( segid "ATXH" and resid 32 and name HA2 )) (( segid "ATXH" and resid 50 and name HB3 )) 3.600 1.600 1.600 peak 831 spectrum 1 weight 0.10000E+01 volume 0.74184E-03 ppm1 2.456 ppm2 4.222 CV 1 ASSI { 833} (( segid "ATXH" and resid 63 and name HB )) (( segid "ATXH" and resid 63 and name HA )) 3.500 1.500 1.500 peak 833 spectrum 1 weight 0.10000E+01 volume 0.73705E-03 ppm1 3.484 ppm2 1.792 CV 1 ASSI { 834} (( segid "ATXH" and resid 4 and name HG3 )) ( segid "ATXH" and resid 48 and name HG2%) 3.700 1.700 1.700 peak 834 spectrum 1 weight 0.10000E+01 volume 0.73468E-03 ppm1 1.103 ppm2 2.453 CV 1 ASSI { 835} (( segid "ATXH" and resid 5 and name HG2 )) ( segid "ATXH" and resid 49 and name HD1%) 4.100 2.100 1.900 peak 835 spectrum 1 weight 0.10000E+01 volume 0.72638E-03 ppm1 0.650 ppm2 2.187 CV 1 ASSI { 836} ( segid "ATXH" and resid 11 and name HG1%) (( segid "ATXH" and resid 68 and name HA )) 4.000 2.000 2.000 peak 836 spectrum 1 weight 0.10000E+01 volume 0.71807E-03 ppm1 4.633 ppm2 0.666 CV 1 OR { 836} ( segid "ATXH" and resid 11 and name HG2%) (( segid "ATXH" and resid 68 and name HA )) ASSI { 841} (( segid "ATXH" and resid 33 and name HA )) (( segid "ATXH" and resid 49 and name HB )) 3.700 1.700 1.700 peak 841 spectrum 1 weight 0.10000E+01 volume 0.70855E-03 ppm1 1.551 ppm2 4.074 CV 1 ASSI { 842} ( segid "ATXH" and resid 20 and name HG2%) (( segid "ATXH" and resid 21 and name HB2 )) 4.100 2.100 1.900 peak 842 spectrum 1 weight 0.10000E+01 volume 0.70619E-03 ppm1 2.800 ppm2 0.903 CV 1 OR { 842} ( segid "ATXH" and resid 20 and name HG2%) (( segid "ATXH" and resid 21 and name HB3 )) ASSI { 843} (( segid "ATXH" and resid 11 and name HB )) (( segid "ATXH" and resid 11 and name HA )) 3.500 1.500 1.500 peak 843 spectrum 1 weight 0.10000E+01 volume 0.70146E-03 ppm1 4.761 ppm2 1.794 CV 1 ASSI { 847} (( segid "ATXH" and resid 9 and name HB3 )) (( segid "ATXH" and resid 10 and name HG2 )) 4.200 2.200 1.800 peak 847 spectrum 1 weight 0.10000E+01 volume 0.69315E-03 ppm1 2.265 ppm2 1.228 CV 1 OR { 847} (( segid "ATXH" and resid 9 and name HB3 )) (( segid "ATXH" and resid 10 and name HG3 )) ASSI { 848} (( segid "ATXH" and resid 56 and name HG )) (( segid "ATXH" and resid 55 and name HB )) 3.900 1.900 1.900 peak 848 spectrum 1 weight 0.10000E+01 volume 0.69079E-03 ppm1 4.423 ppm2 0.883 CV 1 OR { 848} ( segid "ATXH" and resid 56 and name HD1%) (( segid "ATXH" and resid 55 and name HB )) ASSI { 851} ( segid "ATXH" and resid 49 and name HD1%) (( segid "ATXH" and resid 55 and name HB )) 3.800 1.800 1.800 peak 851 spectrum 1 weight 0.10000E+01 volume 0.68721E-03 ppm1 4.425 ppm2 0.646 CV 1 ASSI { 853} (( segid "ATXH" and resid 23 and name HB )) (( segid "ATXH" and resid 23 and name HA )) 3.400 1.400 1.400 peak 853 spectrum 1 weight 0.10000E+01 volume 0.68012E-03 ppm1 3.455 ppm2 1.718 CV 1 ASSI { 855} (( segid "ATXH" and resid 30 and name HB3 )) ( segid "ATXH" and resid 30 and name HD2%) 3.900 1.900 1.900 peak 855 spectrum 1 weight 0.10000E+01 volume 0.66229E-03 ppm1 0.833 ppm2 1.318 CV 1 ASSI { 856} (( segid "ATXH" and resid 38 and name HB )) ( segid "ATXH" and resid 38 and name HG2%) 3.500 1.500 1.500 peak 856 spectrum 1 weight 0.10000E+01 volume 0.65873E-03 ppm1 0.828 ppm2 2.043 CV 1 ASSI { 857} (( segid "ATXH" and resid 5 and name HB3 )) (( segid "ATXH" and resid 51 and name HB2 )) 4.400 2.500 1.600 peak 857 spectrum 1 weight 0.10000E+01 volume 0.65754E-03 ppm1 4.196 ppm2 1.827 CV 1 ASSI { 858} (( segid "ATXH" and resid 50 and name HB2 )) ( segid "ATXH" and resid 4 and name HE% ) 3.500 1.500 1.500 peak 858 spectrum 1 weight 0.10000E+01 volume 0.65635E-03 ppm1 1.915 ppm2 2.949 CV 1 ASSI { 859} (( segid "ATXH" and resid 5 and name HG2 )) (( segid "ATXH" and resid 51 and name HB2 )) 4.400 2.400 1.600 peak 859 spectrum 1 weight 0.10000E+01 volume 0.64805E-03 ppm1 4.199 ppm2 2.188 CV 1 ASSI { 860} (( segid "ATXH" and resid 49 and name HB )) (( segid "ATXH" and resid 51 and name HB3 )) 3.900 1.900 1.900 peak 860 spectrum 1 weight 0.10000E+01 volume 0.64686E-03 ppm1 3.800 ppm2 1.556 CV 1 ASSI { 865} (( segid "ATXH" and resid 37 and name HA )) (( segid "ATXH" and resid 37 and name HD2 )) 4.300 2.300 1.700 peak 865 spectrum 1 weight 0.10000E+01 volume 0.62787E-03 ppm1 1.632 ppm2 4.714 CV 1 OR { 865} (( segid "ATXH" and resid 37 and name HA )) (( segid "ATXH" and resid 37 and name HD3 )) ASSI { 867} (( segid "ATXH" and resid 46 and name HB2 )) (( segid "ATXH" and resid 8 and name HA )) 4.200 2.200 1.800 peak 867 spectrum 1 weight 0.10000E+01 volume 0.62668E-03 ppm1 4.870 ppm2 1.956 CV 1 ASSI { 869} (( segid "ATXH" and resid 37 and name HA )) (( segid "ATXH" and resid 37 and name HE3 )) 4.400 2.400 1.600 peak 869 spectrum 1 weight 0.10000E+01 volume 0.62549E-03 ppm1 2.862 ppm2 4.718 CV 1 OR { 869} (( segid "ATXH" and resid 37 and name HA )) (( segid "ATXH" and resid 37 and name HE2 )) ASSI { 870} ( segid "ATXH" and resid 23 and name HD1%) (( segid "ATXH" and resid 23 and name HA )) 4.500 2.500 1.500 peak 870 spectrum 1 weight 0.10000E+01 volume 0.62312E-03 ppm1 3.454 ppm2 0.151 CV 1 ASSI { 871} (( segid "ATXH" and resid 24 and name HA )) ( segid "ATXH" and resid 36 and name HG2%) 3.600 1.600 1.600 peak 871 spectrum 1 weight 0.10000E+01 volume 0.61956E-03 ppm1 0.839 ppm2 3.564 CV 1 ASSI { 876} (( segid "ATXH" and resid 58 and name HB2 )) ( segid "ATXH" and resid 30 and name HD2%) 4.400 2.400 1.600 peak 876 spectrum 1 weight 0.10000E+01 volume 0.60888E-03 ppm1 0.833 ppm2 3.015 CV 1 ASSI { 877} (( segid "ATXH" and resid 25 and name HA )) (( segid "ATXH" and resid 28 and name HE2 )) 4.200 2.200 1.800 peak 877 spectrum 1 weight 0.10000E+01 volume 0.60651E-03 ppm1 2.912 ppm2 4.041 CV 1 ASSI { 878} (( segid "ATXH" and resid 34 and name HA )) ( segid "ATXH" and resid 4 and name HE% ) 4.400 2.400 1.600 peak 878 spectrum 1 weight 0.10000E+01 volume 0.60651E-03 ppm1 1.915 ppm2 4.402 CV 1 ASSI { 880} (( segid "ATXH" and resid 3 and name HA )) (( segid "ATXH" and resid 50 and name HA )) 4.000 2.000 2.000 peak 880 spectrum 1 weight 0.10000E+01 volume 0.60294E-03 ppm1 5.029 ppm2 4.398 CV 1 ASSI { 884} (( segid "ATXH" and resid 45 and name HA )) (( segid "ATXH" and resid 38 and name HA )) 3.400 1.500 1.500 peak 884 spectrum 1 weight 0.10000E+01 volume 0.58870E-03 ppm1 4.304 ppm2 4.454 CV 1 ASSI { 886} (( segid "ATXH" and resid 51 and name HB2 )) (( segid "ATXH" and resid 50 and name HA )) 4.900 3.000 1.100 peak 886 spectrum 1 weight 0.10000E+01 volume 0.58158E-03 ppm1 5.020 ppm2 4.205 CV 1 ASSI { 888} (( segid "ATXH" and resid 52 and name HB2 )) ( segid "ATXH" and resid 3 and name HB% ) 3.600 1.700 1.700 peak 888 spectrum 1 weight 0.10000E+01 volume 0.56140E-03 ppm1 1.358 ppm2 3.986 CV 1 ASSI { 891} ( segid "ATXH" and resid 9 and name HD1%) (( segid "ATXH" and resid 7 and name HB3 )) 3.600 1.600 1.600 peak 891 spectrum 1 weight 0.10000E+01 volume 0.55428E-03 ppm1 1.397 ppm2 0.651 CV 1 OR { 891} ( segid "ATXH" and resid 9 and name HD2%) (( segid "ATXH" and resid 7 and name HB3 )) ASSI { 892} (( segid "ATXH" and resid 28 and name HE2 )) (( segid "ATXH" and resid 35 and name HA )) 3.600 1.600 1.600 peak 892 spectrum 1 weight 0.10000E+01 volume 0.55428E-03 ppm1 4.623 ppm2 2.944 CV 1 ASSI { 893} ( segid "ATXH" and resid 53 and name HG2%) (( segid "ATXH" and resid 2 and name HB2 )) 3.300 1.300 1.300 peak 893 spectrum 1 weight 0.10000E+01 volume 0.55428E-03 ppm1 2.824 ppm2 0.810 CV 1 ASSI { 894} ( segid "ATXH" and resid 54 and name HG2%) (( segid "ATXH" and resid 32 and name HA2 )) 4.300 2.400 1.700 peak 894 spectrum 1 weight 0.10000E+01 volume 0.55428E-03 ppm1 4.223 ppm2 0.726 CV 1 ASSI { 896} (( segid "ATXH" and resid 20 and name HN )) (( segid "ATXH" and resid 18 and name HB3 )) 3.300 3.300 2.700 peak 896 spectrum 1 weight 0.10000E+01 volume 0.55072E-03 ppm1 3.119 ppm2 6.979 CV 1 ASSI { 897} (( segid "ATXH" and resid 43 and name HA1 )) (( segid "ATXH" and resid 10 and name HB3 )) 4.300 2.300 1.700 peak 897 spectrum 1 weight 0.10000E+01 volume 0.54953E-03 ppm1 1.904 ppm2 3.618 CV 1 ASSI { 898} ( segid "ATXH" and resid 33 and name HG2%) (( segid "ATXH" and resid 28 and name HB2 )) 4.200 2.200 1.800 peak 898 spectrum 1 weight 0.10000E+01 volume 0.54360E-03 ppm1 1.846 ppm2 0.649 CV 1 OR { 898} ( segid "ATXH" and resid 33 and name HG2%) (( segid "ATXH" and resid 28 and name HB3 )) ASSI { 899} ( segid "ATXH" and resid 48 and name HG2%) (( segid "ATXH" and resid 6 and name HB2 )) 3.300 1.400 1.400 peak 899 spectrum 1 weight 0.10000E+01 volume 0.54241E-03 ppm1 1.991 ppm2 1.102 CV 1 ASSI { 900} (( segid "ATXH" and resid 49 and name HG13)) (( segid "ATXH" and resid 51 and name HA )) 3.900 1.900 1.900 peak 900 spectrum 1 weight 0.10000E+01 volume 0.54004E-03 ppm1 4.944 ppm2 1.426 CV 1 ASSI { 901} (( segid "ATXH" and resid 49 and name HG13)) (( segid "ATXH" and resid 51 and name HB3 )) 3.800 1.800 1.800 peak 901 spectrum 1 weight 0.10000E+01 volume 0.53292E-03 ppm1 3.803 ppm2 1.420 CV 1 ASSI { 902} (( segid "ATXH" and resid 7 and name HG )) (( segid "ATXH" and resid 7 and name HB3 )) 3.800 1.800 1.800 peak 902 spectrum 1 weight 0.10000E+01 volume 0.53055E-03 ppm1 1.400 ppm2 0.791 CV 1 OR { 902} ( segid "ATXH" and resid 7 and name HD1%) (( segid "ATXH" and resid 7 and name HB3 )) ASSI { 905} (( segid "ATXH" and resid 30 and name HB2 )) ( segid "ATXH" and resid 30 and name HD1%) 4.200 2.200 1.800 peak 905 spectrum 1 weight 0.10000E+01 volume 0.52223E-03 ppm1 0.877 ppm2 1.994 CV 1 ASSI { 907} (( segid "ATXH" and resid 9 and name HG )) (( segid "ATXH" and resid 9 and name HB3 )) 3.900 1.900 1.900 peak 907 spectrum 1 weight 0.10000E+01 volume 0.51986E-03 ppm1 1.281 ppm2 0.621 CV 1 OR { 907} ( segid "ATXH" and resid 9 and name HD1%) (( segid "ATXH" and resid 9 and name HB3 )) ASSI { 910} (( segid "ATXH" and resid 16 and name HA )) (( segid "ATXH" and resid 14 and name HB2 )) 3.300 3.300 2.700 peak 910 spectrum 1 weight 0.10000E+01 volume 0.51393E-03 ppm1 2.307 ppm2 4.282 CV 1 ASSI { 911} (( segid "ATXH" and resid 49 and name HA )) ( segid "ATXH" and resid 33 and name HG1%) 4.100 2.100 1.900 peak 911 spectrum 1 weight 0.10000E+01 volume 0.50561E-03 ppm1 0.834 ppm2 5.307 CV 1 ASSI { 913} (( segid "ATXH" and resid 10 and name HB3 )) (( segid "ATXH" and resid 44 and name HA )) 4.700 2.700 1.300 peak 913 spectrum 1 weight 0.10000E+01 volume 0.50087E-03 ppm1 5.499 ppm2 1.976 CV 1 ASSI { 915} ( segid "ATXH" and resid 20 and name HG2%) (( segid "ATXH" and resid 40 and name HG )) 3.800 1.800 1.800 peak 915 spectrum 1 weight 0.10000E+01 volume 0.49493E-03 ppm1 1.563 ppm2 0.969 CV 1 ASSI { 916} (( segid "ATXH" and resid 60 and name HA )) ( segid "ATXH" and resid 59 and name HG2%) 3.900 1.900 1.900 peak 916 spectrum 1 weight 0.10000E+01 volume 0.49256E-03 ppm1 0.754 ppm2 3.251 CV 1 ASSI { 918} (( segid "ATXH" and resid 57 and name HA )) (( segid "ATXH" and resid 57 and name HE3 )) 4.400 2.400 1.600 peak 918 spectrum 1 weight 0.10000E+01 volume 0.48781E-03 ppm1 2.942 ppm2 3.849 CV 1 OR { 918} (( segid "ATXH" and resid 57 and name HA )) (( segid "ATXH" and resid 57 and name HE2 )) ASSI { 922} (( segid "ATXH" and resid 14 and name HG3 )) (( segid "ATXH" and resid 14 and name HB3 )) 3.800 1.800 1.800 peak 922 spectrum 1 weight 0.10000E+01 volume 0.47832E-03 ppm1 1.438 ppm2 2.051 CV 1 OR { 922} (( segid "ATXH" and resid 14 and name HG2 )) (( segid "ATXH" and resid 14 and name HB3 )) ASSI { 923} (( segid "ATXH" and resid 57 and name HE3 )) (( segid "ATXH" and resid 57 and name HG2 )) 3.900 1.900 1.900 peak 923 spectrum 1 weight 0.10000E+01 volume 0.47713E-03 ppm1 1.440 ppm2 2.949 CV 1 OR { 923} (( segid "ATXH" and resid 57 and name HE2 )) (( segid "ATXH" and resid 57 and name HG2 )) ASSI { 926} (( segid "ATXH" and resid 21 and name HA )) (( segid "ATXH" and resid 24 and name HB3 )) 3.500 1.500 1.500 peak 926 spectrum 1 weight 0.10000E+01 volume 0.46645E-03 ppm1 1.911 ppm2 4.445 CV 1 ASSI { 931} ( segid "ATXH" and resid 20 and name HG1%) ( segid "ATXH" and resid 14 and name HE% ) 4.000 2.000 2.000 peak 931 spectrum 1 weight 0.10000E+01 volume 0.45814E-03 ppm1 1.763 ppm2 1.067 CV 1 ASSI { 933} ( segid "ATXH" and resid 38 and name HG1%) ( segid "ATXH" and resid 14 and name HE% ) 3.800 1.800 1.800 peak 933 spectrum 1 weight 0.10000E+01 volume 0.45340E-03 ppm1 1.775 ppm2 0.993 CV 1 ASSI { 934} ( segid "ATXH" and resid 8 and name HG2%) (( segid "ATXH" and resid 10 and name HG2 )) 3.800 1.800 1.800 peak 934 spectrum 1 weight 0.10000E+01 volume 0.44271E-03 ppm1 2.264 ppm2 1.094 CV 1 OR { 934} ( segid "ATXH" and resid 8 and name HG2%) (( segid "ATXH" and resid 10 and name HG3 )) ASSI { 937} (( segid "ATXH" and resid 35 and name HA )) (( segid "ATXH" and resid 48 and name HB )) 4.500 2.500 1.500 peak 937 spectrum 1 weight 0.10000E+01 volume 0.43440E-03 ppm1 3.883 ppm2 4.608 CV 1 ASSI { 939} (( segid "ATXH" and resid 30 and name HA )) ( segid "ATXH" and resid 30 and name HD1%) 4.000 2.000 2.000 peak 939 spectrum 1 weight 0.10000E+01 volume 0.43203E-03 ppm1 0.879 ppm2 4.177 CV 1 ASSI { 940} ( segid "ATXH" and resid 68 and name HE% ) ( segid "ATXH" and resid 11 and name HG1%) 3.400 1.400 1.400 peak 940 spectrum 1 weight 0.10000E+01 volume 0.43084E-03 ppm1 0.670 ppm2 6.871 CV 1 ASSI { 941} ( segid "ATXH" and resid 68 and name HE% ) ( segid "ATXH" and resid 22 and name HB% ) 3.800 1.800 1.800 peak 941 spectrum 1 weight 0.10000E+01 volume 0.42728E-03 ppm1 1.618 ppm2 6.885 CV 1 ASSI { 942} (( segid "ATXH" and resid 54 and name HB )) (( segid "ATXH" and resid 53 and name HB )) 4.400 2.400 1.600 peak 942 spectrum 1 weight 0.10000E+01 volume 0.42728E-03 ppm1 1.996 ppm2 2.366 CV 1 ASSI { 944} (( segid "ATXH" and resid 64 and name HG2 )) (( segid "ATXH" and resid 64 and name HB3 )) 3.700 1.700 1.700 peak 944 spectrum 1 weight 0.10000E+01 volume 0.41422E-03 ppm1 1.990 ppm2 2.679 CV 1 ASSI { 945} (( segid "ATXH" and resid 65 and name HB3 )) (( segid "ATXH" and resid 66 and name HA )) 4.000 2.000 2.000 peak 945 spectrum 1 weight 0.10000E+01 volume 0.41304E-03 ppm1 4.285 ppm2 2.641 CV 1 ASSI { 946} (( segid "ATXH" and resid 29 and name HG3 )) (( segid "ATXH" and resid 26 and name HA )) 3.900 1.900 1.900 peak 946 spectrum 1 weight 0.10000E+01 volume 0.41067E-03 ppm1 4.151 ppm2 2.338 CV 1 ASSI { 948} ( segid "ATXH" and resid 36 and name HG2%) (( segid "ATXH" and resid 37 and name HA )) 3.900 1.900 1.900 peak 948 spectrum 1 weight 0.10000E+01 volume 0.40354E-03 ppm1 4.707 ppm2 0.829 CV 1 OR { 948} ( segid "ATXH" and resid 36 and name HG1%) (( segid "ATXH" and resid 37 and name HA )) ASSI { 949} (( segid "ATXH" and resid 48 and name HB )) ( segid "ATXH" and resid 4 and name HE% ) 4.300 2.300 1.700 peak 949 spectrum 1 weight 0.10000E+01 volume 0.40236E-03 ppm1 1.915 ppm2 3.877 CV 1 ASSI { 950} (( segid "ATXH" and resid 57 and name HA )) (( segid "ATXH" and resid 57 and name HG3 )) 4.500 2.500 1.500 peak 950 spectrum 1 weight 0.10000E+01 volume 0.39998E-03 ppm1 1.381 ppm2 3.843 CV 1 ASSI { 953} ( segid "ATXH" and resid 54 and name HG1%) ( segid "ATXH" and resid 54 and name HG2%) 3.800 1.800 1.800 peak 953 spectrum 1 weight 0.10000E+01 volume 0.39286E-03 ppm1 0.726 ppm2 1.161 CV 1 ASSI { 955} (( segid "ATXH" and resid 38 and name HA )) (( segid "ATXH" and resid 38 and name HB )) 3.700 1.800 1.800 peak 955 spectrum 1 weight 0.10000E+01 volume 0.38930E-03 ppm1 2.048 ppm2 4.294 CV 1 ASSI { 956} (( segid "ATXH" and resid 46 and name HB3 )) (( segid "ATXH" and resid 45 and name HA )) 4.900 3.000 1.100 peak 956 spectrum 1 weight 0.10000E+01 volume 0.38218E-03 ppm1 4.459 ppm2 1.888 CV 1 ASSI { 957} ( segid "ATXH" and resid 11 and name HG1%) (( segid "ATXH" and resid 68 and name HA )) 4.400 2.400 1.600 peak 957 spectrum 1 weight 0.10000E+01 volume 0.38218E-03 ppm1 4.663 ppm2 0.642 CV 1 ASSI { 958} (( segid "ATXH" and resid 34 and name HG3 )) (( segid "ATXH" and resid 49 and name HA )) 4.600 2.700 1.400 peak 958 spectrum 1 weight 0.10000E+01 volume 0.37981E-03 ppm1 5.311 ppm2 2.080 CV 1 ASSI { 959} (( segid "ATXH" and resid 51 and name HB3 )) (( segid "ATXH" and resid 5 and name HB2 )) 3.700 1.700 1.700 peak 959 spectrum 1 weight 0.10000E+01 volume 0.37981E-03 ppm1 1.994 ppm2 3.817 CV 1 ASSI { 962} (( segid "ATXH" and resid 28 and name HB3 )) (( segid "ATXH" and resid 25 and name HB2 )) 4.900 3.000 1.100 peak 962 spectrum 1 weight 0.10000E+01 volume 0.36200E-03 ppm1 3.912 ppm2 1.846 CV 1 OR { 962} (( segid "ATXH" and resid 28 and name HB2 )) (( segid "ATXH" and resid 25 and name HB2 )) ASSI { 967} (( segid "ATXH" and resid 47 and name HA )) ( segid "ATXH" and resid 48 and name HG2%) 4.300 2.400 1.700 peak 967 spectrum 1 weight 0.10000E+01 volume 0.34895E-03 ppm1 1.106 ppm2 5.033 CV 1 ASSI { 968} ( segid "ATXH" and resid 68 and name HE% ) ( segid "ATXH" and resid 63 and name HG2%) 3.500 1.600 1.600 peak 968 spectrum 1 weight 0.10000E+01 volume 0.34301E-03 ppm1 0.762 ppm2 6.876 CV 1 ASSI { 969} ( segid "ATXH" and resid 3 and name HB% ) (( segid "ATXH" and resid 52 and name HB3 )) 4.400 2.400 1.600 peak 969 spectrum 1 weight 0.10000E+01 volume 0.34064E-03 ppm1 3.840 ppm2 1.360 CV 1 ASSI { 970} ( segid "ATXH" and resid 3 and name HB% ) (( segid "ATXH" and resid 50 and name HA )) 4.300 2.300 1.700 peak 970 spectrum 1 weight 0.10000E+01 volume 0.34064E-03 ppm1 5.028 ppm2 1.362 CV 1 ASSI { 971} (( segid "ATXH" and resid 48 and name HB )) (( segid "ATXH" and resid 34 and name HB2 )) 4.700 2.700 1.300 peak 971 spectrum 1 weight 0.10000E+01 volume 0.33471E-03 ppm1 1.888 ppm2 3.864 CV 1 ASSI { 972} (( segid "ATXH" and resid 63 and name HA )) (( segid "ATXH" and resid 66 and name HG2 )) 4.000 2.000 2.000 peak 972 spectrum 1 weight 0.10000E+01 volume 0.33471E-03 ppm1 2.477 ppm2 3.547 CV 1 OR { 972} (( segid "ATXH" and resid 63 and name HA )) (( segid "ATXH" and resid 66 and name HG3 )) ASSI { 974} (( segid "ATXH" and resid 34 and name HA )) (( segid "ATXH" and resid 35 and name HG2 )) 4.300 2.300 1.700 peak 974 spectrum 1 weight 0.10000E+01 volume 0.33114E-03 ppm1 2.240 ppm2 4.417 CV 1 ASSI { 976} (( segid "ATXH" and resid 58 and name HB2 )) ( segid "ATXH" and resid 30 and name HD1%) 4.600 2.600 1.400 peak 976 spectrum 1 weight 0.10000E+01 volume 0.32521E-03 ppm1 0.877 ppm2 3.016 CV 1 ASSI { 983} ( segid "ATXH" and resid 41 and name HB% ) (( segid "ATXH" and resid 42 and name HG3 )) 4.500 2.500 1.500 peak 983 spectrum 1 weight 0.10000E+01 volume 0.29435E-03 ppm1 2.258 ppm2 1.385 CV 1 ASSI { 987} (( segid "ATXH" and resid 39 and name HG2 )) (( segid "ATXH" and resid 39 and name HB3 )) 4.100 2.100 1.900 peak 987 spectrum 1 weight 0.10000E+01 volume 0.28723E-03 ppm1 2.028 ppm2 2.174 CV 1 ASSI { 988} (( segid "ATXH" and resid 60 and name HA )) (( segid "ATXH" and resid 57 and name HA )) 5.000 3.100 1.000 peak 988 spectrum 1 weight 0.10000E+01 volume 0.27655E-03 ppm1 3.853 ppm2 3.249 CV 1 ASSI { 990} (( segid "ATXH" and resid 5 and name HG3 )) (( segid "ATXH" and resid 51 and name HB3 )) 3.900 1.900 1.900 peak 990 spectrum 1 weight 0.10000E+01 volume 0.27418E-03 ppm1 3.806 ppm2 1.995 CV 1 OR { 990} (( segid "ATXH" and resid 5 and name HB2 )) (( segid "ATXH" and resid 51 and name HB3 )) ASSI { 992} (( segid "ATXH" and resid 30 and name HG )) ( segid "ATXH" and resid 54 and name HG2%) 4.600 2.700 1.400 peak 992 spectrum 1 weight 0.10000E+01 volume 0.27299E-03 ppm1 0.730 ppm2 1.887 CV 1 ASSI { 993} (( segid "ATXH" and resid 60 and name HA )) ( segid "ATXH" and resid 9 and name HD2%) 4.400 2.400 1.600 peak 993 spectrum 1 weight 0.10000E+01 volume 0.26467E-03 ppm1 0.710 ppm2 3.255 CV 1 ASSI { 994} (( segid "ATXH" and resid 7 and name HB2 )) (( segid "ATXH" and resid 6 and name HA )) 5.100 3.300 0.900 peak 994 spectrum 1 weight 0.10000E+01 volume 0.26467E-03 ppm1 5.181 ppm2 1.564 CV 1 ASSI { 996} (( segid "ATXH" and resid 30 and name HB3 )) ( segid "ATXH" and resid 33 and name HG1%) 5.200 3.400 0.800 peak 996 spectrum 1 weight 0.10000E+01 volume 0.25399E-03 ppm1 0.833 ppm2 1.318 CV 1 ASSI { 997} (( segid "ATXH" and resid 32 and name HA1 )) (( segid "ATXH" and resid 50 and name HA )) 5.000 3.100 1.000 peak 997 spectrum 1 weight 0.10000E+01 volume 0.24688E-03 ppm1 5.022 ppm2 3.671 CV 1 ASSI { 1006} (( segid "ATXH" and resid 68 and name HA )) ( segid "ATXH" and resid 63 and name HG2%) 5.300 3.500 0.700 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.21127E-03 ppm1 0.775 ppm2 4.656 CV 1 ASSI { 1009} (( segid "ATXH" and resid 28 and name HA )) (( segid "ATXH" and resid 28 and name HD2 )) 4.600 2.700 1.400 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.20296E-03 ppm1 1.663 ppm2 3.776 CV 1 ASSI { 1011} (( segid "ATXH" and resid 28 and name HG2 )) (( segid "ATXH" and resid 25 and name HA )) 5.400 3.600 0.600 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.19703E-03 ppm1 4.050 ppm2 1.471 CV 1 ASSI { 1015} (( segid "ATXH" and resid 61 and name HA )) (( segid "ATXH" and resid 64 and name HB3 )) 5.100 3.300 0.900 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.17685E-03 ppm1 1.991 ppm2 4.194 CV 1 ASSI { 1018} (( segid "ATXH" and resid 23 and name HG13)) ( segid "ATXH" and resid 45 and name HG2%) 5.100 3.200 0.900 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.15904E-03 ppm1 0.593 ppm2 1.575 CV 1 OR { 1018} (( segid "ATXH" and resid 23 and name HG12)) ( segid "ATXH" and resid 45 and name HG2%) ASSI { 1019} ( segid "ATXH" and resid 63 and name HG2%) (( segid "ATXH" and resid 23 and name HA )) 4.900 3.000 1.100 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.15549E-03 ppm1 3.383 ppm2 0.789 CV 1 ASSI { 1020} (( segid "ATXH" and resid 39 and name HB3 )) (( segid "ATXH" and resid 42 and name HA )) 5.500 3.800 0.500 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.15192E-03 ppm1 4.219 ppm2 2.003 CV 1 ASSI { 1021} (( segid "ATXH" and resid 49 and name HA )) ( segid "ATXH" and resid 4 and name HE% ) 4.700 2.700 1.300 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.14955E-03 ppm1 1.913 ppm2 5.301 CV 1 ASSI { 1025} (( segid "ATXH" and resid 28 and name HG2 )) (( segid "ATXH" and resid 29 and name HA )) 4.700 2.800 1.300 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.13887E-03 ppm1 4.052 ppm2 1.473 CV 1 ASSI { 1028} (( segid "ATXH" and resid 20 and name HN )) (( segid "ATXH" and resid 18 and name HB2 )) 4.200 2.200 1.800 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.12581E-03 ppm1 3.298 ppm2 6.978 CV 1 ASSI { 1031} ( segid "ATXH" and resid 49 and name HG2%) ( segid "ATXH" and resid 4 and name HE% ) 5.200 3.300 0.800 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.11537E-03 ppm1 1.917 ppm2 0.726 CV 1 ASSI { 1032} ( segid "ATXH" and resid 49 and name HG2%) (( segid "ATXH" and resid 50 and name HB2 )) 5.600 3.900 0.400 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.11311E-03 ppm1 2.947 ppm2 0.742 CV 1 ASSI { 1034} (( segid "ATXH" and resid 10 and name HA )) ( segid "ATXH" and resid 8 and name HG2%) 5.100 3.300 0.900 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.10445E-03 ppm1 1.080 ppm2 4.708 CV 1 ASSI { 1035} ( segid "ATXH" and resid 60 and name HG1%) (( segid "ATXH" and resid 56 and name HA )) 5.600 3.900 0.400 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.10196E-03 ppm1 3.870 ppm2 0.967 CV 1 ASSI { 1036} (( segid "ATXH" and resid 44 and name HA )) ( segid "ATXH" and resid 14 and name HE% ) 4.300 2.400 1.700 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.99702E-04 ppm1 1.756 ppm2 5.492 CV 1 ASSI { 1038} (( segid "ATXH" and resid 4 and name HG3 )) (( segid "ATXH" and resid 3 and name HA )) 6.000 5.600 0.000 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.94948E-04 ppm1 4.403 ppm2 2.455 CV 1 ASSI { 1043} ( segid "ATXH" and resid 3 and name HB% ) (( segid "ATXH" and resid 2 and name HA )) 5.800 4.300 0.200 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.75251E-04 ppm1 4.704 ppm2 1.360 CV 1 ASSI { 1049} (( segid "ATXH" and resid 51 and name HA )) ( segid "ATXH" and resid 54 and name HG2%) 6.000 4.500 0.000 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.49731E-04 ppm1 0.727 ppm2 4.893 CV 1 ASSI { 1050} (( segid "ATXH" and resid 28 and name HD2 )) (( segid "ATXH" and resid 25 and name HA )) 6.000 5.300 0.000 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.44034E-04 ppm1 4.044 ppm2 1.649 CV 1 ASSI { 1052} (( segid "ATXH" and resid 32 and name HA1 )) ( segid "ATXH" and resid 54 and name HG2%) 6.000 6.000 0.000 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.38574E-04 ppm1 0.726 ppm2 3.674 CV 1 ASSI { 1054} (( segid "ATXH" and resid 33 and name HA )) ( segid "ATXH" and resid 54 and name HG2%) 6.000 5.800 0.000 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.28842E-04 ppm1 0.727 ppm2 4.076 CV 1 ASSI { 1057} (( segid "ATXH" and resid 49 and name HA )) ( segid "ATXH" and resid 54 and name HG2%) 6.000 6.000 0.000 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.19346E-04 ppm1 0.727 ppm2 5.310 CV 1 ASSI { 1060} (( segid "ATXH" and resid 58 and name HB2 )) ( segid "ATXH" and resid 54 and name HG2%) 6.000 6.000 0.000 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.26112E-05 ppm1 0.725 ppm2 2.960 CV 1 ASSI ( resid 13 and name HA1 ) ( resid 68 and name HE# ) 6.0 4.0 0.0 peak 2000 volume 8.94e+05 hpm1 45.027 ppm1 3.736 ppm2 6.873 ASSI ( resid 13 and name HA2 ) ( resid 68 and name HE# ) 6.0 4.0 0.0 peak 2001 volume 4.23e+05 hpm1 44.963 ppm1 4.636 ppm2 6.869 ASSI ( resid 14 and name HA ) ( resid 68 and name HE# ) 6.0 4.0 0.0 peak 2002 volume 1.38e+06 hpm1 56.215 ppm1 5.083 ppm2 6.881 ASSI ( resid 14 and name HB2 ) ( resid 68 and name HE# ) 6.0 4.0 0.0 peak 2003 volume 6.34e+05 hpm1 34.211 ppm1 2.319 ppm2 6.883 ASSI ( resid 14 and name HE# ) ( resid 43 and name HA1 ) 6.0 4.0 0.0 peak 2004 volume 2.54e+06 hpm1 15.693 ppm1 1.773 ppm2 3.625 ASSI ( resid 22 and name HB ) ( resid 68 and name HE# ) 6.0 4.0 0.0 peak 2005 volume 3.60e+05 hpm1 48.185 ppm1 1.618 ppm2 6.885 ASSI ( resid 23 and name HD1# ) ( resid 14 and name HG2 ) 6.0 4.0 0.0 peak 2006 volume 2.04e+04 hpm1 13.215 ppm1 0.142 ppm2 2.049 ASSI ( resid 23 and name HG12 ) ( resid 68 and name HE# ) 6.0 4.0 0.0 peak 2007 volume 1.69e+05 hpm1 30.453 ppm1 1.625 ppm2 6.876 ASSI ( resid 23 and name HG2# ) ( resid 14 and name HG2 ) 6.0 4.0 0.0 peak 2008 volume 8.84e+05 hpm1 17.351 ppm1 0.549 ppm2 2.073 ASSI ( resid 63 and name HG2# ) ( resid 68 and name HD# ) 6.0 4.0 0.0 peak 2009 volume 8.25e+05 hpm1 18.852 ppm1 0.781 ppm2 6.944 ASSI ( resid 50 and name H ) ( resid 4 and name HE# ) 6.0 4.0 0.0 peak 2010 volume 3.86e+05 hpm1 119.634 ppm1 8.528 ppm2 1.920 ASSI ( resid 49 and name H ) ( resid 4 and name HE# ) 6.0 4.0 0.0 peak 2011 volume 8.93e+04 hpm1 119.554 ppm1 9.252 ppm2 1.936 ASSI { 7} (( segid "ATXH" and resid 11 and name HA )) (( segid "ATXH" and resid 10 and name HN )) 2.300 2.300 3.700 peak 7 spectrum 1 weight 0.10000E+01 volume 0.10310E-01 ppm1 9.035 ppm2 4.793 CV 1 OR { 7} (( segid "ATXH" and resid 8 and name HA )) (( segid "ATXH" and resid 10 and name HN )) ASSI { 8} (( segid "ATXH" and resid 59 and name HB )) (( segid "ATXH" and resid 60 and name HN )) 2.100 0.500 0.500 peak 8 spectrum 1 weight 0.10000E+01 volume 0.10068E-01 ppm1 8.537 ppm2 2.015 CV 1 OR { 8} (( segid "ATXH" and resid 60 and name HB )) (( segid "ATXH" and resid 60 and name HN )) ASSI { 18} ( segid "ATXH" and resid 22 and name HB% ) (( segid "ATXH" and resid 23 and name HN )) 2.200 0.600 0.600 peak 18 spectrum 1 weight 0.10000E+01 volume 0.85603E-02 ppm1 8.268 ppm2 1.631 CV 1 OR { 18} (( segid "ATXH" and resid 23 and name HB )) (( segid "ATXH" and resid 23 and name HN )) ASSI { 25} (( segid "ATXH" and resid 44 and name HN )) (( segid "ATXH" and resid 43 and name HN )) 2.300 0.600 0.600 peak 25 spectrum 1 weight 0.10000E+01 volume 0.67450E-02 ppm1 7.940 ppm2 7.578 CV 1 OR { 25} (( segid "ATXH" and resid 42 and name HN )) (( segid "ATXH" and resid 43 and name HN )) ASSI { 30} (( segid "ATXH" and resid 70 and name HA )) (( segid "ATXH" and resid 71 and name HN )) 2.300 0.700 0.700 peak 30 spectrum 1 weight 0.10000E+01 volume 0.61948E-02 ppm1 8.788 ppm2 4.543 CV 1 OR { 30} (( segid "ATXH" and resid 71 and name HA )) (( segid "ATXH" and resid 71 and name HN )) ASSI { 31} ( segid "ATXH" and resid 33 and name HG1%) (( segid "ATXH" and resid 33 and name HN )) 2.700 0.900 0.900 peak 31 spectrum 1 weight 0.10000E+01 volume 0.61728E-02 ppm1 7.523 ppm2 0.836 CV 1 OR { 31} ( segid "ATXH" and resid 53 and name HG1%) (( segid "ATXH" and resid 33 and name HN )) ASSI { 34} (( segid "ATXH" and resid 30 and name HB2 )) (( segid "ATXH" and resid 30 and name HN )) 2.300 0.600 0.600 peak 34 spectrum 1 weight 0.10000E+01 volume 0.59528E-02 ppm1 7.448 ppm2 2.012 CV 1 OR { 34} (( segid "ATXH" and resid 29 and name HB2 )) (( segid "ATXH" and resid 30 and name HN )) ASSI { 48} (( segid "ATXH" and resid 63 and name HN )) (( segid "ATXH" and resid 62 and name HN )) 2.400 0.700 0.700 peak 48 spectrum 1 weight 0.10000E+01 volume 0.49624E-02 ppm1 7.187 ppm2 7.677 CV 1 OR { 48} (( segid "ATXH" and resid 61 and name HN )) (( segid "ATXH" and resid 62 and name HN )) ASSI { 53} (( segid "ATXH" and resid 25 and name HN )) (( segid "ATXH" and resid 26 and name HN )) 2.400 0.700 0.700 peak 53 spectrum 1 weight 0.10000E+01 volume 0.48304E-02 ppm1 7.528 ppm2 8.193 CV 1 OR { 53} (( segid "ATXH" and resid 27 and name HN )) (( segid "ATXH" and resid 26 and name HN )) ASSI { 63} ( segid "ATXH" and resid 36 and name HG2%) (( segid "ATXH" and resid 38 and name HN )) 2.500 0.800 0.800 peak 63 spectrum 1 weight 0.10000E+01 volume 0.45443E-02 ppm1 9.833 ppm2 0.884 CV 1 OR { 63} ( segid "ATXH" and resid 20 and name HG2%) (( segid "ATXH" and resid 38 and name HN )) ASSI { 64} (( segid "ATXH" and resid 5 and name HB3 )) (( segid "ATXH" and resid 5 and name HN )) 2.600 0.900 0.900 peak 64 spectrum 1 weight 0.10000E+01 volume 0.44343E-02 ppm1 9.161 ppm2 1.826 CV 1 OR { 64} (( segid "ATXH" and resid 4 and name HB3 )) (( segid "ATXH" and resid 5 and name HN )) ASSI { 70} (( segid "ATXH" and resid 12 and name HA )) (( segid "ATXH" and resid 13 and name HN )) 2.500 0.800 0.800 peak 70 spectrum 1 weight 0.10000E+01 volume 0.42913E-02 ppm1 8.568 ppm2 4.622 CV 1 OR { 70} (( segid "ATXH" and resid 13 and name HA2 )) (( segid "ATXH" and resid 13 and name HN )) ASSI { 73} (( segid "ATXH" and resid 37 and name HB2 )) (( segid "ATXH" and resid 37 and name HN )) 2.500 0.800 0.800 peak 73 spectrum 1 weight 0.10000E+01 volume 0.41922E-02 ppm1 9.018 ppm2 1.752 CV 1 OR { 73} (( segid "ATXH" and resid 37 and name HB2 )) (( segid "ATXH" and resid 46 and name HN )) ASSI { 74} (( segid "ATXH" and resid 64 and name HA )) (( segid "ATXH" and resid 68 and name HN )) 2.400 0.700 0.700 peak 74 spectrum 1 weight 0.10000E+01 volume 0.41812E-02 ppm1 6.775 ppm2 4.656 CV 1 OR { 74} (( segid "ATXH" and resid 68 and name HA )) (( segid "ATXH" and resid 68 and name HN )) ASSI { 80} ( segid "ATXH" and resid 45 and name HG1%) (( segid "ATXH" and resid 45 and name HN )) 2.700 0.900 0.900 peak 80 spectrum 1 weight 0.10000E+01 volume 0.38622E-02 ppm1 8.993 ppm2 0.765 CV 1 OR { 80} ( segid "ATXH" and resid 63 and name HG2%) (( segid "ATXH" and resid 64 and name HN )) ASSI { 85} (( segid "ATXH" and resid 30 and name HG )) (( segid "ATXH" and resid 30 and name HN )) 2.700 2.700 3.300 peak 85 spectrum 1 weight 0.10000E+01 volume 0.37961E-02 ppm1 7.448 ppm2 1.843 CV 1 OR { 85} (( segid "ATXH" and resid 28 and name HB3 )) (( segid "ATXH" and resid 30 and name HN )) ASSI { 88} (( segid "ATXH" and resid 57 and name HA )) (( segid "ATXH" and resid 57 and name HN )) 2.600 0.800 0.800 peak 88 spectrum 1 weight 0.10000E+01 volume 0.36970E-02 ppm1 8.104 ppm2 3.854 CV 1 OR { 88} (( segid "ATXH" and resid 56 and name HA )) (( segid "ATXH" and resid 57 and name HN )) ASSI { 101} (( segid "ATXH" and resid 20 and name HA )) (( segid "ATXH" and resid 20 and name HN )) 2.600 0.800 0.800 peak 101 spectrum 1 weight 0.10000E+01 volume 0.35100E-02 ppm1 7.018 ppm2 3.256 CV 1 OR { 101} (( segid "ATXH" and resid 19 and name HB2 )) (( segid "ATXH" and resid 20 and name HN )) ASSI { 102} (( segid "ATXH" and resid 6 and name HB3 )) (( segid "ATXH" and resid 6 and name HN )) 2.800 1.000 1.000 peak 102 spectrum 1 weight 0.10000E+01 volume 0.34990E-02 ppm1 8.621 ppm2 1.870 CV 1 OR { 102} (( segid "ATXH" and resid 5 and name HB3 )) (( segid "ATXH" and resid 6 and name HN )) ASSI { 106} ( segid "ATXH" and resid 59 and name HG2%) (( segid "ATXH" and resid 60 and name HN )) 2.900 1.000 1.000 peak 106 spectrum 1 weight 0.10000E+01 volume 0.34660E-02 ppm1 8.531 ppm2 0.725 CV 1 OR { 106} ( segid "ATXH" and resid 49 and name HG2%) (( segid "ATXH" and resid 50 and name HN )) ASSI { 107} ( segid "ATXH" and resid 47 and name HG2%) (( segid "ATXH" and resid 37 and name HN )) 2.700 0.900 0.900 peak 107 spectrum 1 weight 0.10000E+01 volume 0.34110E-02 ppm1 9.026 ppm2 0.825 CV 1 OR { 107} ( segid "ATXH" and resid 36 and name HG2%) (( segid "ATXH" and resid 37 and name HN )) OR { 107} ( segid "ATXH" and resid 36 and name HG1%) (( segid "ATXH" and resid 37 and name HN )) ASSI { 112} (( segid "ATXH" and resid 24 and name HN )) (( segid "ATXH" and resid 23 and name HN )) 2.600 0.800 0.800 peak 112 spectrum 1 weight 0.10000E+01 volume 0.33450E-02 ppm1 8.267 ppm2 8.574 CV 1 OR { 112} (( segid "ATXH" and resid 22 and name HN )) (( segid "ATXH" and resid 23 and name HN )) ASSI { 118} ( segid "ATXH" and resid 44 and name HG2%) (( segid "ATXH" and resid 45 and name HN )) 2.900 1.100 1.100 peak 118 spectrum 1 weight 0.10000E+01 volume 0.32679E-02 ppm1 8.996 ppm2 0.943 CV 1 OR { 118} (( segid "ATXH" and resid 63 and name HG12)) (( segid "ATXH" and resid 64 and name HN )) OR { 118} ( segid "ATXH" and resid 60 and name HG1%) (( segid "ATXH" and resid 64 and name HN )) ASSI { 120} (( segid "ATXH" and resid 26 and name HB2 )) (( segid "ATXH" and resid 26 and name HN )) 2.600 0.900 0.900 peak 120 spectrum 1 weight 0.10000E+01 volume 0.32240E-02 ppm1 7.528 ppm2 3.914 CV 1 OR { 120} (( segid "ATXH" and resid 25 and name HB2 )) (( segid "ATXH" and resid 26 and name HN )) ASSI { 122} (( segid "ATXH" and resid 24 and name HB3 )) (( segid "ATXH" and resid 38 and name HN )) 2.800 1.000 1.000 peak 122 spectrum 1 weight 0.10000E+01 volume 0.31689E-02 ppm1 9.834 ppm2 1.927 CV 1 OR { 122} (( segid "ATXH" and resid 36 and name HB )) (( segid "ATXH" and resid 38 and name HN )) ASSI { 130} (( segid "ATXH" and resid 63 and name HB )) (( segid "ATXH" and resid 64 and name HN )) 2.600 0.800 0.800 peak 130 spectrum 1 weight 0.10000E+01 volume 0.30369E-02 ppm1 9.005 ppm2 1.770 CV 1 OR { 130} (( segid "ATXH" and resid 45 and name HB )) (( segid "ATXH" and resid 45 and name HN )) ASSI { 134} (( segid "ATXH" and resid 23 and name HN )) (( segid "ATXH" and resid 24 and name HN )) 2.600 0.800 0.800 peak 134 spectrum 1 weight 0.10000E+01 volume 0.30039E-02 ppm1 8.598 ppm2 8.238 CV 1 OR { 134} (( segid "ATXH" and resid 25 and name HN )) (( segid "ATXH" and resid 24 and name HN )) ASSI { 143} ( segid "ATXH" and resid 45 and name HG1%) (( segid "ATXH" and resid 39 and name HN )) 2.900 1.100 1.100 peak 143 spectrum 1 weight 0.10000E+01 volume 0.28718E-02 ppm1 8.891 ppm2 0.784 CV 1 OR { 143} ( segid "ATXH" and resid 38 and name HG2%) (( segid "ATXH" and resid 39 and name HN )) ASSI { 145} (( segid "ATXH" and resid 39 and name HG3 )) (( segid "ATXH" and resid 39 and name HN )) 2.800 1.000 1.000 peak 145 spectrum 1 weight 0.10000E+01 volume 0.28718E-02 ppm1 8.892 ppm2 2.075 CV 1 OR { 145} (( segid "ATXH" and resid 38 and name HB )) (( segid "ATXH" and resid 39 and name HN )) ASSI { 161} (( segid "ATXH" and resid 35 and name HB3 )) (( segid "ATXH" and resid 36 and name HN )) 2.800 1.000 1.000 peak 161 spectrum 1 weight 0.10000E+01 volume 0.25858E-02 ppm1 8.665 ppm2 1.924 CV 1 OR { 161} (( segid "ATXH" and resid 36 and name HB )) (( segid "ATXH" and resid 36 and name HN )) ASSI { 162} (( segid "ATXH" and resid 51 and name HB3 )) (( segid "ATXH" and resid 51 and name HN )) 2.600 0.900 0.900 peak 162 spectrum 1 weight 0.10000E+01 volume 0.25858E-02 ppm1 8.795 ppm2 3.841 CV 1 OR { 162} (( segid "ATXH" and resid 56 and name HA )) (( segid "ATXH" and resid 56 and name HN )) ASSI { 167} ( segid "ATXH" and resid 59 and name HD1%) (( segid "ATXH" and resid 59 and name HN )) 2.900 1.000 1.000 peak 167 spectrum 1 weight 0.10000E+01 volume 0.25417E-02 ppm1 7.360 ppm2 0.732 CV 1 OR { 167} ( segid "ATXH" and resid 59 and name HG2%) (( segid "ATXH" and resid 59 and name HN )) OR { 167} ( segid "ATXH" and resid 54 and name HG2%) (( segid "ATXH" and resid 59 and name HN )) ASSI { 171} (( segid "ATXH" and resid 29 and name HA )) (( segid "ATXH" and resid 29 and name HN )) 2.700 0.900 0.900 peak 171 spectrum 1 weight 0.10000E+01 volume 0.24647E-02 ppm1 6.875 ppm2 4.064 CV 1 OR { 171} (( segid "ATXH" and resid 25 and name HA )) (( segid "ATXH" and resid 29 and name HN )) ASSI { 176} ( segid "ATXH" and resid 36 and name HG2%) (( segid "ATXH" and resid 28 and name HN )) 2.900 1.100 1.100 peak 176 spectrum 1 weight 0.10000E+01 volume 0.23987E-02 ppm1 7.699 ppm2 0.866 CV 1 OR { 176} ( segid "ATXH" and resid 27 and name HG2%) (( segid "ATXH" and resid 28 and name HN )) OR { 176} ( segid "ATXH" and resid 27 and name HG1%) (( segid "ATXH" and resid 28 and name HN )) ASSI { 183} (( segid "ATXH" and resid 27 and name HA )) (( segid "ATXH" and resid 27 and name HN )) 2.700 0.900 0.900 peak 183 spectrum 1 weight 0.10000E+01 volume 0.23437E-02 ppm1 8.177 ppm2 3.676 CV 1 OR { 183} (( segid "ATXH" and resid 26 and name HB3 )) (( segid "ATXH" and resid 27 and name HN )) ASSI { 184} (( segid "ATXH" and resid 19 and name HB2 )) (( segid "ATXH" and resid 19 and name HN )) 2.800 1.000 1.000 peak 184 spectrum 1 weight 0.10000E+01 volume 0.23437E-02 ppm1 7.840 ppm2 3.270 CV 1 OR { 184} (( segid "ATXH" and resid 18 and name HB2 )) (( segid "ATXH" and resid 19 and name HN )) ASSI { 189} (( segid "ATXH" and resid 47 and name HB )) (( segid "ATXH" and resid 48 and name HN )) 3.000 1.100 1.100 peak 189 spectrum 1 weight 0.10000E+01 volume 0.23107E-02 ppm1 8.715 ppm2 1.898 CV 1 OR { 189} (( segid "ATXH" and resid 34 and name HB2 )) (( segid "ATXH" and resid 48 and name HN )) ASSI { 190} (( segid "ATXH" and resid 35 and name HA )) (( segid "ATXH" and resid 35 and name HN )) 2.700 0.900 0.900 peak 190 spectrum 1 weight 0.10000E+01 volume 0.22997E-02 ppm1 7.512 ppm2 4.618 CV 1 OR { 190} (( segid "ATXH" and resid 64 and name HA )) (( segid "ATXH" and resid 66 and name HN )) ASSI { 192} (( segid "ATXH" and resid 19 and name HN )) (( segid "ATXH" and resid 20 and name HN )) 2.800 0.900 0.900 peak 192 spectrum 1 weight 0.10000E+01 volume 0.22777E-02 ppm1 7.018 ppm2 7.839 CV 1 OR { 192} (( segid "ATXH" and resid 21 and name HN )) (( segid "ATXH" and resid 20 and name HN )) ASSI { 197} (( segid "ATXH" and resid 64 and name HA )) (( segid "ATXH" and resid 64 and name HN )) 2.800 1.000 1.000 peak 197 spectrum 1 weight 0.10000E+01 volume 0.22446E-02 ppm1 9.007 ppm2 4.680 CV 1 OR { 197} (( segid "ATXH" and resid 10 and name HA )) (( segid "ATXH" and resid 45 and name HN )) ASSI { 198} ( segid "ATXH" and resid 60 and name HG2%) (( segid "ATXH" and resid 61 and name HN )) 3.200 1.300 1.300 peak 198 spectrum 1 weight 0.10000E+01 volume 0.22336E-02 ppm1 7.709 ppm2 0.852 CV 1 OR { 198} ( segid "ATXH" and resid 62 and name HG2%) (( segid "ATXH" and resid 61 and name HN )) ASSI { 204} (( segid "ATXH" and resid 4 and name HB2 )) (( segid "ATXH" and resid 5 and name HN )) 2.800 1.000 1.000 peak 204 spectrum 1 weight 0.10000E+01 volume 0.21456E-02 ppm1 9.160 ppm2 1.963 CV 1 OR { 204} (( segid "ATXH" and resid 5 and name HB2 )) (( segid "ATXH" and resid 5 and name HN )) ASSI { 209} ( segid "ATXH" and resid 47 and name HG1%) (( segid "ATXH" and resid 35 and name HN )) 2.800 1.000 1.000 peak 209 spectrum 1 weight 0.10000E+01 volume 0.20686E-02 ppm1 7.511 ppm2 0.843 CV 1 OR { 209} ( segid "ATXH" and resid 33 and name HG1%) (( segid "ATXH" and resid 35 and name HN )) ASSI { 213} (( segid "ATXH" and resid 63 and name HB )) (( segid "ATXH" and resid 61 and name HN )) 3.000 3.000 3.000 peak 213 spectrum 1 weight 0.10000E+01 volume 0.20246E-02 ppm1 7.711 ppm2 1.793 CV 1 OR { 213} (( segid "ATXH" and resid 57 and name HB2 )) (( segid "ATXH" and resid 61 and name HN )) ASSI { 214} ( segid "ATXH" and resid 45 and name HG2%) (( segid "ATXH" and resid 46 and name HN )) 3.300 1.400 1.400 peak 214 spectrum 1 weight 0.10000E+01 volume 0.20026E-02 ppm1 9.027 ppm2 0.590 CV 1 OR { 214} ( segid "ATXH" and resid 45 and name HG2%) (( segid "ATXH" and resid 37 and name HN )) ASSI { 232} ( segid "ATXH" and resid 49 and name HG2%) (( segid "ATXH" and resid 48 and name HN )) 3.000 1.100 1.100 peak 232 spectrum 1 weight 0.10000E+01 volume 0.18595E-02 ppm1 8.713 ppm2 0.708 CV 1 OR { 232} ( segid "ATXH" and resid 45 and name HG1%) (( segid "ATXH" and resid 48 and name HN )) ASSI { 234} (( segid "ATXH" and resid 6 and name HG2 )) (( segid "ATXH" and resid 6 and name HN )) 3.300 1.300 1.300 peak 234 spectrum 1 weight 0.10000E+01 volume 0.18265E-02 ppm1 8.621 ppm2 2.196 CV 1 OR { 234} (( segid "ATXH" and resid 5 and name HG2 )) (( segid "ATXH" and resid 6 and name HN )) ASSI { 245} ( segid "ATXH" and resid 45 and name HG2%) (( segid "ATXH" and resid 45 and name HN )) 3.000 1.100 1.100 peak 245 spectrum 1 weight 0.10000E+01 volume 0.17055E-02 ppm1 8.998 ppm2 0.587 CV 1 OR { 245} (( segid "ATXH" and resid 63 and name HG13)) (( segid "ATXH" and resid 64 and name HN )) OR { 245} ( segid "ATXH" and resid 63 and name HD1%) (( segid "ATXH" and resid 64 and name HN )) ASSI { 248} (( segid "ATXH" and resid 42 and name HG3 )) (( segid "ATXH" and resid 42 and name HN )) 3.200 1.300 1.300 peak 248 spectrum 1 weight 0.10000E+01 volume 0.16945E-02 ppm1 7.561 ppm2 2.297 CV 1 OR { 248} (( segid "ATXH" and resid 39 and name HB2 )) (( segid "ATXH" and resid 42 and name HN )) ASSI { 255} ( segid "ATXH" and resid 55 and name HG2%) (( segid "ATXH" and resid 58 and name HN )) 3.300 1.300 1.300 peak 255 spectrum 1 weight 0.10000E+01 volume 0.16285E-02 ppm1 7.583 ppm2 1.170 CV 1 OR { 255} (( segid "ATXH" and resid 59 and name HG13)) (( segid "ATXH" and resid 58 and name HN )) ASSI { 261} (( segid "ATXH" and resid 71 and name HG2 )) (( segid "ATXH" and resid 71 and name HN )) 3.000 1.200 1.200 peak 261 spectrum 1 weight 0.10000E+01 volume 0.15625E-02 ppm1 8.788 ppm2 2.263 CV 1 OR { 261} (( segid "ATXH" and resid 10 and name HG3 )) (( segid "ATXH" and resid 71 and name HN )) OR { 261} (( segid "ATXH" and resid 71 and name HG3 )) (( segid "ATXH" and resid 71 and name HN )) ASSI { 269} (( segid "ATXH" and resid 12 and name HG2 )) (( segid "ATXH" and resid 12 and name HN )) 3.000 1.100 1.100 peak 269 spectrum 1 weight 0.10000E+01 volume 0.14744E-02 ppm1 9.282 ppm2 2.276 CV 1 OR { 269} (( segid "ATXH" and resid 68 and name HB3 )) (( segid "ATXH" and resid 12 and name HN )) ASSI { 274} ( segid "ATXH" and resid 30 and name HD1%) (( segid "ATXH" and resid 58 and name HN )) 3.200 1.300 1.300 peak 274 spectrum 1 weight 0.10000E+01 volume 0.14084E-02 ppm1 7.578 ppm2 0.852 CV 1 OR { 274} (( segid "ATXH" and resid 56 and name HG )) (( segid "ATXH" and resid 58 and name HN )) OR { 274} ( segid "ATXH" and resid 56 and name HD1%) (( segid "ATXH" and resid 58 and name HN )) OR { 274} ( segid "ATXH" and resid 56 and name HD2%) (( segid "ATXH" and resid 58 and name HN )) OR { 274} ( segid "ATXH" and resid 60 and name HG2%) (( segid "ATXH" and resid 58 and name HN )) ASSI { 276} ( segid "ATXH" and resid 20 and name HG2%) (( segid "ATXH" and resid 24 and name HN )) 3.200 1.200 1.200 peak 276 spectrum 1 weight 0.10000E+01 volume 0.13974E-02 ppm1 8.599 ppm2 0.884 CV 1 OR { 276} ( segid "ATXH" and resid 36 and name HG2%) (( segid "ATXH" and resid 24 and name HN )) OR { 276} ( segid "ATXH" and resid 27 and name HG2%) (( segid "ATXH" and resid 24 and name HN )) ASSI { 281} (( segid "ATXH" and resid 63 and name HG12)) (( segid "ATXH" and resid 63 and name HN )) 3.600 1.700 1.700 peak 281 spectrum 1 weight 0.10000E+01 volume 0.13314E-02 ppm1 7.635 ppm2 0.890 CV 1 OR { 281} ( segid "ATXH" and resid 62 and name HG2%) (( segid "ATXH" and resid 63 and name HN )) ASSI { 290} (( segid "ATXH" and resid 13 and name HA2 )) (( segid "ATXH" and resid 14 and name HN )) 3.300 1.300 1.300 peak 290 spectrum 1 weight 0.10000E+01 volume 0.12984E-02 ppm1 8.889 ppm2 4.625 CV 1 OR { 290} (( segid "ATXH" and resid 12 and name HA )) (( segid "ATXH" and resid 14 and name HN )) ASSI { 295} (( segid "ATXH" and resid 57 and name HA )) (( segid "ATXH" and resid 61 and name HN )) 3.200 1.300 1.300 peak 295 spectrum 1 weight 0.10000E+01 volume 0.12654E-02 ppm1 7.710 ppm2 3.853 CV 1 OR { 295} (( segid "ATXH" and resid 62 and name HA )) (( segid "ATXH" and resid 61 and name HN )) ASSI { 303} (( segid "ATXH" and resid 9 and name HB2 )) (( segid "ATXH" and resid 45 and name HN )) 3.200 3.200 2.800 peak 303 spectrum 1 weight 0.10000E+01 volume 0.12103E-02 ppm1 8.976 ppm2 1.563 CV 1 OR { 303} (( segid "ATXH" and resid 23 and name HG12)) (( segid "ATXH" and resid 64 and name HN )) OR { 303} (( segid "ATXH" and resid 23 and name HG13)) (( segid "ATXH" and resid 64 and name HN )) ASSI { 304} ( segid "ATXH" and resid 9 and name HD2%) (( segid "ATXH" and resid 10 and name HN )) 3.400 1.500 1.500 peak 304 spectrum 1 weight 0.10000E+01 volume 0.12103E-02 ppm1 9.034 ppm2 0.724 CV 1 OR { 304} ( segid "ATXH" and resid 11 and name HG2%) (( segid "ATXH" and resid 10 and name HN )) ASSI { 305} (( segid "ATXH" and resid 57 and name HA )) (( segid "ATXH" and resid 60 and name HN )) 3.100 1.200 1.200 peak 305 spectrum 1 weight 0.10000E+01 volume 0.12103E-02 ppm1 8.537 ppm2 3.855 CV 1 OR { 305} (( segid "ATXH" and resid 56 and name HA )) (( segid "ATXH" and resid 60 and name HN )) ASSI { 312} (( segid "ATXH" and resid 7 and name HB2 )) (( segid "ATXH" and resid 47 and name HN )) 3.100 1.200 1.200 peak 312 spectrum 1 weight 0.10000E+01 volume 0.11773E-02 ppm1 9.162 ppm2 1.576 CV 1 OR { 312} (( segid "ATXH" and resid 9 and name HB2 )) (( segid "ATXH" and resid 47 and name HN )) ASSI { 314} (( segid "ATXH" and resid 5 and name HB3 )) (( segid "ATXH" and resid 49 and name HN )) 3.300 1.400 1.400 peak 314 spectrum 1 weight 0.10000E+01 volume 0.11554E-02 ppm1 9.252 ppm2 1.864 CV 1 OR { 314} ( segid "ATXH" and resid 4 and name HE% ) (( segid "ATXH" and resid 49 and name HN )) OR { 314} (( segid "ATXH" and resid 47 and name HB )) (( segid "ATXH" and resid 49 and name HN )) OR { 314} (( segid "ATXH" and resid 6 and name HB3 )) (( segid "ATXH" and resid 49 and name HN )) ASSI { 315} (( segid "ATXH" and resid 41 and name HA )) (( segid "ATXH" and resid 42 and name HN )) 3.300 1.300 1.300 peak 315 spectrum 1 weight 0.10000E+01 volume 0.11554E-02 ppm1 7.559 ppm2 4.025 CV 1 OR { 315} (( segid "ATXH" and resid 43 and name HA2 )) (( segid "ATXH" and resid 42 and name HN )) ASSI { 325} (( segid "ATXH" and resid 47 and name HB )) (( segid "ATXH" and resid 47 and name HN )) 3.100 1.200 1.200 peak 325 spectrum 1 weight 0.10000E+01 volume 0.10794E-02 ppm1 9.161 ppm2 1.896 CV 1 OR { 325} (( segid "ATXH" and resid 46 and name HB3 )) (( segid "ATXH" and resid 47 and name HN )) ASSI { 327} ( segid "ATXH" and resid 3 and name HB% ) (( segid "ATXH" and resid 51 and name HN )) 3.100 1.200 1.200 peak 327 spectrum 1 weight 0.10000E+01 volume 0.10684E-02 ppm1 8.794 ppm2 1.390 CV 1 OR { 327} (( segid "ATXH" and resid 49 and name HG13)) (( segid "ATXH" and resid 51 and name HN )) ASSI { 331} (( segid "ATXH" and resid 42 and name HB2 )) (( segid "ATXH" and resid 44 and name HN )) 3.300 1.300 1.300 peak 331 spectrum 1 weight 0.10000E+01 volume 0.10563E-02 ppm1 7.597 ppm2 2.082 CV 1 OR { 331} (( segid "ATXH" and resid 39 and name HG3 )) (( segid "ATXH" and resid 44 and name HN )) ASSI { 332} (( segid "ATXH" and resid 33 and name HB )) (( segid "ATXH" and resid 34 and name HN )) 3.500 1.500 1.500 peak 332 spectrum 1 weight 0.10000E+01 volume 0.10563E-02 ppm1 8.788 ppm2 2.219 CV 1 OR { 332} (( segid "ATXH" and resid 34 and name HG2 )) (( segid "ATXH" and resid 34 and name HN )) ASSI { 336} (( segid "ATXH" and resid 22 and name HA )) (( segid "ATXH" and resid 22 and name HN )) 3.200 1.300 1.300 peak 336 spectrum 1 weight 0.10000E+01 volume 0.10255E-02 ppm1 8.534 ppm2 4.089 CV 1 OR { 336} (( segid "ATXH" and resid 19 and name HA )) (( segid "ATXH" and resid 22 and name HN )) ASSI { 339} (( segid "ATXH" and resid 30 and name HB2 )) (( segid "ATXH" and resid 33 and name HN )) 3.500 1.500 1.500 peak 339 spectrum 1 weight 0.10000E+01 volume 0.10035E-02 ppm1 7.524 ppm2 2.008 CV 1 OR { 339} (( segid "ATXH" and resid 53 and name HB )) (( segid "ATXH" and resid 33 and name HN )) ASSI { 342} (( segid "ATXH" and resid 32 and name HA2 )) (( segid "ATXH" and resid 54 and name HN )) 3.200 1.300 1.300 peak 342 spectrum 1 weight 0.10000E+01 volume 0.98696E-03 ppm1 8.016 ppm2 4.181 CV 1 OR { 342} (( segid "ATXH" and resid 53 and name HA )) (( segid "ATXH" and resid 54 and name HN )) ASSI { 347} (( segid "ATXH" and resid 46 and name HG2 )) (( segid "ATXH" and resid 46 and name HN )) 3.500 1.500 1.500 peak 347 spectrum 1 weight 0.10000E+01 volume 0.95725E-03 ppm1 9.030 ppm2 2.161 CV 1 OR { 347} (( segid "ATXH" and resid 39 and name HG2 )) (( segid "ATXH" and resid 46 and name HN )) ASSI { 351} ( segid "ATXH" and resid 59 and name HD1%) (( segid "ATXH" and resid 58 and name HN )) 3.400 1.500 1.500 peak 351 spectrum 1 weight 0.10000E+01 volume 0.94408E-03 ppm1 7.583 ppm2 0.721 CV 1 OR { 351} ( segid "ATXH" and resid 54 and name HG2%) (( segid "ATXH" and resid 58 and name HN )) ASSI { 353} ( segid "ATXH" and resid 63 and name HG2%) (( segid "ATXH" and resid 63 and name HN )) 3.700 1.700 1.700 peak 353 spectrum 1 weight 0.10000E+01 volume 0.92977E-03 ppm1 7.636 ppm2 0.762 CV 1 OR { 353} ( segid "ATXH" and resid 59 and name HG2%) (( segid "ATXH" and resid 63 and name HN )) ASSI { 355} ( segid "ATXH" and resid 49 and name HD1%) (( segid "ATXH" and resid 51 and name HN )) 3.200 1.300 1.300 peak 355 spectrum 1 weight 0.10000E+01 volume 0.92430E-03 ppm1 8.795 ppm2 0.666 CV 1 OR { 355} ( segid "ATXH" and resid 49 and name HD1%) (( segid "ATXH" and resid 56 and name HN )) ASSI { 357} (( segid "ATXH" and resid 57 and name HA )) (( segid "ATXH" and resid 58 and name HN )) 3.300 1.300 1.300 peak 357 spectrum 1 weight 0.10000E+01 volume 0.92099E-03 ppm1 7.582 ppm2 3.853 CV 1 OR { 357} (( segid "ATXH" and resid 56 and name HA )) (( segid "ATXH" and resid 58 and name HN )) ASSI { 366} (( segid "ATXH" and resid 60 and name HB )) (( segid "ATXH" and resid 62 and name HN )) 3.600 1.600 1.600 peak 366 spectrum 1 weight 0.10000E+01 volume 0.89675E-03 ppm1 7.188 ppm2 2.029 CV 1 OR { 366} (( segid "ATXH" and resid 59 and name HB )) (( segid "ATXH" and resid 62 and name HN )) ASSI { 373} (( segid "ATXH" and resid 19 and name HB3 )) (( segid "ATXH" and resid 20 and name HN )) 3.500 1.500 1.500 peak 373 spectrum 1 weight 0.10000E+01 volume 0.84948E-03 ppm1 7.017 ppm2 2.767 CV 1 OR { 373} (( segid "ATXH" and resid 21 and name HB2 )) (( segid "ATXH" and resid 20 and name HN )) ASSI { 374} ( segid "ATXH" and resid 62 and name HG1%) (( segid "ATXH" and resid 30 and name HN )) 3.000 3.000 3.000 peak 374 spectrum 1 weight 0.10000E+01 volume 0.83732E-03 ppm1 7.448 ppm2 1.165 CV 1 OR { 374} ( segid "ATXH" and resid 54 and name HG1%) (( segid "ATXH" and resid 30 and name HN )) ASSI { 381} (( segid "ATXH" and resid 28 and name HB3 )) (( segid "ATXH" and resid 26 and name HN )) 3.700 1.700 1.700 peak 381 spectrum 1 weight 0.10000E+01 volume 0.82301E-03 ppm1 7.527 ppm2 1.888 CV 1 OR { 381} (( segid "ATXH" and resid 24 and name HB3 )) (( segid "ATXH" and resid 26 and name HN )) ASSI { 382} (( segid "ATXH" and resid 56 and name HA )) (( segid "ATXH" and resid 59 and name HN )) 3.300 1.400 1.400 peak 382 spectrum 1 weight 0.10000E+01 volume 0.81862E-03 ppm1 7.361 ppm2 3.871 CV 1 OR { 382} (( segid "ATXH" and resid 57 and name HA )) (( segid "ATXH" and resid 59 and name HN )) ASSI { 391} (( segid "ATXH" and resid 37 and name HB3 )) (( segid "ATXH" and resid 37 and name HN )) 3.600 1.600 1.600 peak 391 spectrum 1 weight 0.10000E+01 volume 0.78013E-03 ppm1 8.993 ppm2 1.595 CV 1 OR { 391} (( segid "ATXH" and resid 37 and name HB3 )) (( segid "ATXH" and resid 46 and name HN )) OR { 391} (( segid "ATXH" and resid 37 and name HD3 )) (( segid "ATXH" and resid 37 and name HN )) ASSI { 394} (( segid "ATXH" and resid 52 and name HN )) (( segid "ATXH" and resid 54 and name HN )) 3.700 1.700 1.700 peak 394 spectrum 1 weight 0.10000E+01 volume 0.76473E-03 ppm1 8.011 ppm2 8.774 CV 1 OR { 394} (( segid "ATXH" and resid 51 and name HN )) (( segid "ATXH" and resid 54 and name HN )) ASSI { 396} (( segid "ATXH" and resid 59 and name HA )) (( segid "ATXH" and resid 62 and name HN )) 3.400 1.500 1.500 peak 396 spectrum 1 weight 0.10000E+01 volume 0.75811E-03 ppm1 7.187 ppm2 3.492 CV 1 OR { 396} (( segid "ATXH" and resid 63 and name HA )) (( segid "ATXH" and resid 62 and name HN )) ASSI { 397} (( segid "ATXH" and resid 64 and name HA )) (( segid "ATXH" and resid 70 and name HN )) 3.500 1.500 1.500 peak 397 spectrum 1 weight 0.10000E+01 volume 0.75481E-03 ppm1 9.463 ppm2 4.658 CV 1 OR { 397} (( segid "ATXH" and resid 68 and name HA )) (( segid "ATXH" and resid 70 and name HN )) ASSI { 415} (( segid "ATXH" and resid 59 and name HB )) (( segid "ATXH" and resid 58 and name HN )) 3.700 1.700 1.700 peak 415 spectrum 1 weight 0.10000E+01 volume 0.69653E-03 ppm1 7.584 ppm2 2.004 CV 1 OR { 415} (( segid "ATXH" and resid 60 and name HB )) (( segid "ATXH" and resid 58 and name HN )) ASSI { 417} ( segid "ATXH" and resid 62 and name HG2%) (( segid "ATXH" and resid 65 and name HN )) 3.700 1.700 1.700 peak 417 spectrum 1 weight 0.10000E+01 volume 0.68107E-03 ppm1 8.422 ppm2 0.851 CV 1 OR { 417} ( segid "ATXH" and resid 60 and name HG2%) (( segid "ATXH" and resid 65 and name HN )) ASSI { 422} (( segid "ATXH" and resid 21 and name HA )) (( segid "ATXH" and resid 22 and name HN )) 3.500 1.500 1.500 peak 422 spectrum 1 weight 0.10000E+01 volume 0.65469E-03 ppm1 8.534 ppm2 4.455 CV 1 OR { 422} (( segid "ATXH" and resid 18 and name HA )) (( segid "ATXH" and resid 22 and name HN )) ASSI { 434} (( segid "ATXH" and resid 45 and name HN )) (( segid "ATXH" and resid 11 and name HN )) 3.900 1.900 1.900 peak 434 spectrum 1 weight 0.10000E+01 volume 0.61178E-03 ppm1 8.526 ppm2 8.995 CV 1 OR { 434} (( segid "ATXH" and resid 10 and name HN )) (( segid "ATXH" and resid 11 and name HN )) ASSI { 440} ( segid "ATXH" and resid 45 and name HG1%) (( segid "ATXH" and resid 44 and name HN )) 3.200 1.300 1.300 peak 440 spectrum 1 weight 0.10000E+01 volume 0.60297E-03 ppm1 7.592 ppm2 0.767 CV 1 OR { 440} ( segid "ATXH" and resid 40 and name HD2%) (( segid "ATXH" and resid 44 and name HN )) ASSI { 444} (( segid "ATXH" and resid 27 and name HA )) (( segid "ATXH" and resid 29 and name HN )) 3.600 1.600 1.600 peak 444 spectrum 1 weight 0.10000E+01 volume 0.59087E-03 ppm1 6.873 ppm2 3.680 CV 1 OR { 444} (( segid "ATXH" and resid 26 and name HB3 )) (( segid "ATXH" and resid 29 and name HN )) ASSI { 452} (( segid "ATXH" and resid 6 and name HG2 )) (( segid "ATXH" and resid 49 and name HN )) 3.900 1.900 1.900 peak 452 spectrum 1 weight 0.10000E+01 volume 0.55677E-03 ppm1 9.248 ppm2 2.181 CV 1 OR { 452} (( segid "ATXH" and resid 5 and name HG2 )) (( segid "ATXH" and resid 49 and name HN )) ASSI { 455} (( segid "ATXH" and resid 66 and name HB2 )) (( segid "ATXH" and resid 68 and name HN )) 3.800 1.800 1.800 peak 455 spectrum 1 weight 0.10000E+01 volume 0.54466E-03 ppm1 6.768 ppm2 2.478 CV 1 OR { 455} (( segid "ATXH" and resid 64 and name HG3 )) (( segid "ATXH" and resid 68 and name HN )) OR { 455} (( segid "ATXH" and resid 66 and name HG2 )) (( segid "ATXH" and resid 68 and name HN )) ASSI { 457} (( segid "ATXH" and resid 22 and name HA )) (( segid "ATXH" and resid 23 and name HN )) 3.700 1.700 1.700 peak 457 spectrum 1 weight 0.10000E+01 volume 0.53805E-03 ppm1 8.267 ppm2 4.090 CV 1 OR { 457} (( segid "ATXH" and resid 19 and name HA )) (( segid "ATXH" and resid 23 and name HN )) ASSI { 458} (( segid "ATXH" and resid 32 and name HA2 )) (( segid "ATXH" and resid 50 and name HN )) 3.600 1.600 1.600 peak 458 spectrum 1 weight 0.10000E+01 volume 0.53366E-03 ppm1 8.532 ppm2 4.219 CV 1 OR { 458} (( segid "ATXH" and resid 61 and name HA )) (( segid "ATXH" and resid 60 and name HN )) ASSI { 459} (( segid "ATXH" and resid 51 and name HB2 )) (( segid "ATXH" and resid 52 and name HN )) 3.900 1.900 1.900 peak 459 spectrum 1 weight 0.10000E+01 volume 0.53256E-03 ppm1 8.773 ppm2 4.181 CV 1 OR { 459} (( segid "ATXH" and resid 53 and name HA )) (( segid "ATXH" and resid 52 and name HN )) ASSI { 463} ( segid "ATXH" and resid 45 and name HG2%) (( segid "ATXH" and resid 47 and name HN )) 3.700 1.700 1.700 peak 463 spectrum 1 weight 0.10000E+01 volume 0.50725E-03 ppm1 9.160 ppm2 0.626 CV 1 OR { 463} ( segid "ATXH" and resid 9 and name HD1%) (( segid "ATXH" and resid 47 and name HN )) OR { 463} (( segid "ATXH" and resid 9 and name HG )) (( segid "ATXH" and resid 47 and name HN )) ASSI { 475} (( segid "ATXH" and resid 40 and name HA )) (( segid "ATXH" and resid 20 and name HN )) 3.900 1.900 1.900 peak 475 spectrum 1 weight 0.10000E+01 volume 0.47534E-03 ppm1 7.016 ppm2 3.811 CV 1 OR { 475} (( segid "ATXH" and resid 15 and name HB3 )) (( segid "ATXH" and resid 20 and name HN )) ASSI { 477} (( segid "ATXH" and resid 28 and name HB3 )) (( segid "ATXH" and resid 27 and name HN )) 4.100 2.100 1.900 peak 477 spectrum 1 weight 0.10000E+01 volume 0.46434E-03 ppm1 8.179 ppm2 1.860 CV 1 OR { 477} (( segid "ATXH" and resid 28 and name HB2 )) (( segid "ATXH" and resid 27 and name HN )) OR { 477} (( segid "ATXH" and resid 36 and name HB )) (( segid "ATXH" and resid 27 and name HN )) ASSI { 479} (( segid "ATXH" and resid 6 and name HB3 )) (( segid "ATXH" and resid 7 and name HN )) 3.800 1.800 1.800 peak 479 spectrum 1 weight 0.10000E+01 volume 0.44673E-03 ppm1 9.258 ppm2 1.868 CV 1 OR { 479} (( segid "ATXH" and resid 47 and name HB )) (( segid "ATXH" and resid 7 and name HN )) ASSI { 480} ( segid "ATXH" and resid 22 and name HB% ) (( segid "ATXH" and resid 25 and name HN )) 3.900 1.900 1.900 peak 480 spectrum 1 weight 0.10000E+01 volume 0.44673E-03 ppm1 8.210 ppm2 1.611 CV 1 OR { 480} (( segid "ATXH" and resid 23 and name HB )) (( segid "ATXH" and resid 25 and name HN )) OR { 480} (( segid "ATXH" and resid 23 and name HG12)) (( segid "ATXH" and resid 25 and name HN )) ASSI { 490} (( segid "ATXH" and resid 27 and name HN )) (( segid "ATXH" and resid 29 and name HN )) 3.900 1.900 1.900 peak 490 spectrum 1 weight 0.10000E+01 volume 0.42362E-03 ppm1 6.877 ppm2 8.179 CV 1 OR { 490} (( segid "ATXH" and resid 25 and name HN )) (( segid "ATXH" and resid 29 and name HN )) ASSI { 491} ( segid "ATXH" and resid 36 and name HG2%) (( segid "ATXH" and resid 37 and name HN )) 4.000 2.000 2.000 peak 491 spectrum 1 weight 0.10000E+01 volume 0.42032E-03 ppm1 8.994 ppm2 0.858 CV 1 OR { 491} ( segid "ATXH" and resid 47 and name HG1%) (( segid "ATXH" and resid 37 and name HN )) OR { 491} ( segid "ATXH" and resid 38 and name HG2%) (( segid "ATXH" and resid 46 and name HN )) OR { 491} ( segid "ATXH" and resid 27 and name HG1%) (( segid "ATXH" and resid 37 and name HN )) ASSI { 492} (( segid "ATXH" and resid 9 and name HN )) (( segid "ATXH" and resid 8 and name HN )) 4.000 2.000 2.000 peak 492 spectrum 1 weight 0.10000E+01 volume 0.42032E-03 ppm1 8.804 ppm2 9.278 CV 1 OR { 492} (( segid "ATXH" and resid 7 and name HN )) (( segid "ATXH" and resid 8 and name HN )) ASSI { 493} ( segid "ATXH" and resid 38 and name HG2%) (( segid "ATXH" and resid 38 and name HN )) 3.800 1.800 1.800 peak 493 spectrum 1 weight 0.10000E+01 volume 0.41702E-03 ppm1 9.833 ppm2 0.782 CV 1 OR { 493} ( segid "ATXH" and resid 45 and name HG1%) (( segid "ATXH" and resid 38 and name HN )) ASSI { 495} ( segid "ATXH" and resid 30 and name HD2%) (( segid "ATXH" and resid 29 and name HN )) 3.600 1.600 1.600 peak 495 spectrum 1 weight 0.10000E+01 volume 0.41262E-03 ppm1 6.876 ppm2 0.867 CV 1 OR { 495} ( segid "ATXH" and resid 27 and name HG2%) (( segid "ATXH" and resid 29 and name HN )) OR { 495} ( segid "ATXH" and resid 33 and name HG1%) (( segid "ATXH" and resid 29 and name HN )) OR { 495} ( segid "ATXH" and resid 27 and name HG1%) (( segid "ATXH" and resid 29 and name HN )) ASSI { 496} ( segid "ATXH" and resid 62 and name HG1%) (( segid "ATXH" and resid 61 and name HN )) 4.200 2.200 1.800 peak 496 spectrum 1 weight 0.10000E+01 volume 0.41042E-03 ppm1 7.710 ppm2 1.153 CV 1 OR { 496} (( segid "ATXH" and resid 59 and name HG13)) (( segid "ATXH" and resid 61 and name HN )) ASSI { 500} (( segid "ATXH" and resid 57 and name HN )) (( segid "ATXH" and resid 59 and name HN )) 3.900 1.900 1.900 peak 500 spectrum 1 weight 0.10000E+01 volume 0.39942E-03 ppm1 7.366 ppm2 8.090 CV 1 OR { 500} (( segid "ATXH" and resid 55 and name HN )) (( segid "ATXH" and resid 59 and name HN )) ASSI { 503} ( segid "ATXH" and resid 63 and name HD1%) (( segid "ATXH" and resid 27 and name HN )) 3.800 1.800 1.800 peak 503 spectrum 1 weight 0.10000E+01 volume 0.39611E-03 ppm1 8.175 ppm2 0.574 CV 1 OR { 503} (( segid "ATXH" and resid 63 and name HG13)) (( segid "ATXH" and resid 27 and name HN )) OR { 503} ( segid "ATXH" and resid 23 and name HG2%) (( segid "ATXH" and resid 27 and name HN )) ASSI { 506} (( segid "ATXH" and resid 24 and name HB2 )) (( segid "ATXH" and resid 26 and name HN )) 4.100 2.100 1.900 peak 506 spectrum 1 weight 0.10000E+01 volume 0.39061E-03 ppm1 7.529 ppm2 2.072 CV 1 OR { 506} (( segid "ATXH" and resid 27 and name HB )) (( segid "ATXH" and resid 26 and name HN )) ASSI { 509} ( segid "ATXH" and resid 44 and name HG2%) (( segid "ATXH" and resid 10 and name HN )) 3.900 1.900 1.900 peak 509 spectrum 1 weight 0.10000E+01 volume 0.38291E-03 ppm1 9.036 ppm2 0.954 CV 1 OR { 509} ( segid "ATXH" and resid 70 and name HG1%) (( segid "ATXH" and resid 10 and name HN )) ASSI { 514} (( segid "ATXH" and resid 20 and name HA )) (( segid "ATXH" and resid 23 and name HN )) 3.900 1.900 1.900 peak 514 spectrum 1 weight 0.10000E+01 volume 0.37081E-03 ppm1 8.269 ppm2 3.238 CV 1 OR { 514} (( segid "ATXH" and resid 19 and name HB2 )) (( segid "ATXH" and resid 23 and name HN )) ASSI { 515} (( segid "ATXH" and resid 12 and name HG2 )) (( segid "ATXH" and resid 13 and name HN )) 4.000 2.000 2.000 peak 515 spectrum 1 weight 0.10000E+01 volume 0.36860E-03 ppm1 8.569 ppm2 2.285 CV 1 OR { 515} (( segid "ATXH" and resid 14 and name HB2 )) (( segid "ATXH" and resid 13 and name HN )) ASSI { 518} (( segid "ATXH" and resid 37 and name HB3 )) (( segid "ATXH" and resid 36 and name HN )) 3.900 1.900 1.900 peak 518 spectrum 1 weight 0.10000E+01 volume 0.36201E-03 ppm1 8.628 ppm2 1.561 CV 1 OR { 518} (( segid "ATXH" and resid 7 and name HB2 )) (( segid "ATXH" and resid 6 and name HN )) ASSI { 519} (( segid "ATXH" and resid 23 and name HG12)) (( segid "ATXH" and resid 26 and name HN )) 4.100 2.100 1.900 peak 519 spectrum 1 weight 0.10000E+01 volume 0.36201E-03 ppm1 7.528 ppm2 1.600 CV 1 OR { 519} (( segid "ATXH" and resid 23 and name HG13)) (( segid "ATXH" and resid 26 and name HN )) OR { 519} ( segid "ATXH" and resid 22 and name HB% ) (( segid "ATXH" and resid 26 and name HN )) OR { 519} (( segid "ATXH" and resid 23 and name HB )) (( segid "ATXH" and resid 26 and name HN )) ASSI { 522} ( segid "ATXH" and resid 33 and name HG2%) (( segid "ATXH" and resid 36 and name HN )) 4.000 2.000 2.000 peak 522 spectrum 1 weight 0.10000E+01 volume 0.35540E-03 ppm1 8.667 ppm2 0.635 CV 1 OR { 522} ( segid "ATXH" and resid 9 and name HD1%) (( segid "ATXH" and resid 36 and name HN )) ASSI { 523} ( segid "ATXH" and resid 63 and name HG2%) (( segid "ATXH" and resid 23 and name HN )) 3.900 1.900 1.900 peak 523 spectrum 1 weight 0.10000E+01 volume 0.35320E-03 ppm1 8.268 ppm2 0.775 CV 1 OR { 523} ( segid "ATXH" and resid 45 and name HG1%) (( segid "ATXH" and resid 23 and name HN )) ASSI { 524} (( segid "ATXH" and resid 17 and name HA2 )) (( segid "ATXH" and resid 17 and name HN )) 3.800 1.800 1.800 peak 524 spectrum 1 weight 0.10000E+01 volume 0.35100E-03 ppm1 8.523 ppm2 4.321 CV 1 OR { 524} (( segid "ATXH" and resid 16 and name HA )) (( segid "ATXH" and resid 17 and name HN )) ASSI { 535} (( segid "ATXH" and resid 11 and name HB )) (( segid "ATXH" and resid 14 and name HN )) 4.000 2.000 2.000 peak 535 spectrum 1 weight 0.10000E+01 volume 0.32789E-03 ppm1 8.889 ppm2 1.632 CV 1 OR { 535} (( segid "ATXH" and resid 23 and name HB )) (( segid "ATXH" and resid 14 and name HN )) ASSI { 537} ( segid "ATXH" and resid 14 and name HE% ) (( segid "ATXH" and resid 39 and name HN )) 3.900 1.900 1.900 peak 537 spectrum 1 weight 0.10000E+01 volume 0.32019E-03 ppm1 8.894 ppm2 1.776 CV 1 OR { 537} (( segid "ATXH" and resid 37 and name HB2 )) (( segid "ATXH" and resid 39 and name HN )) ASSI { 546} (( segid "ATXH" and resid 53 and name HB )) (( segid "ATXH" and resid 52 and name HN )) 4.200 2.300 1.800 peak 546 spectrum 1 weight 0.10000E+01 volume 0.31139E-03 ppm1 8.773 ppm2 1.993 CV 1 OR { 546} (( segid "ATXH" and resid 5 and name HG3 )) (( segid "ATXH" and resid 52 and name HN )) ASSI { 554} (( segid "ATXH" and resid 49 and name HB )) (( segid "ATXH" and resid 55 and name HN )) 4.200 2.200 1.800 peak 554 spectrum 1 weight 0.10000E+01 volume 0.29379E-03 ppm1 8.078 ppm2 1.569 CV 1 OR { 554} (( segid "ATXH" and resid 56 and name HB3 )) (( segid "ATXH" and resid 55 and name HN )) ASSI { 556} ( segid "ATXH" and resid 11 and name HG1%) (( segid "ATXH" and resid 43 and name HN )) 4.100 2.100 1.900 peak 556 spectrum 1 weight 0.10000E+01 volume 0.28718E-03 ppm1 7.938 ppm2 0.626 CV 1 OR { 556} ( segid "ATXH" and resid 45 and name HG2%) (( segid "ATXH" and resid 43 and name HN )) ASSI { 558} (( segid "ATXH" and resid 64 and name HG2 )) (( segid "ATXH" and resid 63 and name HN )) 4.000 2.000 2.000 peak 558 spectrum 1 weight 0.10000E+01 volume 0.28498E-03 ppm1 7.634 ppm2 2.679 CV 1 OR { 558} (( segid "ATXH" and resid 65 and name HB3 )) (( segid "ATXH" and resid 63 and name HN )) ASSI { 571} ( segid "ATXH" and resid 44 and name HG2%) (( segid "ATXH" and resid 42 and name HN )) 3.900 1.900 1.900 peak 571 spectrum 1 weight 0.10000E+01 volume 0.25968E-03 ppm1 7.563 ppm2 0.941 CV 1 OR { 571} ( segid "ATXH" and resid 38 and name HG1%) (( segid "ATXH" and resid 42 and name HN )) OR { 571} ( segid "ATXH" and resid 20 and name HG2%) (( segid "ATXH" and resid 42 and name HN )) ASSI { 573} (( segid "ATXH" and resid 22 and name HN )) (( segid "ATXH" and resid 20 and name HN )) 4.100 2.100 1.900 peak 573 spectrum 1 weight 0.10000E+01 volume 0.25528E-03 ppm1 7.025 ppm2 8.562 CV 1 OR { 573} (( segid "ATXH" and resid 17 and name HN )) (( segid "ATXH" and resid 20 and name HN )) ASSI { 574} (( segid "ATXH" and resid 65 and name HB3 )) (( segid "ATXH" and resid 62 and name HN )) 4.000 2.000 2.000 peak 574 spectrum 1 weight 0.10000E+01 volume 0.24757E-03 ppm1 7.190 ppm2 2.617 CV 1 OR { 574} (( segid "ATXH" and resid 58 and name HB3 )) (( segid "ATXH" and resid 62 and name HN )) ASSI { 575} ( segid "ATXH" and resid 9 and name HD2%) (( segid "ATXH" and resid 71 and name HN )) 4.300 2.400 1.700 peak 575 spectrum 1 weight 0.10000E+01 volume 0.24647E-03 ppm1 8.790 ppm2 0.738 CV 1 OR { 575} ( segid "ATXH" and resid 11 and name HG2%) (( segid "ATXH" and resid 71 and name HN )) OR { 575} ( segid "ATXH" and resid 63 and name HG2%) (( segid "ATXH" and resid 71 and name HN )) ASSI { 577} (( segid "ATXH" and resid 58 and name HB2 )) (( segid "ATXH" and resid 57 and name HN )) 4.500 2.600 1.500 peak 577 spectrum 1 weight 0.10000E+01 volume 0.24427E-03 ppm1 8.105 ppm2 2.995 CV 1 OR { 577} (( segid "ATXH" and resid 57 and name HE2 )) (( segid "ATXH" and resid 57 and name HN )) ASSI { 588} ( segid "ATXH" and resid 44 and name HG2%) (( segid "ATXH" and resid 43 and name HN )) 3.900 1.900 1.900 peak 588 spectrum 1 weight 0.10000E+01 volume 0.22777E-03 ppm1 7.940 ppm2 0.942 CV 1 OR { 588} ( segid "ATXH" and resid 38 and name HG1%) (( segid "ATXH" and resid 43 and name HN )) ASSI { 589} (( segid "ATXH" and resid 13 and name HN )) (( segid "ATXH" and resid 12 and name HN )) 4.500 2.500 1.500 peak 589 spectrum 1 weight 0.10000E+01 volume 0.22446E-03 ppm1 9.286 ppm2 8.523 CV 1 OR { 589} (( segid "ATXH" and resid 11 and name HN )) (( segid "ATXH" and resid 12 and name HN )) ASSI { 596} ( segid "ATXH" and resid 36 and name HG2%) (( segid "ATXH" and resid 25 and name HN )) 4.200 2.200 1.800 peak 596 spectrum 1 weight 0.10000E+01 volume 0.20906E-03 ppm1 8.210 ppm2 0.882 CV 1 OR { 596} ( segid "ATXH" and resid 27 and name HG1%) (( segid "ATXH" and resid 25 and name HN )) OR { 596} ( segid "ATXH" and resid 27 and name HG2%) (( segid "ATXH" and resid 25 and name HN )) ASSI { 601} (( segid "ATXH" and resid 40 and name HB3 )) (( segid "ATXH" and resid 20 and name HN )) 4.400 2.400 1.600 peak 601 spectrum 1 weight 0.10000E+01 volume 0.20136E-03 ppm1 7.015 ppm2 1.438 CV 1 OR { 601} (( segid "ATXH" and resid 14 and name HB3 )) (( segid "ATXH" and resid 20 and name HN )) ASSI { 603} ( segid "ATXH" and resid 22 and name HB% ) (( segid "ATXH" and resid 66 and name HE21)) 4.200 2.200 1.800 peak 603 spectrum 1 weight 0.10000E+01 volume 0.20026E-03 ppm1 7.524 ppm2 1.589 CV 1 OR { 603} (( segid "ATXH" and resid 23 and name HB )) (( segid "ATXH" and resid 66 and name HE21)) ASSI { 614} (( segid "ATXH" and resid 19 and name HA )) (( segid "ATXH" and resid 21 and name HN )) 4.700 2.700 1.300 peak 614 spectrum 1 weight 0.10000E+01 volume 0.16945E-03 ppm1 7.842 ppm2 4.110 CV 1 OR { 614} (( segid "ATXH" and resid 22 and name HA )) (( segid "ATXH" and resid 21 and name HN )) ASSI { 620} ( segid "ATXH" and resid 45 and name HG2%) (( segid "ATXH" and resid 38 and name HN )) 4.600 2.600 1.400 peak 620 spectrum 1 weight 0.10000E+01 volume 0.15515E-03 ppm1 9.833 ppm2 0.565 CV 1 OR { 620} ( segid "ATXH" and resid 23 and name HG2%) (( segid "ATXH" and resid 38 and name HN )) ASSI { 633} (( segid "ATXH" and resid 26 and name HB2 )) (( segid "ATXH" and resid 24 and name HN )) 4.500 2.600 1.500 peak 633 spectrum 1 weight 0.10000E+01 volume 0.13644E-03 ppm1 8.603 ppm2 3.912 CV 1 OR { 633} (( segid "ATXH" and resid 25 and name HB2 )) (( segid "ATXH" and resid 24 and name HN )) ASSI { 634} (( segid "ATXH" and resid 65 and name HB3 )) (( segid "ATXH" and resid 67 and name HN )) 4.900 3.000 1.100 peak 634 spectrum 1 weight 0.10000E+01 volume 0.13424E-03 ppm1 7.876 ppm2 2.663 CV 1 OR { 634} (( segid "ATXH" and resid 64 and name HG2 )) (( segid "ATXH" and resid 67 and name HN )) ASSI { 647} (( segid "ATXH" and resid 8 and name HB )) (( segid "ATXH" and resid 47 and name HN )) 4.800 2.900 1.200 peak 647 spectrum 1 weight 0.10000E+01 volume 0.11444E-03 ppm1 9.171 ppm2 3.881 CV 1 OR { 647} (( segid "ATXH" and resid 48 and name HB )) (( segid "ATXH" and resid 47 and name HN )) ASSI { 652} (( segid "ATXH" and resid 19 and name HB3 )) (( segid "ATXH" and resid 23 and name HN )) 5.000 3.100 1.000 peak 652 spectrum 1 weight 0.10000E+01 volume 0.10266E-03 ppm1 8.271 ppm2 2.771 CV 1 OR { 652} (( segid "ATXH" and resid 21 and name HB3 )) (( segid "ATXH" and resid 23 and name HN )) OR { 652} (( segid "ATXH" and resid 21 and name HB2 )) (( segid "ATXH" and resid 23 and name HN )) ASSI { 654} ( segid "ATXH" and resid 11 and name HG1%) (( segid "ATXH" and resid 44 and name HN )) 4.500 2.600 1.500 peak 654 spectrum 1 weight 0.10000E+01 volume 0.10057E-03 ppm1 7.592 ppm2 0.625 CV 1 OR { 654} ( segid "ATXH" and resid 45 and name HG2%) (( segid "ATXH" and resid 44 and name HN )) ASSI { 655} (( segid "ATXH" and resid 39 and name HA )) (( segid "ATXH" and resid 46 and name HN )) 5.100 3.200 0.900 peak 655 spectrum 1 weight 0.10000E+01 volume 0.95840E-04 ppm1 8.995 ppm2 4.753 CV 1 OR { 655} (( segid "ATXH" and resid 39 and name HA )) (( segid "ATXH" and resid 37 and name HN )) ASSI { 658} (( segid "ATXH" and resid 34 and name HB3 )) (( segid "ATXH" and resid 33 and name HN )) 5.200 3.400 0.800 peak 658 spectrum 1 weight 0.10000E+01 volume 0.92207E-04 ppm1 7.529 ppm2 1.669 CV 1 OR { 658} (( segid "ATXH" and resid 28 and name HD2 )) (( segid "ATXH" and resid 33 and name HN )) ASSI { 663} (( segid "ATXH" and resid 22 and name HA )) (( segid "ATXH" and resid 24 and name HN )) 5.200 3.300 0.800 peak 663 spectrum 1 weight 0.10000E+01 volume 0.73833E-04 ppm1 8.599 ppm2 4.075 CV 1 OR { 663} (( segid "ATXH" and resid 25 and name HA )) (( segid "ATXH" and resid 24 and name HN )) ASSI { 671} (( segid "ATXH" and resid 64 and name HG3 )) (( segid "ATXH" and resid 65 and name HN )) 6.000 4.500 0.000 peak 671 spectrum 1 weight 0.10000E+01 volume 0.39611E-04 ppm1 8.426 ppm2 2.488 CV 1 OR { 671} (( segid "ATXH" and resid 66 and name HB2 )) (( segid "ATXH" and resid 65 and name HN )) OR { 671} (( segid "ATXH" and resid 66 and name HG2 )) (( segid "ATXH" and resid 65 and name HN )) ASSI { 676} (( segid "ATXH" and resid 68 and name HB3 )) (( segid "ATXH" and resid 65 and name HN )) 6.000 4.600 0.000 peak 676 spectrum 1 weight 0.10000E+01 volume 0.13974E-04 ppm1 8.428 ppm2 2.307 CV 1 OR { 676} (( segid "ATXH" and resid 71 and name HG2 )) (( segid "ATXH" and resid 65 and name HN )) ASSI { 5} ( segid "ATXH" and resid 45 and name HG1%) ( segid "ATXH" and resid 45 and name HG2%) 1.700 0.300 0.500 peak 5 spectrum 1 weight 0.10000E+01 volume 0.56615E-01 ppm1 0.593 ppm2 0.785 CV 1 OR { 5} ( segid "ATXH" and resid 38 and name HG2%) ( segid "ATXH" and resid 45 and name HG2%) ASSI { 7} (( segid "ATXH" and resid 49 and name HG12)) (( segid "ATXH" and resid 49 and name HA )) 2.000 2.000 4.000 peak 7 spectrum 1 weight 0.10000E+01 volume 0.42965E-01 ppm1 5.310 ppm2 0.828 CV 1 OR { 7} ( segid "ATXH" and resid 33 and name HG1%) (( segid "ATXH" and resid 49 and name HA )) OR { 7} ( segid "ATXH" and resid 47 and name HG1%) (( segid "ATXH" and resid 49 and name HA )) ASSI { 8} (( segid "ATXH" and resid 6 and name HG3 )) (( segid "ATXH" and resid 48 and name HA )) 2.100 2.100 3.900 peak 8 spectrum 1 weight 0.10000E+01 volume 0.37981E-01 ppm1 5.251 ppm2 1.976 CV 1 OR { 8} (( segid "ATXH" and resid 6 and name HB2 )) (( segid "ATXH" and resid 48 and name HA )) OR { 8} (( segid "ATXH" and resid 5 and name HB2 )) (( segid "ATXH" and resid 48 and name HA )) OR { 8} (( segid "ATXH" and resid 4 and name HB2 )) (( segid "ATXH" and resid 48 and name HA )) ASSI { 9} ( segid "ATXH" and resid 33 and name HG1%) ( segid "ATXH" and resid 33 and name HG2%) 1.800 0.400 0.400 peak 9 spectrum 1 weight 0.10000E+01 volume 0.37387E-01 ppm1 0.646 ppm2 0.850 CV 1 OR { 9} ( segid "ATXH" and resid 47 and name HG1%) ( segid "ATXH" and resid 33 and name HG2%) OR { 9} ( segid "ATXH" and resid 27 and name HG1%) ( segid "ATXH" and resid 33 and name HG2%) ASSI { 11} ( segid "ATXH" and resid 40 and name HD1%) (( segid "ATXH" and resid 40 and name HA )) 1.800 0.400 0.400 peak 11 spectrum 1 weight 0.10000E+01 volume 0.33352E-01 ppm1 3.785 ppm2 0.822 CV 1 OR { 11} ( segid "ATXH" and resid 40 and name HD2%) (( segid "ATXH" and resid 40 and name HA )) OR { 11} ( segid "ATXH" and resid 33 and name HG1%) (( segid "ATXH" and resid 28 and name HA )) ASSI { 12} (( segid "ATXH" and resid 46 and name HB3 )) (( segid "ATXH" and resid 46 and name HG2 )) 1.800 0.400 0.400 peak 12 spectrum 1 weight 0.10000E+01 volume 0.32758E-01 ppm1 2.196 ppm2 1.904 CV 1 OR { 12} (( segid "ATXH" and resid 34 and name HB2 )) (( segid "ATXH" and resid 34 and name HG2 )) OR { 12} ( segid "ATXH" and resid 4 and name HE% ) (( segid "ATXH" and resid 34 and name HG2 )) ASSI { 13} (( segid "ATXH" and resid 6 and name HG3 )) (( segid "ATXH" and resid 6 and name HA )) 1.900 0.500 0.500 peak 13 spectrum 1 weight 0.10000E+01 volume 0.31809E-01 ppm1 5.199 ppm2 1.975 CV 1 OR { 13} (( segid "ATXH" and resid 6 and name HB2 )) (( segid "ATXH" and resid 6 and name HA )) OR { 13} (( segid "ATXH" and resid 4 and name HB2 )) (( segid "ATXH" and resid 4 and name HA )) ASSI { 14} ( segid "ATXH" and resid 59 and name HG2%) ( segid "ATXH" and resid 63 and name HD1%) 1.800 0.400 0.400 peak 14 spectrum 1 weight 0.10000E+01 volume 0.26824E-01 ppm1 0.563 ppm2 0.762 CV 1 OR { 14} ( segid "ATXH" and resid 63 and name HG2%) ( segid "ATXH" and resid 63 and name HD1%) ASSI { 18} ( segid "ATXH" and resid 62 and name HG2%) ( segid "ATXH" and resid 62 and name HG1%) 2.000 0.500 0.500 peak 18 spectrum 1 weight 0.10000E+01 volume 0.23145E-01 ppm1 1.150 ppm2 0.886 CV 1 OR { 18} ( segid "ATXH" and resid 30 and name HD2%) ( segid "ATXH" and resid 62 and name HG1%) ASSI { 19} ( segid "ATXH" and resid 48 and name HG2%) (( segid "ATXH" and resid 48 and name HB )) 2.000 0.500 0.500 peak 19 spectrum 1 weight 0.10000E+01 volume 0.21483E-01 ppm1 3.868 ppm2 1.087 CV 1 OR { 19} ( segid "ATXH" and resid 8 and name HG2%) (( segid "ATXH" and resid 8 and name HB )) ASSI { 28} (( segid "ATXH" and resid 60 and name HB )) ( segid "ATXH" and resid 60 and name HG2%) 2.000 0.500 0.500 peak 28 spectrum 1 weight 0.10000E+01 volume 0.18634E-01 ppm1 0.823 ppm2 1.997 CV 1 OR { 28} (( segid "ATXH" and resid 53 and name HB )) ( segid "ATXH" and resid 53 and name HG1%) OR { 28} (( segid "ATXH" and resid 53 and name HB )) ( segid "ATXH" and resid 53 and name HG2%) ASSI { 33} ( segid "ATXH" and resid 27 and name HG2%) (( segid "ATXH" and resid 27 and name HB )) 2.000 0.500 0.500 peak 33 spectrum 1 weight 0.10000E+01 volume 0.17447E-01 ppm1 2.025 ppm2 0.856 CV 1 OR { 33} ( segid "ATXH" and resid 60 and name HG2%) (( segid "ATXH" and resid 60 and name HB )) OR { 33} ( segid "ATXH" and resid 38 and name HG2%) (( segid "ATXH" and resid 38 and name HB )) OR { 33} ( segid "ATXH" and resid 27 and name HG1%) (( segid "ATXH" and resid 27 and name HB )) ASSI { 39} (( segid "ATXH" and resid 10 and name HB2 )) (( segid "ATXH" and resid 10 and name HG3 )) 2.100 0.500 0.500 peak 39 spectrum 1 weight 0.10000E+01 volume 0.15667E-01 ppm1 2.304 ppm2 2.078 CV 1 OR { 39} (( segid "ATXH" and resid 14 and name HG2 )) (( segid "ATXH" and resid 14 and name HB2 )) OR { 39} (( segid "ATXH" and resid 14 and name HG3 )) (( segid "ATXH" and resid 14 and name HB2 )) OR { 39} (( segid "ATXH" and resid 10 and name HB2 )) (( segid "ATXH" and resid 10 and name HG2 )) ASSI { 40} (( segid "ATXH" and resid 35 and name HB3 )) (( segid "ATXH" and resid 35 and name HA )) 2.100 0.600 0.600 peak 40 spectrum 1 weight 0.10000E+01 volume 0.15667E-01 ppm1 4.627 ppm2 1.967 CV 1 OR { 40} (( segid "ATXH" and resid 5 and name HB2 )) (( segid "ATXH" and resid 5 and name HA )) OR { 40} (( segid "ATXH" and resid 12 and name HB3 )) (( segid "ATXH" and resid 12 and name HA )) OR { 40} (( segid "ATXH" and resid 5 and name HG3 )) (( segid "ATXH" and resid 5 and name HA )) ASSI { 47} (( segid "ATXH" and resid 35 and name HG3 )) (( segid "ATXH" and resid 35 and name HG2 )) 1.900 0.500 0.500 peak 47 spectrum 1 weight 0.10000E+01 volume 0.14717E-01 ppm1 2.264 ppm2 1.959 CV 1 OR { 47} (( segid "ATXH" and resid 10 and name HB3 )) (( segid "ATXH" and resid 10 and name HG2 )) OR { 47} (( segid "ATXH" and resid 35 and name HB3 )) (( segid "ATXH" and resid 35 and name HG2 )) ASSI { 48} ( segid "ATXH" and resid 54 and name HG2%) ( segid "ATXH" and resid 54 and name HG1%) 2.100 0.500 0.500 peak 48 spectrum 1 weight 0.10000E+01 volume 0.14480E-01 ppm1 1.160 ppm2 0.722 CV 1 OR { 48} ( segid "ATXH" and resid 59 and name HD1%) ( segid "ATXH" and resid 54 and name HG1%) ASSI { 50} ( segid "ATXH" and resid 20 and name HG2%) (( segid "ATXH" and resid 20 and name HB )) 2.100 0.500 0.500 peak 50 spectrum 1 weight 0.10000E+01 volume 0.14243E-01 ppm1 2.084 ppm2 0.929 CV 1 OR { 50} ( segid "ATXH" and resid 70 and name HG2%) (( segid "ATXH" and resid 70 and name HB )) OR { 50} ( segid "ATXH" and resid 70 and name HG1%) (( segid "ATXH" and resid 70 and name HB )) ASSI { 54} (( segid "ATXH" and resid 34 and name HB2 )) (( segid "ATXH" and resid 34 and name HG3 )) 2.400 0.700 0.700 peak 54 spectrum 1 weight 0.10000E+01 volume 0.13768E-01 ppm1 2.092 ppm2 1.901 CV 1 OR { 54} (( segid "ATXH" and resid 46 and name HB3 )) (( segid "ATXH" and resid 46 and name HG3 )) OR { 54} ( segid "ATXH" and resid 4 and name HE% ) (( segid "ATXH" and resid 34 and name HG3 )) ASSI { 75} (( segid "ATXH" and resid 10 and name HA )) ( segid "ATXH" and resid 9 and name HD2%) 2.500 2.500 3.500 peak 75 spectrum 1 weight 0.10000E+01 volume 0.11988E-01 ppm1 0.704 ppm2 4.761 CV 1 OR { 75} (( segid "ATXH" and resid 11 and name HA )) ( segid "ATXH" and resid 9 and name HD2%) ASSI { 77} ( segid "ATXH" and resid 49 and name HG2%) (( segid "ATXH" and resid 33 and name HB )) 2.000 2.000 4.000 peak 77 spectrum 1 weight 0.10000E+01 volume 0.11988E-01 ppm1 2.262 ppm2 0.729 CV 1 OR { 77} ( segid "ATXH" and resid 59 and name HD1%) (( segid "ATXH" and resid 33 and name HB )) OR { 77} ( segid "ATXH" and resid 36 and name HG1%) (( segid "ATXH" and resid 33 and name HB )) ASSI { 88} ( segid "ATXH" and resid 11 and name HG1%) (( segid "ATXH" and resid 11 and name HB )) 2.200 0.600 0.600 peak 88 spectrum 1 weight 0.10000E+01 volume 0.10777E-01 ppm1 1.724 ppm2 0.597 CV 1 OR { 88} ( segid "ATXH" and resid 45 and name HG2%) (( segid "ATXH" and resid 45 and name HB )) OR { 88} (( segid "ATXH" and resid 9 and name HG )) (( segid "ATXH" and resid 45 and name HB )) ASSI { 90} ( segid "ATXH" and resid 70 and name HG1%) ( segid "ATXH" and resid 9 and name HD2%) 2.300 0.600 0.600 peak 90 spectrum 1 weight 0.10000E+01 volume 0.10741E-01 ppm1 0.704 ppm2 0.956 CV 1 OR { 90} ( segid "ATXH" and resid 60 and name HG1%) ( segid "ATXH" and resid 9 and name HD2%) OR { 90} ( segid "ATXH" and resid 70 and name HG2%) ( segid "ATXH" and resid 9 and name HD2%) OR { 90} ( segid "ATXH" and resid 27 and name HG1%) ( segid "ATXH" and resid 9 and name HD2%) OR { 90} (( segid "ATXH" and resid 63 and name HG12)) ( segid "ATXH" and resid 9 and name HD2%) ASSI { 103} (( segid "ATXH" and resid 38 and name HB )) ( segid "ATXH" and resid 38 and name HG1%) 2.200 0.600 0.600 peak 103 spectrum 1 weight 0.10000E+01 volume 0.10302E-01 ppm1 0.990 ppm2 2.089 CV 1 OR { 103} (( segid "ATXH" and resid 70 and name HB )) ( segid "ATXH" and resid 70 and name HG1%) ASSI { 109} (( segid "ATXH" and resid 35 and name HG3 )) (( segid "ATXH" and resid 48 and name HB )) 2.500 0.800 0.800 peak 109 spectrum 1 weight 0.10000E+01 volume 0.98750E-02 ppm1 3.879 ppm2 1.937 CV 1 OR { 109} ( segid "ATXH" and resid 4 and name HE% ) (( segid "ATXH" and resid 48 and name HB )) OR { 109} (( segid "ATXH" and resid 35 and name HB3 )) (( segid "ATXH" and resid 48 and name HB )) OR { 109} (( segid "ATXH" and resid 6 and name HG3 )) (( segid "ATXH" and resid 48 and name HB )) OR { 109} (( segid "ATXH" and resid 4 and name HB2 )) (( segid "ATXH" and resid 48 and name HB )) ASSI { 112} ( segid "ATXH" and resid 4 and name HE% ) ( segid "ATXH" and resid 48 and name HG2%) 2.400 0.700 0.700 peak 112 spectrum 1 weight 0.10000E+01 volume 0.95543E-02 ppm1 1.103 ppm2 1.917 CV 1 OR { 112} (( segid "ATXH" and resid 4 and name HB2 )) ( segid "ATXH" and resid 48 and name HG2%) OR { 112} (( segid "ATXH" and resid 34 and name HB2 )) ( segid "ATXH" and resid 48 and name HG2%) ASSI { 113} ( segid "ATXH" and resid 49 and name HD1%) (( segid "ATXH" and resid 7 and name HA )) 2.000 2.000 4.000 peak 113 spectrum 1 weight 0.10000E+01 volume 0.95191E-02 ppm1 4.811 ppm2 0.712 CV 1 OR { 113} ( segid "ATXH" and resid 9 and name HD2%) (( segid "ATXH" and resid 7 and name HA )) OR { 113} ( segid "ATXH" and resid 49 and name HG2%) (( segid "ATXH" and resid 7 and name HA )) ASSI { 114} ( segid "ATXH" and resid 11 and name HG2%) (( segid "ATXH" and resid 11 and name HB )) 2.200 0.600 0.600 peak 114 spectrum 1 weight 0.10000E+01 volume 0.95191E-02 ppm1 1.723 ppm2 0.751 CV 1 OR { 114} ( segid "ATXH" and resid 45 and name HG1%) (( segid "ATXH" and resid 45 and name HB )) ASSI { 132} ( segid "ATXH" and resid 54 and name HG1%) (( segid "ATXH" and resid 54 and name HA )) 2.600 0.900 0.900 peak 132 spectrum 1 weight 0.10000E+01 volume 0.84624E-02 ppm1 4.643 ppm2 1.164 CV 1 OR { 132} ( segid "ATXH" and resid 55 and name HG2%) (( segid "ATXH" and resid 54 and name HA )) ASSI { 138} ( segid "ATXH" and resid 62 and name HG1%) ( segid "ATXH" and resid 30 and name HD1%) 2.600 0.900 0.900 peak 138 spectrum 1 weight 0.10000E+01 volume 0.80356E-02 ppm1 0.878 ppm2 1.153 CV 1 OR { 138} (( segid "ATXH" and resid 59 and name HG13)) ( segid "ATXH" and resid 30 and name HD1%) ASSI { 141} (( segid "ATXH" and resid 48 and name HA )) ( segid "ATXH" and resid 48 and name HG2%) 2.300 0.700 0.700 peak 141 spectrum 1 weight 0.10000E+01 volume 0.79519E-02 ppm1 1.102 ppm2 5.224 CV 1 OR { 141} (( segid "ATXH" and resid 6 and name HA )) ( segid "ATXH" and resid 48 and name HG2%) ASSI { 144} ( segid "ATXH" and resid 38 and name HG1%) (( segid "ATXH" and resid 38 and name HB )) 2.300 0.700 0.700 peak 144 spectrum 1 weight 0.10000E+01 volume 0.77857E-02 ppm1 2.013 ppm2 0.965 CV 1 OR { 144} ( segid "ATXH" and resid 60 and name HG1%) (( segid "ATXH" and resid 60 and name HB )) ASSI { 158} ( segid "ATXH" and resid 63 and name HD1%) ( segid "ATXH" and resid 70 and name HG2%) 2.400 0.700 0.700 peak 158 spectrum 1 weight 0.10000E+01 volume 0.71807E-02 ppm1 0.923 ppm2 0.584 CV 1 OR { 158} ( segid "ATXH" and resid 9 and name HD1%) ( segid "ATXH" and resid 70 and name HG2%) OR { 158} (( segid "ATXH" and resid 63 and name HG13)) ( segid "ATXH" and resid 70 and name HG2%) ASSI { 162} (( segid "ATXH" and resid 6 and name HB3 )) (( segid "ATXH" and resid 6 and name HA )) 2.400 0.700 0.700 peak 162 spectrum 1 weight 0.10000E+01 volume 0.70977E-02 ppm1 5.181 ppm2 1.874 CV 1 OR { 162} ( segid "ATXH" and resid 4 and name HE% ) (( segid "ATXH" and resid 4 and name HA )) ASSI { 163} ( segid "ATXH" and resid 47 and name HG2%) (( segid "ATXH" and resid 36 and name HA )) 2.300 0.700 0.700 peak 163 spectrum 1 weight 0.10000E+01 volume 0.70740E-02 ppm1 4.944 ppm2 0.806 CV 1 OR { 163} ( segid "ATXH" and resid 36 and name HG1%) (( segid "ATXH" and resid 36 and name HA )) OR { 163} ( segid "ATXH" and resid 36 and name HG2%) (( segid "ATXH" and resid 36 and name HA )) ASSI { 164} ( segid "ATXH" and resid 49 and name HD1%) (( segid "ATXH" and resid 51 and name HA )) 2.500 0.800 0.800 peak 164 spectrum 1 weight 0.10000E+01 volume 0.70382E-02 ppm1 4.941 ppm2 0.709 CV 1 OR { 164} ( segid "ATXH" and resid 45 and name HG1%) (( segid "ATXH" and resid 36 and name HA )) ASSI { 171} (( segid "ATXH" and resid 36 and name HB )) ( segid "ATXH" and resid 36 and name HG1%) 2.300 0.700 0.700 peak 171 spectrum 1 weight 0.10000E+01 volume 0.68249E-02 ppm1 0.781 ppm2 1.882 CV 1 OR { 171} (( segid "ATXH" and resid 28 and name HB2 )) ( segid "ATXH" and resid 36 and name HG1%) ASSI { 182} (( segid "ATXH" and resid 12 and name HB2 )) (( segid "ATXH" and resid 12 and name HA )) 2.500 0.800 0.800 peak 182 spectrum 1 weight 0.10000E+01 volume 0.66348E-02 ppm1 4.629 ppm2 2.176 CV 1 OR { 182} (( segid "ATXH" and resid 5 and name HG2 )) (( segid "ATXH" and resid 5 and name HA )) ASSI { 184} ( segid "ATXH" and resid 63 and name HD1%) ( segid "ATXH" and resid 27 and name HG1%) 2.200 2.200 3.800 peak 184 spectrum 1 weight 0.10000E+01 volume 0.65279E-02 ppm1 0.923 ppm2 0.564 CV 1 OR { 184} (( segid "ATXH" and resid 63 and name HG13)) ( segid "ATXH" and resid 27 and name HG1%) OR { 184} ( segid "ATXH" and resid 45 and name HG2%) ( segid "ATXH" and resid 27 and name HG1%) ASSI { 196} (( segid "ATXH" and resid 35 and name HB2 )) (( segid "ATXH" and resid 35 and name HA )) 2.500 0.800 0.800 peak 196 spectrum 1 weight 0.10000E+01 volume 0.62430E-02 ppm1 4.628 ppm2 2.256 CV 1 OR { 196} (( segid "ATXH" and resid 35 and name HG2 )) (( segid "ATXH" and resid 35 and name HA )) OR { 196} (( segid "ATXH" and resid 12 and name HG2 )) (( segid "ATXH" and resid 12 and name HA )) ASSI { 209} ( segid "ATXH" and resid 38 and name HG1%) ( segid "ATXH" and resid 23 and name HG2%) 2.500 0.800 0.800 peak 209 spectrum 1 weight 0.10000E+01 volume 0.58751E-02 ppm1 0.564 ppm2 0.909 CV 1 OR { 209} ( segid "ATXH" and resid 20 and name HG2%) ( segid "ATXH" and resid 23 and name HG2%) ASSI { 210} ( segid "ATXH" and resid 54 and name HG1%) ( segid "ATXH" and resid 33 and name HG1%) 2.400 0.700 0.700 peak 210 spectrum 1 weight 0.10000E+01 volume 0.58633E-02 ppm1 0.834 ppm2 1.156 CV 1 OR { 210} ( segid "ATXH" and resid 48 and name HG2%) ( segid "ATXH" and resid 33 and name HG1%) ASSI { 212} (( segid "ATXH" and resid 34 and name HB3 )) ( segid "ATXH" and resid 33 and name HG2%) 2.800 1.000 1.000 peak 212 spectrum 1 weight 0.10000E+01 volume 0.58395E-02 ppm1 0.661 ppm2 1.640 CV 1 OR { 212} (( segid "ATXH" and resid 28 and name HD2 )) ( segid "ATXH" and resid 33 and name HG2%) OR { 212} (( segid "ATXH" and resid 23 and name HB )) ( segid "ATXH" and resid 11 and name HG1%) OR { 212} (( segid "ATXH" and resid 23 and name HG12)) ( segid "ATXH" and resid 11 and name HG1%) OR { 212} (( segid "ATXH" and resid 23 and name HG13)) ( segid "ATXH" and resid 11 and name HG1%) ASSI { 221} (( segid "ATXH" and resid 56 and name HB3 )) ( segid "ATXH" and resid 56 and name HD1%) 2.600 0.800 0.800 peak 221 spectrum 1 weight 0.10000E+01 volume 0.55903E-02 ppm1 0.875 ppm2 1.574 CV 1 OR { 221} (( segid "ATXH" and resid 49 and name HB )) (( segid "ATXH" and resid 49 and name HG12)) ASSI { 222} ( segid "ATXH" and resid 48 and name HG2%) (( segid "ATXH" and resid 6 and name HA )) 2.600 0.900 0.900 peak 222 spectrum 1 weight 0.10000E+01 volume 0.55547E-02 ppm1 5.187 ppm2 1.104 CV 1 OR { 222} ( segid "ATXH" and resid 48 and name HG2%) (( segid "ATXH" and resid 4 and name HA )) ASSI { 230} (( segid "ATXH" and resid 35 and name HA )) (( segid "ATXH" and resid 35 and name HB3 )) 2.400 0.700 0.700 peak 230 spectrum 1 weight 0.10000E+01 volume 0.54004E-02 ppm1 1.957 ppm2 4.623 CV 1 OR { 230} (( segid "ATXH" and resid 12 and name HA )) (( segid "ATXH" and resid 12 and name HB3 )) ASSI { 237} (( segid "ATXH" and resid 35 and name HA )) ( segid "ATXH" and resid 36 and name HG1%) 2.700 0.900 0.900 peak 237 spectrum 1 weight 0.10000E+01 volume 0.53173E-02 ppm1 0.752 ppm2 4.657 CV 1 OR { 237} (( segid "ATXH" and resid 37 and name HA )) ( segid "ATXH" and resid 36 and name HG1%) ASSI { 242} ( segid "ATXH" and resid 59 and name HG2%) (( segid "ATXH" and resid 56 and name HA )) 2.700 0.900 0.900 peak 242 spectrum 1 weight 0.10000E+01 volume 0.51512E-02 ppm1 3.863 ppm2 0.770 CV 1 OR { 242} ( segid "ATXH" and resid 49 and name HG2%) (( segid "ATXH" and resid 56 and name HA )) OR { 242} ( segid "ATXH" and resid 54 and name HG2%) (( segid "ATXH" and resid 56 and name HA )) OR { 242} ( segid "ATXH" and resid 60 and name HG2%) (( segid "ATXH" and resid 56 and name HA )) ASSI { 245} (( segid "ATXH" and resid 5 and name HB3 )) (( segid "ATXH" and resid 5 and name HA )) 2.500 0.800 0.800 peak 245 spectrum 1 weight 0.10000E+01 volume 0.50918E-02 ppm1 4.627 ppm2 1.832 CV 1 OR { 245} (( segid "ATXH" and resid 6 and name HB3 )) (( segid "ATXH" and resid 5 and name HA )) ASSI { 250} (( segid "ATXH" and resid 9 and name HB2 )) (( segid "ATXH" and resid 9 and name HA )) 2.600 0.900 0.900 peak 250 spectrum 1 weight 0.10000E+01 volume 0.50324E-02 ppm1 4.848 ppm2 1.575 CV 1 OR { 250} (( segid "ATXH" and resid 7 and name HB2 )) (( segid "ATXH" and resid 7 and name HA )) ASSI { 252} ( segid "ATXH" and resid 14 and name HE% ) ( segid "ATXH" and resid 23 and name HG2%) 2.600 0.800 0.800 peak 252 spectrum 1 weight 0.10000E+01 volume 0.50087E-02 ppm1 0.599 ppm2 1.803 CV 1 OR { 252} (( segid "ATXH" and resid 11 and name HB )) ( segid "ATXH" and resid 23 and name HG2%) ASSI { 257} ( segid "ATXH" and resid 23 and name HG2%) ( segid "ATXH" and resid 23 and name HD1%) 2.400 0.700 0.700 peak 257 spectrum 1 weight 0.10000E+01 volume 0.48544E-02 ppm1 0.146 ppm2 0.568 CV 1 OR { 257} ( segid "ATXH" and resid 45 and name HG2%) ( segid "ATXH" and resid 23 and name HD1%) ASSI { 272} (( segid "ATXH" and resid 28 and name HG2 )) (( segid "ATXH" and resid 28 and name HE2 )) 2.700 0.900 0.900 peak 272 spectrum 1 weight 0.10000E+01 volume 0.46526E-02 ppm1 2.949 ppm2 1.439 CV 1 OR { 272} (( segid "ATXH" and resid 57 and name HG3 )) (( segid "ATXH" and resid 57 and name HE3 )) OR { 272} (( segid "ATXH" and resid 57 and name HG2 )) (( segid "ATXH" and resid 57 and name HE3 )) OR { 272} (( segid "ATXH" and resid 57 and name HG2 )) (( segid "ATXH" and resid 57 and name HE2 )) OR { 272} (( segid "ATXH" and resid 57 and name HG3 )) (( segid "ATXH" and resid 57 and name HE2 )) ASSI { 277} ( segid "ATXH" and resid 30 and name HD1%) (( segid "ATXH" and resid 59 and name HA )) 2.800 1.000 1.000 peak 277 spectrum 1 weight 0.10000E+01 volume 0.46051E-02 ppm1 3.498 ppm2 0.877 CV 1 OR { 277} ( segid "ATXH" and resid 62 and name HG2%) (( segid "ATXH" and resid 59 and name HA )) OR { 277} ( segid "ATXH" and resid 27 and name HG1%) (( segid "ATXH" and resid 59 and name HA )) OR { 277} ( segid "ATXH" and resid 27 and name HG2%) (( segid "ATXH" and resid 59 and name HA )) OR { 277} ( segid "ATXH" and resid 30 and name HD2%) (( segid "ATXH" and resid 59 and name HA )) ASSI { 292} ( segid "ATXH" and resid 70 and name HG2%) (( segid "ATXH" and resid 64 and name HG3 )) 2.600 0.800 0.800 peak 292 spectrum 1 weight 0.10000E+01 volume 0.44390E-02 ppm1 2.414 ppm2 0.914 CV 1 OR { 292} ( segid "ATXH" and resid 60 and name HG1%) (( segid "ATXH" and resid 64 and name HG3 )) ASSI { 296} ( segid "ATXH" and resid 33 and name HG2%) (( segid "ATXH" and resid 27 and name HB )) 2.800 1.000 1.000 peak 296 spectrum 1 weight 0.10000E+01 volume 0.43678E-02 ppm1 2.027 ppm2 0.650 CV 1 OR { 296} ( segid "ATXH" and resid 9 and name HD2%) (( segid "ATXH" and resid 27 and name HB )) OR { 296} ( segid "ATXH" and resid 9 and name HD1%) (( segid "ATXH" and resid 27 and name HB )) ASSI { 306} ( segid "ATXH" and resid 45 and name HG1%) ( segid "ATXH" and resid 23 and name HD1%) 2.600 0.800 0.800 peak 306 spectrum 1 weight 0.10000E+01 volume 0.42016E-02 ppm1 0.153 ppm2 0.788 CV 1 OR { 306} ( segid "ATXH" and resid 63 and name HG2%) ( segid "ATXH" and resid 23 and name HD1%) OR { 306} ( segid "ATXH" and resid 38 and name HG2%) ( segid "ATXH" and resid 23 and name HD1%) ASSI { 307} (( segid "ATXH" and resid 60 and name HA )) ( segid "ATXH" and resid 70 and name HG1%) 2.800 1.000 1.000 peak 307 spectrum 1 weight 0.10000E+01 volume 0.42016E-02 ppm1 0.988 ppm2 3.239 CV 1 OR { 307} (( segid "ATXH" and resid 19 and name HB2 )) ( segid "ATXH" and resid 38 and name HG1%) ASSI { 308} (( segid "ATXH" and resid 14 and name HB3 )) ( segid "ATXH" and resid 14 and name HE% ) 2.900 1.100 1.100 peak 308 spectrum 1 weight 0.10000E+01 volume 0.41897E-02 ppm1 1.778 ppm2 1.420 CV 1 OR { 308} (( segid "ATXH" and resid 40 and name HB3 )) ( segid "ATXH" and resid 14 and name HE% ) ASSI { 310} (( segid "ATXH" and resid 6 and name HG2 )) ( segid "ATXH" and resid 48 and name HG2%) 2.700 0.900 0.900 peak 310 spectrum 1 weight 0.10000E+01 volume 0.41897E-02 ppm1 1.099 ppm2 2.200 CV 1 OR { 310} (( segid "ATXH" and resid 34 and name HG2 )) ( segid "ATXH" and resid 48 and name HG2%) OR { 310} (( segid "ATXH" and resid 46 and name HG2 )) ( segid "ATXH" and resid 8 and name HG2%) ASSI { 318} (( segid "ATXH" and resid 48 and name HB )) (( segid "ATXH" and resid 35 and name HB3 )) 3.100 1.200 1.200 peak 318 spectrum 1 weight 0.10000E+01 volume 0.40354E-02 ppm1 1.953 ppm2 3.874 CV 1 OR { 318} (( segid "ATXH" and resid 48 and name HB )) (( segid "ATXH" and resid 4 and name HB2 )) ASSI { 319} (( segid "ATXH" and resid 47 and name HB )) (( segid "ATXH" and resid 47 and name HA )) 2.700 0.900 0.900 peak 319 spectrum 1 weight 0.10000E+01 volume 0.40354E-02 ppm1 5.065 ppm2 1.891 CV 1 OR { 319} (( segid "ATXH" and resid 36 and name HB )) (( segid "ATXH" and resid 47 and name HA )) ASSI { 331} (( segid "ATXH" and resid 49 and name HG12)) (( segid "ATXH" and resid 5 and name HB2 )) 2.800 1.000 1.000 peak 331 spectrum 1 weight 0.10000E+01 volume 0.38811E-02 ppm1 1.988 ppm2 0.864 CV 1 OR { 331} ( segid "ATXH" and resid 33 and name HG1%) (( segid "ATXH" and resid 35 and name HG3 )) ASSI { 334} (( segid "ATXH" and resid 10 and name HA )) ( segid "ATXH" and resid 70 and name HG2%) 3.000 1.100 1.100 peak 334 spectrum 1 weight 0.10000E+01 volume 0.38100E-02 ppm1 0.937 ppm2 4.648 CV 1 OR { 334} (( segid "ATXH" and resid 68 and name HA )) ( segid "ATXH" and resid 70 and name HG2%) ASSI { 336} ( segid "ATXH" and resid 60 and name HG2%) (( segid "ATXH" and resid 57 and name HD3 )) 2.900 1.100 1.100 peak 336 spectrum 1 weight 0.10000E+01 volume 0.38100E-02 ppm1 1.570 ppm2 0.863 CV 1 OR { 336} ( segid "ATXH" and resid 56 and name HD1%) (( segid "ATXH" and resid 57 and name HD3 )) ASSI { 342} ( segid "ATXH" and resid 48 and name HG2%) (( segid "ATXH" and resid 34 and name HB2 )) 3.000 1.100 1.100 peak 342 spectrum 1 weight 0.10000E+01 volume 0.36794E-02 ppm1 1.890 ppm2 1.100 CV 1 OR { 342} ( segid "ATXH" and resid 8 and name HG2%) (( segid "ATXH" and resid 46 and name HB3 )) ASSI { 347} ( segid "ATXH" and resid 54 and name HG1%) (( segid "ATXH" and resid 58 and name HB2 )) 3.100 1.200 1.200 peak 347 spectrum 1 weight 0.10000E+01 volume 0.36319E-02 ppm1 3.017 ppm2 1.161 CV 1 OR { 347} (( segid "ATXH" and resid 59 and name HG13)) (( segid "ATXH" and resid 58 and name HB2 )) OR { 347} ( segid "ATXH" and resid 55 and name HG2%) (( segid "ATXH" and resid 58 and name HB2 )) ASSI { 350} (( segid "ATXH" and resid 68 and name HB3 )) ( segid "ATXH" and resid 70 and name HG1%) 2.700 0.900 0.900 peak 350 spectrum 1 weight 0.10000E+01 volume 0.35963E-02 ppm1 0.985 ppm2 2.254 CV 1 OR { 350} (( segid "ATXH" and resid 10 and name HG3 )) ( segid "ATXH" and resid 70 and name HG1%) OR { 350} (( segid "ATXH" and resid 10 and name HG2 )) ( segid "ATXH" and resid 70 and name HG1%) ASSI { 351} (( segid "ATXH" and resid 7 and name HB2 )) ( segid "ATXH" and resid 7 and name HD2%) 2.700 0.900 0.900 peak 351 spectrum 1 weight 0.10000E+01 volume 0.35725E-02 ppm1 0.865 ppm2 1.572 CV 1 OR { 351} (( segid "ATXH" and resid 23 and name HG13)) ( segid "ATXH" and resid 27 and name HG2%) OR { 351} (( segid "ATXH" and resid 23 and name HG12)) ( segid "ATXH" and resid 27 and name HG2%) ASSI { 354} (( segid "ATXH" and resid 40 and name HB3 )) ( segid "ATXH" and resid 38 and name HG1%) 2.500 2.500 3.500 peak 354 spectrum 1 weight 0.10000E+01 volume 0.35251E-02 ppm1 0.983 ppm2 1.408 CV 1 OR { 354} (( segid "ATXH" and resid 14 and name HB3 )) ( segid "ATXH" and resid 38 and name HG1%) OR { 354} (( segid "ATXH" and resid 7 and name HB3 )) ( segid "ATXH" and resid 70 and name HG1%) ASSI { 363} (( segid "ATXH" and resid 49 and name HG12)) (( segid "ATXH" and resid 5 and name HG2 )) 3.000 1.100 1.100 peak 363 spectrum 1 weight 0.10000E+01 volume 0.33945E-02 ppm1 2.191 ppm2 0.864 CV 1 OR { 363} ( segid "ATXH" and resid 7 and name HD2%) (( segid "ATXH" and resid 5 and name HG2 )) OR { 363} ( segid "ATXH" and resid 56 and name HD2%) (( segid "ATXH" and resid 5 and name HG2 )) OR { 363} ( segid "ATXH" and resid 38 and name HG2%) (( segid "ATXH" and resid 46 and name HG2 )) OR { 363} ( segid "ATXH" and resid 7 and name HD2%) (( segid "ATXH" and resid 46 and name HG2 )) OR { 363} ( segid "ATXH" and resid 40 and name HD1%) (( segid "ATXH" and resid 42 and name HG2 )) ASSI { 365} (( segid "ATXH" and resid 11 and name HB )) ( segid "ATXH" and resid 11 and name HG1%) 2.700 0.900 0.900 peak 365 spectrum 1 weight 0.10000E+01 volume 0.33826E-02 ppm1 0.643 ppm2 1.806 CV 1 OR { 365} ( segid "ATXH" and resid 14 and name HE% ) ( segid "ATXH" and resid 11 and name HG1%) ASSI { 371} ( segid "ATXH" and resid 47 and name HG2%) (( segid "ATXH" and resid 47 and name HA )) 2.700 0.900 0.900 peak 371 spectrum 1 weight 0.10000E+01 volume 0.33471E-02 ppm1 5.050 ppm2 0.797 CV 1 OR { 371} ( segid "ATXH" and resid 45 and name HG1%) (( segid "ATXH" and resid 47 and name HA )) ASSI { 374} (( segid "ATXH" and resid 59 and name HB )) ( segid "ATXH" and resid 59 and name HD1%) 2.900 1.100 1.100 peak 374 spectrum 1 weight 0.10000E+01 volume 0.33114E-02 ppm1 0.693 ppm2 2.011 CV 1 OR { 374} (( segid "ATXH" and resid 30 and name HB2 )) ( segid "ATXH" and resid 59 and name HD1%) ASSI { 380} (( segid "ATXH" and resid 46 and name HA )) (( segid "ATXH" and resid 46 and name HB2 )) 2.800 1.000 1.000 peak 380 spectrum 1 weight 0.10000E+01 volume 0.32758E-02 ppm1 1.955 ppm2 5.239 CV 1 OR { 380} (( segid "ATXH" and resid 4 and name HA )) (( segid "ATXH" and resid 4 and name HB2 )) ASSI { 389} (( segid "ATXH" and resid 68 and name HB2 )) ( segid "ATXH" and resid 11 and name HG1%) 2.900 1.000 1.000 peak 389 spectrum 1 weight 0.10000E+01 volume 0.31453E-02 ppm1 0.653 ppm2 2.992 CV 1 OR { 389} (( segid "ATXH" and resid 50 and name HB2 )) ( segid "ATXH" and resid 33 and name HG2%) OR { 389} (( segid "ATXH" and resid 58 and name HB2 )) ( segid "ATXH" and resid 33 and name HG2%) ASSI { 396} ( segid "ATXH" and resid 30 and name HD1%) (( segid "ATXH" and resid 58 and name HB3 )) 2.700 0.900 0.900 peak 396 spectrum 1 weight 0.10000E+01 volume 0.30741E-02 ppm1 2.589 ppm2 0.852 CV 1 OR { 396} ( segid "ATXH" and resid 62 and name HG2%) (( segid "ATXH" and resid 58 and name HB3 )) ASSI { 398} ( segid "ATXH" and resid 53 and name HG1%) (( segid "ATXH" and resid 31 and name HB2 )) 3.000 1.100 1.100 peak 398 spectrum 1 weight 0.10000E+01 volume 0.30741E-02 ppm1 2.740 ppm2 0.820 CV 1 OR { 398} ( segid "ATXH" and resid 30 and name HD1%) (( segid "ATXH" and resid 31 and name HB2 )) OR { 398} ( segid "ATXH" and resid 30 and name HD2%) (( segid "ATXH" and resid 31 and name HB2 )) ASSI { 399} (( segid "ATXH" and resid 59 and name HG13)) (( segid "ATXH" and resid 59 and name HA )) 3.000 1.100 1.100 peak 399 spectrum 1 weight 0.10000E+01 volume 0.30622E-02 ppm1 3.502 ppm2 1.146 CV 1 OR { 399} ( segid "ATXH" and resid 62 and name HG1%) (( segid "ATXH" and resid 59 and name HA )) ASSI { 410} (( segid "ATXH" and resid 46 and name HG2 )) (( segid "ATXH" and resid 46 and name HB3 )) 2.600 0.900 0.900 peak 410 spectrum 1 weight 0.10000E+01 volume 0.29791E-02 ppm1 1.897 ppm2 2.192 CV 1 OR { 410} (( segid "ATXH" and resid 34 and name HG2 )) (( segid "ATXH" and resid 34 and name HB2 )) ASSI { 413} ( segid "ATXH" and resid 36 and name HG1%) (( segid "ATXH" and resid 28 and name HB2 )) 2.800 1.000 1.000 peak 413 spectrum 1 weight 0.10000E+01 volume 0.29435E-02 ppm1 1.844 ppm2 0.841 CV 1 OR { 413} ( segid "ATXH" and resid 36 and name HG2%) (( segid "ATXH" and resid 28 and name HB2 )) OR { 413} ( segid "ATXH" and resid 36 and name HG1%) (( segid "ATXH" and resid 28 and name HB3 )) OR { 413} ( segid "ATXH" and resid 36 and name HG2%) (( segid "ATXH" and resid 28 and name HB3 )) OR { 413} ( segid "ATXH" and resid 33 and name HG1%) (( segid "ATXH" and resid 28 and name HB2 )) ASSI { 415} (( segid "ATXH" and resid 47 and name HB )) ( segid "ATXH" and resid 47 and name HG1%) 2.700 0.900 0.900 peak 415 spectrum 1 weight 0.10000E+01 volume 0.29198E-02 ppm1 0.883 ppm2 1.886 CV 1 OR { 415} (( segid "ATXH" and resid 30 and name HG )) ( segid "ATXH" and resid 30 and name HD2%) ASSI { 417} (( segid "ATXH" and resid 27 and name HB )) ( segid "ATXH" and resid 36 and name HG1%) 2.800 1.000 1.000 peak 417 spectrum 1 weight 0.10000E+01 volume 0.29079E-02 ppm1 0.780 ppm2 2.063 CV 1 OR { 417} (( segid "ATXH" and resid 38 and name HB )) ( segid "ATXH" and resid 45 and name HG1%) OR { 417} (( segid "ATXH" and resid 24 and name HB2 )) ( segid "ATXH" and resid 36 and name HG1%) ASSI { 430} ( segid "ATXH" and resid 54 and name HG1%) (( segid "ATXH" and resid 58 and name HB3 )) 3.400 1.500 1.500 peak 430 spectrum 1 weight 0.10000E+01 volume 0.28129E-02 ppm1 2.594 ppm2 1.161 CV 1 OR { 430} (( segid "ATXH" and resid 59 and name HG13)) (( segid "ATXH" and resid 58 and name HB3 )) OR { 430} ( segid "ATXH" and resid 55 and name HG2%) (( segid "ATXH" and resid 58 and name HB3 )) ASSI { 433} ( segid "ATXH" and resid 59 and name HD1%) (( segid "ATXH" and resid 30 and name HB3 )) 2.700 0.900 0.900 peak 433 spectrum 1 weight 0.10000E+01 volume 0.27773E-02 ppm1 1.311 ppm2 0.729 CV 1 OR { 433} ( segid "ATXH" and resid 54 and name HG2%) (( segid "ATXH" and resid 30 and name HB3 )) ASSI { 441} (( segid "ATXH" and resid 63 and name HG12)) (( segid "ATXH" and resid 63 and name HA )) 2.700 0.900 0.900 peak 441 spectrum 1 weight 0.10000E+01 volume 0.27299E-02 ppm1 3.534 ppm2 0.919 CV 1 OR { 441} ( segid "ATXH" and resid 38 and name HG1%) (( segid "ATXH" and resid 20 and name HA )) OR { 441} ( segid "ATXH" and resid 20 and name HG2%) (( segid "ATXH" and resid 20 and name HA )) ASSI { 442} (( segid "ATXH" and resid 49 and name HG12)) (( segid "ATXH" and resid 5 and name HB3 )) 3.000 1.100 1.100 peak 442 spectrum 1 weight 0.10000E+01 volume 0.27299E-02 ppm1 1.828 ppm2 0.867 CV 1 OR { 442} ( segid "ATXH" and resid 7 and name HD2%) (( segid "ATXH" and resid 5 and name HB3 )) ASSI { 443} (( segid "ATXH" and resid 38 and name HB )) ( segid "ATXH" and resid 45 and name HG2%) 3.100 1.200 1.200 peak 443 spectrum 1 weight 0.10000E+01 volume 0.27180E-02 ppm1 0.595 ppm2 2.035 CV 1 OR { 443} (( segid "ATXH" and resid 39 and name HG3 )) ( segid "ATXH" and resid 45 and name HG2%) OR { 443} (( segid "ATXH" and resid 39 and name HB3 )) ( segid "ATXH" and resid 45 and name HG2%) ASSI { 445} ( segid "ATXH" and resid 70 and name HG2%) (( segid "ATXH" and resid 64 and name HG2 )) 3.000 1.100 1.100 peak 445 spectrum 1 weight 0.10000E+01 volume 0.26942E-02 ppm1 2.668 ppm2 0.964 CV 1 OR { 445} ( segid "ATXH" and resid 60 and name HG1%) (( segid "ATXH" and resid 64 and name HG2 )) ASSI { 451} (( segid "ATXH" and resid 30 and name HB2 )) (( segid "ATXH" and resid 30 and name HA )) 2.900 1.100 1.100 peak 451 spectrum 1 weight 0.10000E+01 volume 0.26824E-02 ppm1 4.185 ppm2 1.998 CV 1 OR { 451} (( segid "ATXH" and resid 60 and name HB )) (( segid "ATXH" and resid 61 and name HA )) OR { 451} (( segid "ATXH" and resid 64 and name HB3 )) (( segid "ATXH" and resid 61 and name HA )) ASSI { 453} ( segid "ATXH" and resid 27 and name HG2%) (( segid "ATXH" and resid 59 and name HB )) 3.100 1.200 1.200 peak 453 spectrum 1 weight 0.10000E+01 volume 0.26586E-02 ppm1 2.011 ppm2 0.858 CV 1 OR { 453} ( segid "ATXH" and resid 27 and name HG1%) (( segid "ATXH" and resid 59 and name HB )) OR { 453} ( segid "ATXH" and resid 60 and name HG2%) (( segid "ATXH" and resid 59 and name HB )) ASSI { 454} ( segid "ATXH" and resid 14 and name HE% ) ( segid "ATXH" and resid 38 and name HG2%) 3.100 1.200 1.200 peak 454 spectrum 1 weight 0.10000E+01 volume 0.26467E-02 ppm1 0.827 ppm2 1.758 CV 1 OR { 454} (( segid "ATXH" and resid 45 and name HB )) ( segid "ATXH" and resid 38 and name HG2%) ASSI { 455} (( segid "ATXH" and resid 59 and name HG12)) ( segid "ATXH" and resid 54 and name HG1%) 3.100 1.200 1.200 peak 455 spectrum 1 weight 0.10000E+01 volume 0.26467E-02 ppm1 1.152 ppm2 1.495 CV 1 OR { 455} ( segid "ATXH" and resid 61 and name HB% ) ( segid "ATXH" and resid 62 and name HG1%) OR { 455} (( segid "ATXH" and resid 49 and name HG13)) ( segid "ATXH" and resid 54 and name HG1%) ASSI { 461} ( segid "ATXH" and resid 33 and name HG1%) (( segid "ATXH" and resid 59 and name HG12)) 3.100 1.200 1.200 peak 461 spectrum 1 weight 0.10000E+01 volume 0.25993E-02 ppm1 1.515 ppm2 0.860 CV 1 OR { 461} ( segid "ATXH" and resid 30 and name HD1%) (( segid "ATXH" and resid 59 and name HG12)) OR { 461} ( segid "ATXH" and resid 27 and name HG2%) (( segid "ATXH" and resid 59 and name HG12)) OR { 461} ( segid "ATXH" and resid 27 and name HG1%) (( segid "ATXH" and resid 59 and name HG12)) OR { 461} ( segid "ATXH" and resid 30 and name HD2%) (( segid "ATXH" and resid 59 and name HG12)) OR { 461} ( segid "ATXH" and resid 47 and name HG1%) (( segid "ATXH" and resid 59 and name HG12)) ASSI { 465} (( segid "ATXH" and resid 63 and name HG12)) (( segid "ATXH" and resid 63 and name HB )) 2.900 1.100 1.100 peak 465 spectrum 1 weight 0.10000E+01 volume 0.25875E-02 ppm1 1.796 ppm2 0.960 CV 1 OR { 465} ( segid "ATXH" and resid 70 and name HG2%) (( segid "ATXH" and resid 63 and name HB )) ASSI { 468} (( segid "ATXH" and resid 6 and name HG2 )) (( segid "ATXH" and resid 48 and name HA )) 3.100 1.200 1.200 peak 468 spectrum 1 weight 0.10000E+01 volume 0.25637E-02 ppm1 5.234 ppm2 2.203 CV 1 OR { 468} (( segid "ATXH" and resid 34 and name HG2 )) (( segid "ATXH" and resid 48 and name HA )) ASSI { 476} ( segid "ATXH" and resid 8 and name HG2%) (( segid "ATXH" and resid 46 and name HG3 )) 3.000 1.100 1.100 peak 476 spectrum 1 weight 0.10000E+01 volume 0.25043E-02 ppm1 2.099 ppm2 1.086 CV 1 OR { 476} ( segid "ATXH" and resid 48 and name HG2%) (( segid "ATXH" and resid 34 and name HG3 )) ASSI { 480} (( segid "ATXH" and resid 8 and name HA )) (( segid "ATXH" and resid 8 and name HB )) 3.000 1.100 1.100 peak 480 spectrum 1 weight 0.10000E+01 volume 0.24925E-02 ppm1 3.858 ppm2 4.856 CV 1 OR { 480} (( segid "ATXH" and resid 7 and name HA )) (( segid "ATXH" and resid 8 and name HB )) ASSI { 481} (( segid "ATXH" and resid 7 and name HB2 )) (( segid "ATXH" and resid 47 and name HB )) 3.000 1.100 1.100 peak 481 spectrum 1 weight 0.10000E+01 volume 0.24688E-02 ppm1 1.885 ppm2 1.582 CV 1 OR { 481} (( segid "ATXH" and resid 49 and name HB )) (( segid "ATXH" and resid 47 and name HB )) OR { 481} (( segid "ATXH" and resid 9 and name HB2 )) (( segid "ATXH" and resid 47 and name HB )) OR { 481} (( segid "ATXH" and resid 34 and name HB3 )) (( segid "ATXH" and resid 47 and name HB )) ASSI { 486} (( segid "ATXH" and resid 63 and name HG12)) (( segid "ATXH" and resid 26 and name HB3 )) 2.800 1.000 1.000 peak 486 spectrum 1 weight 0.10000E+01 volume 0.24569E-02 ppm1 3.695 ppm2 0.896 CV 1 OR { 486} ( segid "ATXH" and resid 27 and name HG1%) (( segid "ATXH" and resid 26 and name HB3 )) OR { 486} ( segid "ATXH" and resid 27 and name HG2%) (( segid "ATXH" and resid 26 and name HB3 )) ASSI { 491} (( segid "ATXH" and resid 11 and name HA )) ( segid "ATXH" and resid 70 and name HG1%) 2.900 1.000 1.000 peak 491 spectrum 1 weight 0.10000E+01 volume 0.23975E-02 ppm1 0.960 ppm2 4.757 CV 1 OR { 491} (( segid "ATXH" and resid 39 and name HA )) ( segid "ATXH" and resid 38 and name HG1%) ASSI { 492} (( segid "ATXH" and resid 43 and name HA1 )) ( segid "ATXH" and resid 44 and name HG2%) 3.300 1.300 1.300 peak 492 spectrum 1 weight 0.10000E+01 volume 0.23856E-02 ppm1 0.893 ppm2 3.697 CV 1 OR { 492} (( segid "ATXH" and resid 27 and name HA )) ( segid "ATXH" and resid 62 and name HG2%) ASSI { 497} (( segid "ATXH" and resid 36 and name HB )) ( segid "ATXH" and resid 27 and name HG1%) 3.200 1.200 1.200 peak 497 spectrum 1 weight 0.10000E+01 volume 0.23619E-02 ppm1 0.923 ppm2 1.873 CV 1 OR { 497} (( segid "ATXH" and resid 47 and name HB )) ( segid "ATXH" and resid 27 and name HG1%) OR { 497} (( segid "ATXH" and resid 28 and name HB2 )) ( segid "ATXH" and resid 27 and name HG1%) ASSI { 500} (( segid "ATXH" and resid 12 and name HA )) ( segid "ATXH" and resid 11 and name HG1%) 3.200 1.200 1.200 peak 500 spectrum 1 weight 0.10000E+01 volume 0.23263E-02 ppm1 0.648 ppm2 4.643 CV 1 OR { 500} (( segid "ATXH" and resid 10 and name HA )) ( segid "ATXH" and resid 11 and name HG1%) OR { 500} (( segid "ATXH" and resid 54 and name HA )) ( segid "ATXH" and resid 33 and name HG2%) ASSI { 502} (( segid "ATXH" and resid 42 and name HB2 )) (( segid "ATXH" and resid 44 and name HB )) 3.300 1.300 1.300 peak 502 spectrum 1 weight 0.10000E+01 volume 0.23145E-02 ppm1 3.969 ppm2 2.099 CV 1 OR { 502} (( segid "ATXH" and resid 10 and name HB2 )) (( segid "ATXH" and resid 44 and name HB )) OR { 502} (( segid "ATXH" and resid 39 and name HG3 )) (( segid "ATXH" and resid 44 and name HB )) ASSI { 504} ( segid "ATXH" and resid 60 and name HG2%) (( segid "ATXH" and resid 57 and name HA )) 3.100 1.200 1.200 peak 504 spectrum 1 weight 0.10000E+01 volume 0.22907E-02 ppm1 3.846 ppm2 0.849 CV 1 OR { 504} ( segid "ATXH" and resid 56 and name HD1%) (( segid "ATXH" and resid 57 and name HA )) ASSI { 508} (( segid "ATXH" and resid 60 and name HB )) (( segid "ATXH" and resid 60 and name HA )) 3.000 1.100 1.100 peak 508 spectrum 1 weight 0.10000E+01 volume 0.22670E-02 ppm1 3.253 ppm2 2.022 CV 1 OR { 508} (( segid "ATXH" and resid 59 and name HB )) (( segid "ATXH" and resid 60 and name HA )) ASSI { 519} (( segid "ATXH" and resid 59 and name HA )) (( segid "ATXH" and resid 62 and name HB )) 2.900 1.100 1.100 peak 519 spectrum 1 weight 0.10000E+01 volume 0.21839E-02 ppm1 2.197 ppm2 3.501 CV 1 OR { 519} (( segid "ATXH" and resid 63 and name HA )) (( segid "ATXH" and resid 62 and name HB )) ASSI { 520} (( segid "ATXH" and resid 9 and name HB2 )) ( segid "ATXH" and resid 70 and name HG2%) 3.100 1.200 1.200 peak 520 spectrum 1 weight 0.10000E+01 volume 0.21720E-02 ppm1 0.942 ppm2 1.567 CV 1 OR { 520} (( segid "ATXH" and resid 23 and name HG13)) ( segid "ATXH" and resid 38 and name HG1%) OR { 520} (( segid "ATXH" and resid 40 and name HB2 )) ( segid "ATXH" and resid 38 and name HG1%) OR { 520} (( segid "ATXH" and resid 23 and name HG12)) ( segid "ATXH" and resid 38 and name HG1%) OR { 520} ( segid "ATXH" and resid 22 and name HB% ) ( segid "ATXH" and resid 38 and name HG1%) OR { 520} (( segid "ATXH" and resid 23 and name HG13)) ( segid "ATXH" and resid 70 and name HG2%) ASSI { 523} (( segid "ATXH" and resid 5 and name HA )) (( segid "ATXH" and resid 5 and name HB2 )) 3.100 1.200 1.200 peak 523 spectrum 1 weight 0.10000E+01 volume 0.21602E-02 ppm1 1.987 ppm2 4.630 CV 1 OR { 523} (( segid "ATXH" and resid 35 and name HA )) (( segid "ATXH" and resid 35 and name HG3 )) ASSI { 526} ( segid "ATXH" and resid 9 and name HD1%) (( segid "ATXH" and resid 7 and name HB2 )) 3.000 1.100 1.100 peak 526 spectrum 1 weight 0.10000E+01 volume 0.21483E-02 ppm1 1.599 ppm2 0.661 CV 1 OR { 526} ( segid "ATXH" and resid 9 and name HD2%) (( segid "ATXH" and resid 7 and name HB2 )) OR { 526} ( segid "ATXH" and resid 49 and name HD1%) (( segid "ATXH" and resid 7 and name HB2 )) ASSI { 530} ( segid "ATXH" and resid 63 and name HG2%) (( segid "ATXH" and resid 64 and name HG2 )) 3.100 1.200 1.200 peak 530 spectrum 1 weight 0.10000E+01 volume 0.21127E-02 ppm1 2.651 ppm2 0.813 CV 1 OR { 530} ( segid "ATXH" and resid 53 and name HG1%) (( segid "ATXH" and resid 31 and name HB3 )) OR { 530} ( segid "ATXH" and resid 30 and name HD2%) (( segid "ATXH" and resid 31 and name HB3 )) ASSI { 531} (( segid "ATXH" and resid 23 and name HB )) ( segid "ATXH" and resid 23 and name HD1%) 2.900 1.100 1.100 peak 531 spectrum 1 weight 0.10000E+01 volume 0.21127E-02 ppm1 0.147 ppm2 1.735 CV 1 OR { 531} (( segid "ATXH" and resid 45 and name HB )) ( segid "ATXH" and resid 23 and name HD1%) ASSI { 541} (( segid "ATXH" and resid 26 and name HB3 )) ( segid "ATXH" and resid 62 and name HG1%) 3.600 1.600 1.600 peak 541 spectrum 1 weight 0.10000E+01 volume 0.20177E-02 ppm1 1.151 ppm2 3.701 CV 1 OR { 541} (( segid "ATXH" and resid 32 and name HA1 )) ( segid "ATXH" and resid 54 and name HG1%) ASSI { 546} (( segid "ATXH" and resid 30 and name HG )) ( segid "ATXH" and resid 62 and name HG1%) 3.200 1.300 1.300 peak 546 spectrum 1 weight 0.10000E+01 volume 0.19940E-02 ppm1 1.150 ppm2 1.857 CV 1 OR { 546} (( segid "ATXH" and resid 30 and name HG )) ( segid "ATXH" and resid 54 and name HG1%) ASSI { 548} (( segid "ATXH" and resid 64 and name HG3 )) ( segid "ATXH" and resid 70 and name HG1%) 3.200 1.300 1.300 peak 548 spectrum 1 weight 0.10000E+01 volume 0.19703E-02 ppm1 0.977 ppm2 2.469 CV 1 OR { 548} (( segid "ATXH" and resid 69 and name HB3 )) ( segid "ATXH" and resid 70 and name HG1%) ASSI { 563} ( segid "ATXH" and resid 23 and name HG2%) (( segid "ATXH" and resid 23 and name HG13)) 3.100 1.200 1.200 peak 563 spectrum 1 weight 0.10000E+01 volume 0.18871E-02 ppm1 1.627 ppm2 0.553 CV 1 OR { 563} ( segid "ATXH" and resid 63 and name HD1%) (( segid "ATXH" and resid 23 and name HG12)) OR { 563} ( segid "ATXH" and resid 23 and name HG2%) (( segid "ATXH" and resid 23 and name HG12)) OR { 563} ( segid "ATXH" and resid 63 and name HD1%) (( segid "ATXH" and resid 23 and name HG13)) OR { 563} (( segid "ATXH" and resid 63 and name HG13)) (( segid "ATXH" and resid 23 and name HG13)) ASSI { 566} (( segid "ATXH" and resid 63 and name HG12)) (( segid "ATXH" and resid 26 and name HB2 )) 3.200 1.300 1.300 peak 566 spectrum 1 weight 0.10000E+01 volume 0.18753E-02 ppm1 3.895 ppm2 0.896 CV 1 OR { 566} ( segid "ATXH" and resid 30 and name HD2%) (( segid "ATXH" and resid 26 and name HB2 )) OR { 566} ( segid "ATXH" and resid 62 and name HG2%) (( segid "ATXH" and resid 26 and name HB2 )) OR { 566} ( segid "ATXH" and resid 27 and name HG2%) (( segid "ATXH" and resid 26 and name HB2 )) ASSI { 572} ( segid "ATXH" and resid 49 and name HD1%) (( segid "ATXH" and resid 56 and name HA )) 3.100 1.200 1.200 peak 572 spectrum 1 weight 0.10000E+01 volume 0.18397E-02 ppm1 3.875 ppm2 0.693 CV 1 OR { 572} ( segid "ATXH" and resid 59 and name HD1%) (( segid "ATXH" and resid 56 and name HA )) OR { 572} ( segid "ATXH" and resid 54 and name HG2%) (( segid "ATXH" and resid 56 and name HA )) ASSI { 578} (( segid "ATXH" and resid 27 and name HB )) (( segid "ATXH" and resid 28 and name HA )) 3.300 1.400 1.400 peak 578 spectrum 1 weight 0.10000E+01 volume 0.18041E-02 ppm1 3.777 ppm2 2.022 CV 1 OR { 578} (( segid "ATXH" and resid 30 and name HB2 )) (( segid "ATXH" and resid 28 and name HA )) OR { 578} (( segid "ATXH" and resid 39 and name HB3 )) (( segid "ATXH" and resid 40 and name HA )) OR { 578} (( segid "ATXH" and resid 14 and name HG2 )) (( segid "ATXH" and resid 40 and name HA )) OR { 578} (( segid "ATXH" and resid 14 and name HG3 )) (( segid "ATXH" and resid 40 and name HA )) OR { 578} (( segid "ATXH" and resid 29 and name HB2 )) (( segid "ATXH" and resid 28 and name HA )) ASSI { 580} (( segid "ATXH" and resid 63 and name HA )) ( segid "ATXH" and resid 62 and name HG1%) 3.100 1.200 1.200 peak 580 spectrum 1 weight 0.10000E+01 volume 0.18041E-02 ppm1 1.150 ppm2 3.499 CV 1 OR { 580} (( segid "ATXH" and resid 59 and name HA )) ( segid "ATXH" and resid 62 and name HG1%) ASSI { 581} (( segid "ATXH" and resid 39 and name HA )) (( segid "ATXH" and resid 39 and name HG3 )) 3.400 1.400 1.400 peak 581 spectrum 1 weight 0.10000E+01 volume 0.17922E-02 ppm1 2.073 ppm2 4.740 CV 1 OR { 581} (( segid "ATXH" and resid 37 and name HA )) (( segid "ATXH" and resid 38 and name HB )) ASSI { 584} ( segid "ATXH" and resid 70 and name HG2%) (( segid "ATXH" and resid 9 and name HB2 )) 2.900 1.100 1.100 peak 584 spectrum 1 weight 0.10000E+01 volume 0.17803E-02 ppm1 1.566 ppm2 0.948 CV 1 OR { 584} ( segid "ATXH" and resid 70 and name HG1%) (( segid "ATXH" and resid 9 and name HB2 )) OR { 584} ( segid "ATXH" and resid 44 and name HG2%) (( segid "ATXH" and resid 9 and name HB2 )) ASSI { 586} (( segid "ATXH" and resid 63 and name HG12)) ( segid "ATXH" and resid 23 and name HD1%) 3.200 1.300 1.300 peak 586 spectrum 1 weight 0.10000E+01 volume 0.17685E-02 ppm1 0.152 ppm2 0.912 CV 1 OR { 586} ( segid "ATXH" and resid 38 and name HG1%) ( segid "ATXH" and resid 23 and name HD1%) OR { 586} ( segid "ATXH" and resid 27 and name HG2%) ( segid "ATXH" and resid 23 and name HD1%) ASSI { 587} ( segid "ATXH" and resid 22 and name HB% ) (( segid "ATXH" and resid 19 and name HA )) 3.000 1.100 1.100 peak 587 spectrum 1 weight 0.10000E+01 volume 0.17685E-02 ppm1 4.094 ppm2 1.599 CV 1 OR { 587} (( segid "ATXH" and resid 49 and name HB )) (( segid "ATXH" and resid 33 and name HA )) ASSI { 588} (( segid "ATXH" and resid 30 and name HG )) (( segid "ATXH" and resid 27 and name HA )) 3.000 1.200 1.200 peak 588 spectrum 1 weight 0.10000E+01 volume 0.17685E-02 ppm1 3.702 ppm2 1.865 CV 1 OR { 588} (( segid "ATXH" and resid 28 and name HB2 )) (( segid "ATXH" and resid 27 and name HA )) ASSI { 593} (( segid "ATXH" and resid 26 and name HA )) (( segid "ATXH" and resid 29 and name HB2 )) 3.000 1.100 1.100 peak 593 spectrum 1 weight 0.10000E+01 volume 0.17447E-02 ppm1 2.068 ppm2 4.164 CV 1 OR { 593} (( segid "ATXH" and resid 30 and name HA )) (( segid "ATXH" and resid 29 and name HB2 )) ASSI { 595} (( segid "ATXH" and resid 36 and name HB )) ( segid "ATXH" and resid 45 and name HG2%) 3.300 1.400 1.400 peak 595 spectrum 1 weight 0.10000E+01 volume 0.17329E-02 ppm1 0.593 ppm2 1.887 CV 1 OR { 595} (( segid "ATXH" and resid 24 and name HB3 )) ( segid "ATXH" and resid 45 and name HG2%) OR { 595} (( segid "ATXH" and resid 42 and name HB3 )) ( segid "ATXH" and resid 45 and name HG2%) OR { 595} (( segid "ATXH" and resid 10 and name HB3 )) ( segid "ATXH" and resid 45 and name HG2%) ASSI { 599} ( segid "ATXH" and resid 41 and name HB% ) (( segid "ATXH" and resid 42 and name HG2 )) 3.300 1.300 1.300 peak 599 spectrum 1 weight 0.10000E+01 volume 0.17092E-02 ppm1 2.169 ppm2 1.393 CV 1 OR { 599} ( segid "ATXH" and resid 3 and name HB% ) (( segid "ATXH" and resid 5 and name HG2 )) OR { 599} (( segid "ATXH" and resid 49 and name HG13)) (( segid "ATXH" and resid 5 and name HG2 )) ASSI { 600} (( segid "ATXH" and resid 57 and name HD3 )) ( segid "ATXH" and resid 60 and name HG2%) 3.200 1.300 1.300 peak 600 spectrum 1 weight 0.10000E+01 volume 0.17092E-02 ppm1 0.804 ppm2 1.574 CV 1 OR { 600} (( segid "ATXH" and resid 23 and name HG13)) ( segid "ATXH" and resid 47 and name HG2%) OR { 600} (( segid "ATXH" and resid 7 and name HB2 )) ( segid "ATXH" and resid 47 and name HG2%) OR { 600} (( segid "ATXH" and resid 37 and name HB3 )) ( segid "ATXH" and resid 47 and name HG2%) OR { 600} (( segid "ATXH" and resid 9 and name HB2 )) ( segid "ATXH" and resid 47 and name HG2%) OR { 600} (( segid "ATXH" and resid 9 and name HB2 )) ( segid "ATXH" and resid 60 and name HG2%) OR { 600} (( segid "ATXH" and resid 23 and name HG12)) ( segid "ATXH" and resid 47 and name HG2%) OR { 600} (( segid "ATXH" and resid 56 and name HB3 )) ( segid "ATXH" and resid 60 and name HG2%) ASSI { 603} ( segid "ATXH" and resid 36 and name HG2%) (( segid "ATXH" and resid 24 and name HA )) 3.100 1.200 1.200 peak 603 spectrum 1 weight 0.10000E+01 volume 0.16973E-02 ppm1 3.561 ppm2 0.828 CV 1 OR { 603} ( segid "ATXH" and resid 36 and name HG1%) (( segid "ATXH" and resid 24 and name HA )) OR { 603} ( segid "ATXH" and resid 38 and name HG2%) (( segid "ATXH" and resid 24 and name HA )) ASSI { 605} (( segid "ATXH" and resid 63 and name HG12)) (( segid "ATXH" and resid 23 and name HB )) 3.500 1.500 1.500 peak 605 spectrum 1 weight 0.10000E+01 volume 0.16735E-02 ppm1 1.729 ppm2 0.921 CV 1 OR { 605} ( segid "ATXH" and resid 27 and name HG2%) (( segid "ATXH" and resid 23 and name HB )) ASSI { 610} ( segid "ATXH" and resid 30 and name HD2%) (( segid "ATXH" and resid 26 and name HA )) 3.200 1.300 1.300 peak 610 spectrum 1 weight 0.10000E+01 volume 0.16617E-02 ppm1 4.154 ppm2 0.895 CV 1 OR { 610} ( segid "ATXH" and resid 30 and name HD1%) (( segid "ATXH" and resid 26 and name HA )) OR { 610} ( segid "ATXH" and resid 27 and name HG2%) (( segid "ATXH" and resid 26 and name HA )) ASSI { 611} (( segid "ATXH" and resid 39 and name HB2 )) (( segid "ATXH" and resid 44 and name HB )) 3.400 1.400 1.400 peak 611 spectrum 1 weight 0.10000E+01 volume 0.16617E-02 ppm1 3.961 ppm2 2.280 CV 1 OR { 611} (( segid "ATXH" and resid 10 and name HG2 )) (( segid "ATXH" and resid 44 and name HB )) OR { 611} (( segid "ATXH" and resid 10 and name HG3 )) (( segid "ATXH" and resid 44 and name HB )) ASSI { 613} (( segid "ATXH" and resid 5 and name HB3 )) ( segid "ATXH" and resid 7 and name HD1%) 3.100 1.200 1.200 peak 613 spectrum 1 weight 0.10000E+01 volume 0.16617E-02 ppm1 0.786 ppm2 1.881 CV 1 OR { 613} (( segid "ATXH" and resid 47 and name HB )) ( segid "ATXH" and resid 7 and name HD1%) ASSI { 615} (( segid "ATXH" and resid 30 and name HB2 )) ( segid "ATXH" and resid 33 and name HG1%) 3.300 1.400 1.400 peak 615 spectrum 1 weight 0.10000E+01 volume 0.16498E-02 ppm1 0.833 ppm2 1.999 CV 1 OR { 615} (( segid "ATXH" and resid 27 and name HB )) ( segid "ATXH" and resid 33 and name HG1%) OR { 615} (( segid "ATXH" and resid 35 and name HB3 )) ( segid "ATXH" and resid 33 and name HG1%) ASSI { 620} (( segid "ATXH" and resid 20 and name HA )) ( segid "ATXH" and resid 23 and name HG2%) 3.000 1.100 1.100 peak 620 spectrum 1 weight 0.10000E+01 volume 0.16142E-02 ppm1 0.567 ppm2 3.541 CV 1 OR { 620} (( segid "ATXH" and resid 24 and name HA )) ( segid "ATXH" and resid 23 and name HG2%) ASSI { 621} ( segid "ATXH" and resid 38 and name HG2%) (( segid "ATXH" and resid 39 and name HA )) 3.400 1.400 1.400 peak 621 spectrum 1 weight 0.10000E+01 volume 0.16142E-02 ppm1 4.757 ppm2 0.820 CV 1 OR { 621} ( segid "ATXH" and resid 40 and name HD1%) (( segid "ATXH" and resid 39 and name HA )) ASSI { 624} (( segid "ATXH" and resid 47 and name HB )) (( segid "ATXH" and resid 7 and name HB2 )) 3.100 1.200 1.200 peak 624 spectrum 1 weight 0.10000E+01 volume 0.15904E-02 ppm1 1.602 ppm2 1.879 CV 1 OR { 624} (( segid "ATXH" and resid 6 and name HB3 )) (( segid "ATXH" and resid 7 and name HB2 )) OR { 624} (( segid "ATXH" and resid 5 and name HB3 )) (( segid "ATXH" and resid 7 and name HB2 )) ASSI { 631} (( segid "ATXH" and resid 7 and name HG )) (( segid "ATXH" and resid 6 and name HA )) 3.500 1.500 1.500 peak 631 spectrum 1 weight 0.10000E+01 volume 0.15549E-02 ppm1 5.208 ppm2 0.739 CV 1 OR { 631} ( segid "ATXH" and resid 7 and name HD1%) (( segid "ATXH" and resid 6 and name HA )) OR { 631} ( segid "ATXH" and resid 49 and name HG2%) (( segid "ATXH" and resid 4 and name HA )) ASSI { 634} (( segid "ATXH" and resid 56 and name HB3 )) ( segid "ATXH" and resid 60 and name HG1%) 3.300 1.400 1.400 peak 634 spectrum 1 weight 0.10000E+01 volume 0.15549E-02 ppm1 0.972 ppm2 1.567 CV 1 OR { 634} (( segid "ATXH" and resid 9 and name HB2 )) ( segid "ATXH" and resid 60 and name HG1%) OR { 634} (( segid "ATXH" and resid 57 and name HD3 )) ( segid "ATXH" and resid 60 and name HG1%) ASSI { 635} (( segid "ATXH" and resid 30 and name HA )) (( segid "ATXH" and resid 31 and name HB3 )) 3.700 1.700 1.700 peak 635 spectrum 1 weight 0.10000E+01 volume 0.15430E-02 ppm1 2.639 ppm2 4.181 CV 1 OR { 635} (( segid "ATXH" and resid 32 and name HA2 )) (( segid "ATXH" and resid 31 and name HB3 )) ASSI { 636} (( segid "ATXH" and resid 28 and name HB2 )) (( segid "ATXH" and resid 28 and name HE2 )) 3.400 1.400 1.400 peak 636 spectrum 1 weight 0.10000E+01 volume 0.15430E-02 ppm1 2.952 ppm2 1.838 CV 1 OR { 636} (( segid "ATXH" and resid 28 and name HB3 )) (( segid "ATXH" and resid 28 and name HE2 )) OR { 636} (( segid "ATXH" and resid 57 and name HB2 )) (( segid "ATXH" and resid 57 and name HE2 )) OR { 636} (( segid "ATXH" and resid 57 and name HB2 )) (( segid "ATXH" and resid 57 and name HE3 )) ASSI { 640} (( segid "ATXH" and resid 47 and name HB )) ( segid "ATXH" and resid 49 and name HG2%) 3.300 1.300 1.300 peak 640 spectrum 1 weight 0.10000E+01 volume 0.15311E-02 ppm1 0.727 ppm2 1.885 CV 1 OR { 640} (( segid "ATXH" and resid 5 and name HB3 )) ( segid "ATXH" and resid 49 and name HG2%) OR { 640} (( segid "ATXH" and resid 34 and name HB2 )) ( segid "ATXH" and resid 49 and name HG2%) ASSI { 641} (( segid "ATXH" and resid 39 and name HA )) (( segid "ATXH" and resid 39 and name HG2 )) 3.100 1.200 1.200 peak 641 spectrum 1 weight 0.10000E+01 volume 0.15311E-02 ppm1 2.180 ppm2 4.747 CV 1 OR { 641} (( segid "ATXH" and resid 11 and name HA )) (( segid "ATXH" and resid 12 and name HB2 )) ASSI { 647} (( segid "ATXH" and resid 51 and name HB2 )) ( segid "ATXH" and resid 49 and name HD1%) 3.300 1.400 1.400 peak 647 spectrum 1 weight 0.10000E+01 volume 0.14955E-02 ppm1 0.647 ppm2 4.197 CV 1 OR { 647} (( segid "ATXH" and resid 32 and name HA2 )) ( segid "ATXH" and resid 49 and name HD1%) ASSI { 648} ( segid "ATXH" and resid 62 and name HG1%) (( segid "ATXH" and resid 27 and name HA )) 3.400 1.400 1.400 peak 648 spectrum 1 weight 0.10000E+01 volume 0.14836E-02 ppm1 3.706 ppm2 1.146 CV 1 OR { 648} (( segid "ATXH" and resid 59 and name HG13)) (( segid "ATXH" and resid 27 and name HA )) ASSI { 653} (( segid "ATXH" and resid 61 and name HA )) ( segid "ATXH" and resid 62 and name HG2%) 4.000 2.000 2.000 peak 653 spectrum 1 weight 0.10000E+01 volume 0.14599E-02 ppm1 0.894 ppm2 4.158 CV 1 OR { 653} (( segid "ATXH" and resid 30 and name HA )) ( segid "ATXH" and resid 62 and name HG2%) ASSI { 656} ( segid "ATXH" and resid 54 and name HG1%) (( segid "ATXH" and resid 30 and name HA )) 3.200 1.300 1.300 peak 656 spectrum 1 weight 0.10000E+01 volume 0.14480E-02 ppm1 4.179 ppm2 1.159 CV 1 OR { 656} ( segid "ATXH" and resid 62 and name HG1%) (( segid "ATXH" and resid 30 and name HA )) OR { 656} ( segid "ATXH" and resid 62 and name HG1%) (( segid "ATXH" and resid 61 and name HA )) ASSI { 664} (( segid "ATXH" and resid 7 and name HB3 )) (( segid "ATXH" and resid 47 and name HB )) 3.400 1.400 1.400 peak 664 spectrum 1 weight 0.10000E+01 volume 0.14006E-02 ppm1 1.882 ppm2 1.405 CV 1 OR { 664} (( segid "ATXH" and resid 49 and name HG13)) (( segid "ATXH" and resid 47 and name HB )) ASSI { 666} (( segid "ATXH" and resid 11 and name HB )) ( segid "ATXH" and resid 11 and name HG2%) 3.100 1.200 1.200 peak 666 spectrum 1 weight 0.10000E+01 volume 0.14006E-02 ppm1 0.705 ppm2 1.793 CV 1 OR { 666} ( segid "ATXH" and resid 14 and name HE% ) ( segid "ATXH" and resid 11 and name HG2%) ASSI { 676} (( segid "ATXH" and resid 38 and name HB )) (( segid "ATXH" and resid 38 and name HA )) 3.100 1.200 1.200 peak 676 spectrum 1 weight 0.10000E+01 volume 0.13649E-02 ppm1 4.302 ppm2 2.047 CV 1 OR { 676} (( segid "ATXH" and resid 39 and name HB3 )) (( segid "ATXH" and resid 38 and name HA )) ASSI { 683} (( segid "ATXH" and resid 6 and name HA )) (( segid "ATXH" and resid 5 and name HA )) 3.700 1.700 1.700 peak 683 spectrum 1 weight 0.10000E+01 volume 0.13412E-02 ppm1 4.627 ppm2 5.191 CV 1 OR { 683} (( segid "ATXH" and resid 4 and name HA )) (( segid "ATXH" and resid 5 and name HA )) ASSI { 684} (( segid "ATXH" and resid 47 and name HB )) ( segid "ATXH" and resid 9 and name HD1%) 3.300 1.400 1.400 peak 684 spectrum 1 weight 0.10000E+01 volume 0.13293E-02 ppm1 0.637 ppm2 1.880 CV 1 OR { 684} (( segid "ATXH" and resid 46 and name HB3 )) ( segid "ATXH" and resid 9 and name HD1%) ASSI { 686} (( segid "ATXH" and resid 24 and name HA )) (( segid "ATXH" and resid 27 and name HB )) 3.300 1.400 1.400 peak 686 spectrum 1 weight 0.10000E+01 volume 0.13293E-02 ppm1 2.031 ppm2 3.555 CV 1 OR { 686} (( segid "ATXH" and resid 59 and name HA )) (( segid "ATXH" and resid 60 and name HB )) OR { 686} (( segid "ATXH" and resid 59 and name HA )) (( segid "ATXH" and resid 27 and name HB )) ASSI { 688} (( segid "ATXH" and resid 63 and name HG12)) (( segid "ATXH" and resid 23 and name HA )) 3.400 1.400 1.400 peak 688 spectrum 1 weight 0.10000E+01 volume 0.13174E-02 ppm1 3.445 ppm2 0.900 CV 1 OR { 688} ( segid "ATXH" and resid 27 and name HG2%) (( segid "ATXH" and resid 23 and name HA )) ASSI { 695} (( segid "ATXH" and resid 34 and name HB2 )) (( segid "ATXH" and resid 49 and name HA )) 3.400 1.500 1.500 peak 695 spectrum 1 weight 0.10000E+01 volume 0.12581E-02 ppm1 5.310 ppm2 1.906 CV 1 OR { 695} ( segid "ATXH" and resid 4 and name HE% ) (( segid "ATXH" and resid 49 and name HA )) OR { 695} (( segid "ATXH" and resid 47 and name HB )) (( segid "ATXH" and resid 49 and name HA )) ASSI { 696} (( segid "ATXH" and resid 36 and name HB )) (( segid "ATXH" and resid 36 and name HA )) 3.100 1.200 1.200 peak 696 spectrum 1 weight 0.10000E+01 volume 0.12463E-02 ppm1 4.930 ppm2 1.882 CV 1 OR { 696} (( segid "ATXH" and resid 47 and name HB )) (( segid "ATXH" and resid 36 and name HA )) ASSI { 697} (( segid "ATXH" and resid 57 and name HB2 )) (( segid "ATXH" and resid 55 and name HB )) 3.500 1.600 1.600 peak 697 spectrum 1 weight 0.10000E+01 volume 0.12463E-02 ppm1 4.426 ppm2 1.761 CV 1 OR { 697} (( segid "ATXH" and resid 57 and name HB3 )) (( segid "ATXH" and resid 55 and name HB )) OR { 697} (( segid "ATXH" and resid 56 and name HB2 )) (( segid "ATXH" and resid 55 and name HB )) ASSI { 702} (( segid "ATXH" and resid 45 and name HA )) ( segid "ATXH" and resid 38 and name HG2%) 3.500 1.600 1.600 peak 702 spectrum 1 weight 0.10000E+01 volume 0.12106E-02 ppm1 0.825 ppm2 4.448 CV 1 OR { 702} (( segid "ATXH" and resid 34 and name HA )) ( segid "ATXH" and resid 33 and name HG1%) ASSI { 715} ( segid "ATXH" and resid 53 and name HG1%) (( segid "ATXH" and resid 31 and name HA )) 3.300 1.400 1.400 peak 715 spectrum 1 weight 0.10000E+01 volume 0.11311E-02 ppm1 4.439 ppm2 0.812 CV 1 OR { 715} ( segid "ATXH" and resid 30 and name HD2%) (( segid "ATXH" and resid 31 and name HA )) ASSI { 716} (( segid "ATXH" and resid 8 and name HA )) (( segid "ATXH" and resid 44 and name HB )) 3.600 1.600 1.600 peak 716 spectrum 1 weight 0.10000E+01 volume 0.11311E-02 ppm1 3.953 ppm2 4.845 CV 1 OR { 716} (( segid "ATXH" and resid 9 and name HA )) (( segid "ATXH" and resid 44 and name HB )) ASSI { 719} ( segid "ATXH" and resid 59 and name HD1%) (( segid "ATXH" and resid 30 and name HB2 )) 3.100 1.200 1.200 peak 719 spectrum 1 weight 0.10000E+01 volume 0.11169E-02 ppm1 1.978 ppm2 0.669 CV 1 OR { 719} ( segid "ATXH" and resid 33 and name HG2%) (( segid "ATXH" and resid 30 and name HB2 )) ASSI { 720} ( segid "ATXH" and resid 54 and name HG1%) (( segid "ATXH" and resid 30 and name HB2 )) 3.500 1.500 1.500 peak 720 spectrum 1 weight 0.10000E+01 volume 0.11157E-02 ppm1 1.991 ppm2 1.159 CV 1 OR { 720} (( segid "ATXH" and resid 59 and name HG13)) (( segid "ATXH" and resid 30 and name HB2 )) ASSI { 726} (( segid "ATXH" and resid 59 and name HA )) ( segid "ATXH" and resid 27 and name HG2%) 3.600 1.600 1.600 peak 726 spectrum 1 weight 0.10000E+01 volume 0.10884E-02 ppm1 0.900 ppm2 3.551 CV 1 OR { 726} (( segid "ATXH" and resid 24 and name HA )) ( segid "ATXH" and resid 27 and name HG2%) OR { 726} (( segid "ATXH" and resid 63 and name HA )) ( segid "ATXH" and resid 27 and name HG2%) ASSI { 728} ( segid "ATXH" and resid 63 and name HG2%) (( segid "ATXH" and resid 26 and name HB2 )) 3.600 1.600 1.600 peak 728 spectrum 1 weight 0.10000E+01 volume 0.10777E-02 ppm1 3.914 ppm2 0.819 CV 1 OR { 728} ( segid "ATXH" and resid 30 and name HD2%) (( segid "ATXH" and resid 26 and name HB2 )) OR { 728} ( segid "ATXH" and resid 27 and name HG2%) (( segid "ATXH" and resid 26 and name HB2 )) ASSI { 730} (( segid "ATXH" and resid 9 and name HA )) ( segid "ATXH" and resid 9 and name HD2%) 3.800 1.800 1.800 peak 730 spectrum 1 weight 0.10000E+01 volume 0.10729E-02 ppm1 0.697 ppm2 4.848 CV 1 OR { 730} (( segid "ATXH" and resid 8 and name HA )) ( segid "ATXH" and resid 9 and name HD2%) ASSI { 735} (( segid "ATXH" and resid 63 and name HA )) ( segid "ATXH" and resid 63 and name HD1%) 4.100 2.100 1.900 peak 735 spectrum 1 weight 0.10000E+01 volume 0.10504E-02 ppm1 0.562 ppm2 3.539 CV 1 OR { 735} (( segid "ATXH" and resid 59 and name HA )) ( segid "ATXH" and resid 63 and name HD1%) ASSI { 738} (( segid "ATXH" and resid 27 and name HA )) (( segid "ATXH" and resid 62 and name HB )) 3.400 1.500 1.500 peak 738 spectrum 1 weight 0.10000E+01 volume 0.10445E-02 ppm1 2.196 ppm2 3.696 CV 1 OR { 738} (( segid "ATXH" and resid 26 and name HB3 )) (( segid "ATXH" and resid 62 and name HB )) ASSI { 741} (( segid "ATXH" and resid 63 and name HB )) ( segid "ATXH" and resid 70 and name HG1%) 3.500 1.500 1.500 peak 741 spectrum 1 weight 0.10000E+01 volume 0.10350E-02 ppm1 0.975 ppm2 1.796 CV 1 OR { 741} ( segid "ATXH" and resid 14 and name HE% ) ( segid "ATXH" and resid 38 and name HG1%) OR { 741} (( segid "ATXH" and resid 11 and name HB )) ( segid "ATXH" and resid 70 and name HG1%) ASSI { 742} ( segid "ATXH" and resid 44 and name HG2%) (( segid "ATXH" and resid 10 and name HG2 )) 3.500 1.500 1.500 peak 742 spectrum 1 weight 0.10000E+01 volume 0.10338E-02 ppm1 2.270 ppm2 0.922 CV 1 OR { 742} ( segid "ATXH" and resid 44 and name HG2%) (( segid "ATXH" and resid 10 and name HG3 )) OR { 742} ( segid "ATXH" and resid 70 and name HG1%) (( segid "ATXH" and resid 10 and name HG3 )) OR { 742} ( segid "ATXH" and resid 47 and name HG1%) (( segid "ATXH" and resid 35 and name HG2 )) OR { 742} ( segid "ATXH" and resid 70 and name HG1%) (( segid "ATXH" and resid 10 and name HG2 )) ASSI { 743} (( segid "ATXH" and resid 56 and name HB3 )) (( segid "ATXH" and resid 55 and name HB )) 4.100 2.100 1.900 peak 743 spectrum 1 weight 0.10000E+01 volume 0.10314E-02 ppm1 4.427 ppm2 1.616 CV 1 OR { 743} (( segid "ATXH" and resid 57 and name HD2 )) (( segid "ATXH" and resid 55 and name HB )) ASSI { 744} (( segid "ATXH" and resid 40 and name HA )) ( segid "ATXH" and resid 38 and name HG1%) 3.400 1.400 1.400 peak 744 spectrum 1 weight 0.10000E+01 volume 0.10290E-02 ppm1 0.984 ppm2 3.831 CV 1 OR { 744} (( segid "ATXH" and resid 17 and name HA1 )) ( segid "ATXH" and resid 38 and name HG1%) ASSI { 745} (( segid "ATXH" and resid 5 and name HB2 )) ( segid "ATXH" and resid 7 and name HD1%) 3.500 1.600 1.600 peak 745 spectrum 1 weight 0.10000E+01 volume 0.10219E-02 ppm1 0.785 ppm2 1.997 CV 1 OR { 745} (( segid "ATXH" and resid 6 and name HB2 )) ( segid "ATXH" and resid 7 and name HD1%) OR { 745} (( segid "ATXH" and resid 5 and name HG3 )) ( segid "ATXH" and resid 7 and name HD1%) ASSI { 748} ( segid "ATXH" and resid 48 and name HG2%) (( segid "ATXH" and resid 34 and name HG2 )) 3.500 1.500 1.500 peak 748 spectrum 1 weight 0.10000E+01 volume 0.10148E-02 ppm1 2.198 ppm2 1.090 CV 1 OR { 748} ( segid "ATXH" and resid 8 and name HG2%) (( segid "ATXH" and resid 46 and name HG2 )) ASSI { 749} (( segid "ATXH" and resid 9 and name HA )) ( segid "ATXH" and resid 9 and name HD1%) 4.000 2.000 2.000 peak 749 spectrum 1 weight 0.10000E+01 volume 0.10112E-02 ppm1 0.633 ppm2 4.845 CV 1 OR { 749} (( segid "ATXH" and resid 8 and name HA )) ( segid "ATXH" and resid 9 and name HD1%) ASSI { 752} ( segid "ATXH" and resid 48 and name HG2%) (( segid "ATXH" and resid 6 and name HB3 )) 3.100 1.200 1.200 peak 752 spectrum 1 weight 0.10000E+01 volume 0.99702E-03 ppm1 1.870 ppm2 1.098 CV 1 OR { 752} ( segid "ATXH" and resid 8 and name HG2%) (( segid "ATXH" and resid 42 and name HB3 )) ASSI { 756} (( segid "ATXH" and resid 49 and name HB )) (( segid "ATXH" and resid 5 and name HB3 )) 3.600 1.700 1.700 peak 756 spectrum 1 weight 0.10000E+01 volume 0.97447E-03 ppm1 1.827 ppm2 1.559 CV 1 OR { 756} (( segid "ATXH" and resid 7 and name HB2 )) (( segid "ATXH" and resid 5 and name HB3 )) ASSI { 757} (( segid "ATXH" and resid 10 and name HG3 )) (( segid "ATXH" and resid 11 and name HA )) 3.500 1.600 1.600 peak 757 spectrum 1 weight 0.10000E+01 volume 0.96967E-03 ppm1 4.769 ppm2 2.287 CV 1 OR { 757} (( segid "ATXH" and resid 12 and name HG2 )) (( segid "ATXH" and resid 11 and name HA )) OR { 757} (( segid "ATXH" and resid 68 and name HB3 )) (( segid "ATXH" and resid 11 and name HA )) ASSI { 758} (( segid "ATXH" and resid 47 and name HB )) (( segid "ATXH" and resid 48 and name HA )) 3.900 1.900 1.900 peak 758 spectrum 1 weight 0.10000E+01 volume 0.96373E-03 ppm1 5.241 ppm2 1.882 CV 1 OR { 758} (( segid "ATXH" and resid 6 and name HB3 )) (( segid "ATXH" and resid 48 and name HA )) OR { 758} (( segid "ATXH" and resid 5 and name HB3 )) (( segid "ATXH" and resid 48 and name HA )) OR { 758} ( segid "ATXH" and resid 4 and name HE% ) (( segid "ATXH" and resid 48 and name HA )) ASSI { 759} ( segid "ATXH" and resid 62 and name HG1%) (( segid "ATXH" and resid 30 and name HG )) 3.600 1.700 1.700 peak 759 spectrum 1 weight 0.10000E+01 volume 0.96022E-03 ppm1 1.852 ppm2 1.161 CV 1 OR { 759} (( segid "ATXH" and resid 59 and name HG13)) (( segid "ATXH" and resid 30 and name HG )) ASSI { 761} ( segid "ATXH" and resid 36 and name HG2%) (( segid "ATXH" and resid 28 and name HE2 )) 3.200 1.300 1.300 peak 761 spectrum 1 weight 0.10000E+01 volume 0.94361E-03 ppm1 2.949 ppm2 0.822 CV 1 OR { 761} ( segid "ATXH" and resid 36 and name HG1%) (( segid "ATXH" and resid 28 and name HE2 )) OR { 761} ( segid "ATXH" and resid 60 and name HG2%) (( segid "ATXH" and resid 57 and name HE3 )) OR { 761} ( segid "ATXH" and resid 60 and name HG2%) (( segid "ATXH" and resid 57 and name HE2 )) OR { 761} ( segid "ATXH" and resid 33 and name HG1%) (( segid "ATXH" and resid 28 and name HE2 )) ASSI { 766} (( segid "ATXH" and resid 30 and name HG )) ( segid "ATXH" and resid 59 and name HD1%) 3.500 1.500 1.500 peak 766 spectrum 1 weight 0.10000E+01 volume 0.92457E-03 ppm1 0.687 ppm2 1.899 CV 1 OR { 766} (( segid "ATXH" and resid 47 and name HB )) ( segid "ATXH" and resid 59 and name HD1%) ASSI { 770} (( segid "ATXH" and resid 56 and name HA )) ( segid "ATXH" and resid 59 and name HG2%) 3.900 1.900 1.900 peak 770 spectrum 1 weight 0.10000E+01 volume 0.92105E-03 ppm1 0.754 ppm2 3.869 CV 1 OR { 770} (( segid "ATXH" and resid 26 and name HB2 )) ( segid "ATXH" and resid 59 and name HG2%) OR { 770} (( segid "ATXH" and resid 57 and name HA )) ( segid "ATXH" and resid 59 and name HG2%) ASSI { 774} (( segid "ATXH" and resid 7 and name HB2 )) (( segid "ATXH" and resid 8 and name HA )) 4.000 2.000 2.000 peak 774 spectrum 1 weight 0.10000E+01 volume 0.90917E-03 ppm1 4.864 ppm2 1.559 CV 1 OR { 774} (( segid "ATXH" and resid 9 and name HB2 )) (( segid "ATXH" and resid 8 and name HA )) ASSI { 775} (( segid "ATXH" and resid 49 and name HB )) ( segid "ATXH" and resid 33 and name HG1%) 3.800 1.800 1.800 peak 775 spectrum 1 weight 0.10000E+01 volume 0.90795E-03 ppm1 0.827 ppm2 1.590 CV 1 OR { 775} (( segid "ATXH" and resid 23 and name HG13)) ( segid "ATXH" and resid 38 and name HG2%) OR { 775} (( segid "ATXH" and resid 23 and name HG12)) ( segid "ATXH" and resid 38 and name HG2%) OR { 775} (( segid "ATXH" and resid 34 and name HB3 )) ( segid "ATXH" and resid 33 and name HG1%) ASSI { 776} (( segid "ATXH" and resid 59 and name HG13)) (( segid "ATXH" and resid 58 and name HA )) 4.100 2.100 1.900 peak 776 spectrum 1 weight 0.10000E+01 volume 0.89850E-03 ppm1 4.361 ppm2 1.159 CV 1 OR { 776} ( segid "ATXH" and resid 62 and name HG1%) (( segid "ATXH" and resid 58 and name HA )) OR { 776} ( segid "ATXH" and resid 55 and name HG2%) (( segid "ATXH" and resid 58 and name HA )) ASSI { 778} (( segid "ATXH" and resid 56 and name HA )) (( segid "ATXH" and resid 59 and name HA )) 4.000 2.000 2.000 peak 778 spectrum 1 weight 0.10000E+01 volume 0.89492E-03 ppm1 3.518 ppm2 3.852 CV 1 OR { 778} (( segid "ATXH" and resid 62 and name HA )) (( segid "ATXH" and resid 59 and name HA )) OR { 778} (( segid "ATXH" and resid 57 and name HA )) (( segid "ATXH" and resid 59 and name HA )) ASSI { 788} (( segid "ATXH" and resid 29 and name HA )) (( segid "ATXH" and resid 28 and name HG2 )) 3.900 1.900 1.900 peak 788 spectrum 1 weight 0.10000E+01 volume 0.87358E-03 ppm1 1.468 ppm2 4.049 CV 1 OR { 788} (( segid "ATXH" and resid 25 and name HA )) (( segid "ATXH" and resid 28 and name HG2 )) ASSI { 796} (( segid "ATXH" and resid 47 and name HB )) (( segid "ATXH" and resid 7 and name HB3 )) 3.500 1.500 1.500 peak 796 spectrum 1 weight 0.10000E+01 volume 0.84151E-03 ppm1 1.400 ppm2 1.878 CV 1 OR { 796} (( segid "ATXH" and resid 5 and name HB3 )) (( segid "ATXH" and resid 7 and name HB3 )) OR { 796} (( segid "ATXH" and resid 6 and name HB3 )) (( segid "ATXH" and resid 7 and name HB3 )) ASSI { 800} (( segid "ATXH" and resid 39 and name HB2 )) (( segid "ATXH" and resid 44 and name HA )) 4.000 2.000 2.000 peak 800 spectrum 1 weight 0.10000E+01 volume 0.81896E-03 ppm1 5.492 ppm2 2.278 CV 1 OR { 800} (( segid "ATXH" and resid 10 and name HG2 )) (( segid "ATXH" and resid 44 and name HA )) OR { 800} (( segid "ATXH" and resid 10 and name HG3 )) (( segid "ATXH" and resid 44 and name HA )) ASSI { 804} (( segid "ATXH" and resid 26 and name HA )) ( segid "ATXH" and resid 62 and name HG1%) 3.200 1.300 1.300 peak 804 spectrum 1 weight 0.10000E+01 volume 0.80471E-03 ppm1 1.158 ppm2 4.190 CV 1 OR { 804} (( segid "ATXH" and resid 32 and name HA2 )) ( segid "ATXH" and resid 54 and name HG1%) ASSI { 808} (( segid "ATXH" and resid 27 and name HB )) ( segid "ATXH" and resid 27 and name HG2%) 3.400 1.400 1.400 peak 808 spectrum 1 weight 0.10000E+01 volume 0.79762E-03 ppm1 0.833 ppm2 1.992 CV 1 OR { 808} (( segid "ATXH" and resid 30 and name HB2 )) ( segid "ATXH" and resid 30 and name HD2%) ASSI { 810} ( segid "ATXH" and resid 54 and name HG2%) (( segid "ATXH" and resid 32 and name HA1 )) 3.600 1.600 1.600 peak 810 spectrum 1 weight 0.10000E+01 volume 0.79640E-03 ppm1 3.672 ppm2 0.726 CV 1 OR { 810} ( segid "ATXH" and resid 49 and name HG2%) (( segid "ATXH" and resid 32 and name HA1 )) ASSI { 813} (( segid "ATXH" and resid 43 and name HA2 )) (( segid "ATXH" and resid 39 and name HB3 )) 4.300 2.300 1.700 peak 813 spectrum 1 weight 0.10000E+01 volume 0.78810E-03 ppm1 2.017 ppm2 4.050 CV 1 OR { 813} (( segid "ATXH" and resid 41 and name HA )) (( segid "ATXH" and resid 39 and name HB3 )) ASSI { 822} (( segid "ATXH" and resid 62 and name HA )) ( segid "ATXH" and resid 61 and name HB% ) 3.800 1.800 1.800 peak 822 spectrum 1 weight 0.10000E+01 volume 0.76196E-03 ppm1 1.489 ppm2 3.863 CV 1 OR { 822} (( segid "ATXH" and resid 57 and name HA )) ( segid "ATXH" and resid 61 and name HB% ) ASSI { 824} (( segid "ATXH" and resid 24 and name HB2 )) (( segid "ATXH" and resid 21 and name HA )) 3.800 1.800 1.800 peak 824 spectrum 1 weight 0.10000E+01 volume 0.76082E-03 ppm1 4.439 ppm2 2.092 CV 1 OR { 824} (( segid "ATXH" and resid 34 and name HG3 )) (( segid "ATXH" and resid 34 and name HA )) ASSI { 827} ( segid "ATXH" and resid 45 and name HG1%) (( segid "ATXH" and resid 44 and name HB )) 3.400 1.400 1.400 peak 827 spectrum 1 weight 0.10000E+01 volume 0.74772E-03 ppm1 3.959 ppm2 0.779 CV 1 OR { 827} ( segid "ATXH" and resid 47 and name HG2%) (( segid "ATXH" and resid 44 and name HB )) OR { 827} ( segid "ATXH" and resid 38 and name HG2%) (( segid "ATXH" and resid 44 and name HB )) OR { 827} ( segid "ATXH" and resid 7 and name HD1%) (( segid "ATXH" and resid 44 and name HB )) ASSI { 829} (( segid "ATXH" and resid 52 and name HB3 )) ( segid "ATXH" and resid 53 and name HG2%) 3.600 1.600 1.600 peak 829 spectrum 1 weight 0.10000E+01 volume 0.74657E-03 ppm1 0.841 ppm2 3.849 CV 1 OR { 829} (( segid "ATXH" and resid 57 and name HA )) ( segid "ATXH" and resid 60 and name HG2%) OR { 829} (( segid "ATXH" and resid 56 and name HA )) ( segid "ATXH" and resid 60 and name HG2%) ASSI { 837} ( segid "ATXH" and resid 47 and name HG1%) (( segid "ATXH" and resid 46 and name HA )) 4.200 2.200 1.800 peak 837 spectrum 1 weight 0.10000E+01 volume 0.71807E-03 ppm1 5.254 ppm2 0.876 CV 1 OR { 837} ( segid "ATXH" and resid 44 and name HG2%) (( segid "ATXH" and resid 46 and name HA )) OR { 837} ( segid "ATXH" and resid 7 and name HD2%) (( segid "ATXH" and resid 46 and name HA )) OR { 837} ( segid "ATXH" and resid 36 and name HG2%) (( segid "ATXH" and resid 46 and name HA )) OR { 837} ( segid "ATXH" and resid 27 and name HG1%) (( segid "ATXH" and resid 46 and name HA )) ASSI { 838} ( segid "ATXH" and resid 70 and name HG2%) (( segid "ATXH" and resid 9 and name HB3 )) 3.300 1.400 1.400 peak 838 spectrum 1 weight 0.10000E+01 volume 0.71571E-03 ppm1 1.251 ppm2 0.949 CV 1 OR { 838} ( segid "ATXH" and resid 70 and name HG1%) (( segid "ATXH" and resid 9 and name HB3 )) OR { 838} ( segid "ATXH" and resid 60 and name HG1%) (( segid "ATXH" and resid 9 and name HB3 )) OR { 838} ( segid "ATXH" and resid 44 and name HG2%) (( segid "ATXH" and resid 9 and name HB3 )) ASSI { 844} (( segid "ATXH" and resid 10 and name HB2 )) (( segid "ATXH" and resid 44 and name HB )) 4.200 2.200 1.800 peak 844 spectrum 1 weight 0.10000E+01 volume 0.69673E-03 ppm1 3.971 ppm2 2.173 CV 1 OR { 844} (( segid "ATXH" and resid 39 and name HG2 )) (( segid "ATXH" and resid 44 and name HB )) ASSI { 845} ( segid "ATXH" and resid 33 and name HG1%) (( segid "ATXH" and resid 59 and name HG13)) 3.900 1.900 1.900 peak 845 spectrum 1 weight 0.10000E+01 volume 0.69673E-03 ppm1 1.110 ppm2 0.876 CV 1 OR { 845} ( segid "ATXH" and resid 27 and name HG2%) (( segid "ATXH" and resid 59 and name HG13)) OR { 845} ( segid "ATXH" and resid 30 and name HD1%) (( segid "ATXH" and resid 59 and name HG13)) OR { 845} ( segid "ATXH" and resid 27 and name HG1%) (( segid "ATXH" and resid 59 and name HG13)) OR { 845} ( segid "ATXH" and resid 47 and name HG1%) (( segid "ATXH" and resid 59 and name HG13)) OR { 845} (( segid "ATXH" and resid 49 and name HG12)) (( segid "ATXH" and resid 59 and name HG13)) ASSI { 849} (( segid "ATXH" and resid 66 and name HB2 )) ( segid "ATXH" and resid 63 and name HG2%) 3.700 1.700 1.700 peak 849 spectrum 1 weight 0.10000E+01 volume 0.69079E-03 ppm1 0.778 ppm2 2.459 CV 1 OR { 849} (( segid "ATXH" and resid 64 and name HG3 )) ( segid "ATXH" and resid 63 and name HG2%) OR { 849} (( segid "ATXH" and resid 66 and name HG2 )) ( segid "ATXH" and resid 63 and name HG2%) OR { 849} (( segid "ATXH" and resid 66 and name HG3 )) ( segid "ATXH" and resid 63 and name HG2%) ASSI { 854} (( segid "ATXH" and resid 33 and name HA )) ( segid "ATXH" and resid 47 and name HG1%) 4.000 2.000 2.000 peak 854 spectrum 1 weight 0.10000E+01 volume 0.66348E-03 ppm1 0.880 ppm2 4.076 CV 1 OR { 854} (( segid "ATXH" and resid 29 and name HA )) ( segid "ATXH" and resid 30 and name HD2%) ASSI { 861} ( segid "ATXH" and resid 40 and name HD1%) (( segid "ATXH" and resid 14 and name HB2 )) 3.500 1.600 1.600 peak 861 spectrum 1 weight 0.10000E+01 volume 0.64567E-03 ppm1 2.274 ppm2 0.809 CV 1 OR { 861} ( segid "ATXH" and resid 40 and name HD2%) (( segid "ATXH" and resid 14 and name HB2 )) OR { 861} ( segid "ATXH" and resid 36 and name HG1%) (( segid "ATXH" and resid 35 and name HG2 )) OR { 861} ( segid "ATXH" and resid 36 and name HG2%) (( segid "ATXH" and resid 35 and name HG2 )) OR { 861} ( segid "ATXH" and resid 47 and name HG2%) (( segid "ATXH" and resid 35 and name HG2 )) OR { 861} ( segid "ATXH" and resid 33 and name HG1%) (( segid "ATXH" and resid 35 and name HG2 )) ASSI { 863} ( segid "ATXH" and resid 48 and name HG2%) (( segid "ATXH" and resid 49 and name HA )) 3.900 1.900 1.900 peak 863 spectrum 1 weight 0.10000E+01 volume 0.63618E-03 ppm1 5.309 ppm2 1.110 CV 1 OR { 863} ( segid "ATXH" and resid 54 and name HG1%) (( segid "ATXH" and resid 49 and name HA )) ASSI { 866} (( segid "ATXH" and resid 38 and name HB )) ( segid "ATXH" and resid 23 and name HD1%) 4.000 2.000 2.000 peak 866 spectrum 1 weight 0.10000E+01 volume 0.62787E-03 ppm1 0.148 ppm2 2.008 CV 1 OR { 866} (( segid "ATXH" and resid 14 and name HG2 )) ( segid "ATXH" and resid 23 and name HD1%) OR { 866} (( segid "ATXH" and resid 27 and name HB )) ( segid "ATXH" and resid 23 and name HD1%) OR { 866} (( segid "ATXH" and resid 14 and name HG3 )) ( segid "ATXH" and resid 23 and name HD1%) OR { 866} (( segid "ATXH" and resid 24 and name HB2 )) ( segid "ATXH" and resid 23 and name HD1%) ASSI { 868} (( segid "ATXH" and resid 49 and name HG12)) (( segid "ATXH" and resid 4 and name HA )) 4.100 2.100 1.900 peak 868 spectrum 1 weight 0.10000E+01 volume 0.62668E-03 ppm1 5.194 ppm2 0.846 CV 1 OR { 868} (( segid "ATXH" and resid 7 and name HG )) (( segid "ATXH" and resid 6 and name HA )) OR { 868} ( segid "ATXH" and resid 7 and name HD1%) (( segid "ATXH" and resid 6 and name HA )) OR { 868} ( segid "ATXH" and resid 7 and name HD2%) (( segid "ATXH" and resid 6 and name HA )) OR { 868} ( segid "ATXH" and resid 47 and name HG1%) (( segid "ATXH" and resid 6 and name HA )) ASSI { 872} ( segid "ATXH" and resid 11 and name HG2%) (( segid "ATXH" and resid 10 and name HG3 )) 4.100 2.100 1.900 peak 872 spectrum 1 weight 0.10000E+01 volume 0.61600E-03 ppm1 2.264 ppm2 0.659 CV 1 OR { 872} (( segid "ATXH" and resid 9 and name HG )) (( segid "ATXH" and resid 10 and name HG2 )) OR { 872} ( segid "ATXH" and resid 11 and name HG2%) (( segid "ATXH" and resid 10 and name HG2 )) OR { 872} ( segid "ATXH" and resid 11 and name HG1%) (( segid "ATXH" and resid 10 and name HG3 )) OR { 872} ( segid "ATXH" and resid 9 and name HD2%) (( segid "ATXH" and resid 10 and name HG2 )) OR { 872} (( segid "ATXH" and resid 9 and name HG )) (( segid "ATXH" and resid 10 and name HG3 )) OR { 872} ( segid "ATXH" and resid 9 and name HD1%) (( segid "ATXH" and resid 10 and name HG2 )) OR { 872} ( segid "ATXH" and resid 9 and name HD1%) (( segid "ATXH" and resid 10 and name HG3 )) ASSI { 873} (( segid "ATXH" and resid 59 and name HB )) ( segid "ATXH" and resid 9 and name HD1%) 3.700 1.700 1.700 peak 873 spectrum 1 weight 0.10000E+01 volume 0.61481E-03 ppm1 0.635 ppm2 2.011 CV 1 OR { 873} (( segid "ATXH" and resid 70 and name HB )) ( segid "ATXH" and resid 9 and name HD1%) OR { 873} (( segid "ATXH" and resid 27 and name HB )) ( segid "ATXH" and resid 9 and name HD1%) OR { 873} (( segid "ATXH" and resid 60 and name HB )) ( segid "ATXH" and resid 9 and name HD1%) OR { 873} (( segid "ATXH" and resid 46 and name HB2 )) ( segid "ATXH" and resid 9 and name HD1%) ASSI { 874} (( segid "ATXH" and resid 52 and name HB3 )) ( segid "ATXH" and resid 3 and name HB% ) 3.900 1.900 1.900 peak 874 spectrum 1 weight 0.10000E+01 volume 0.61125E-03 ppm1 1.360 ppm2 3.834 CV 1 OR { 874} (( segid "ATXH" and resid 51 and name HB3 )) ( segid "ATXH" and resid 3 and name HB% ) ASSI { 879} ( segid "ATXH" and resid 61 and name HB% ) ( segid "ATXH" and resid 60 and name HG2%) 4.300 2.300 1.700 peak 879 spectrum 1 weight 0.10000E+01 volume 0.60532E-03 ppm1 0.841 ppm2 1.477 CV 1 OR { 879} (( segid "ATXH" and resid 57 and name HG2 )) ( segid "ATXH" and resid 60 and name HG2%) OR { 879} (( segid "ATXH" and resid 59 and name HG12)) ( segid "ATXH" and resid 60 and name HG2%) ASSI { 881} ( segid "ATXH" and resid 45 and name HG2%) (( segid "ATXH" and resid 46 and name HA )) 4.000 2.000 2.000 peak 881 spectrum 1 weight 0.10000E+01 volume 0.60176E-03 ppm1 5.258 ppm2 0.601 CV 1 OR { 881} ( segid "ATXH" and resid 9 and name HD1%) (( segid "ATXH" and resid 46 and name HA )) OR { 881} (( segid "ATXH" and resid 9 and name HG )) (( segid "ATXH" and resid 46 and name HA )) ASSI { 883} (( segid "ATXH" and resid 58 and name HB3 )) ( segid "ATXH" and resid 54 and name HG1%) 4.200 2.200 1.800 peak 883 spectrum 1 weight 0.10000E+01 volume 0.59108E-03 ppm1 1.153 ppm2 2.590 CV 1 OR { 883} (( segid "ATXH" and resid 31 and name HB3 )) ( segid "ATXH" and resid 54 and name HG1%) ASSI { 895} ( segid "ATXH" and resid 45 and name HG1%) (( segid "ATXH" and resid 39 and name HA )) 3.600 1.700 1.700 peak 895 spectrum 1 weight 0.10000E+01 volume 0.55309E-03 ppm1 4.739 ppm2 0.704 CV 1 OR { 895} ( segid "ATXH" and resid 11 and name HG2%) (( segid "ATXH" and resid 39 and name HA )) ASSI { 903} ( segid "ATXH" and resid 60 and name HG2%) (( segid "ATXH" and resid 64 and name HG3 )) 4.000 2.000 2.000 peak 903 spectrum 1 weight 0.10000E+01 volume 0.52817E-03 ppm1 2.467 ppm2 0.841 CV 1 OR { 903} ( segid "ATXH" and resid 63 and name HG2%) (( segid "ATXH" and resid 64 and name HG3 )) ASSI { 904} ( segid "ATXH" and resid 59 and name HG2%) (( segid "ATXH" and resid 63 and name HG13)) 3.900 1.900 1.900 peak 904 spectrum 1 weight 0.10000E+01 volume 0.52342E-03 ppm1 0.571 ppm2 0.758 CV 1 OR { 904} ( segid "ATXH" and resid 63 and name HG2%) (( segid "ATXH" and resid 63 and name HG13)) ASSI { 906} (( segid "ATXH" and resid 28 and name HD2 )) ( segid "ATXH" and resid 36 and name HG1%) 4.000 2.000 2.000 peak 906 spectrum 1 weight 0.10000E+01 volume 0.52223E-03 ppm1 0.751 ppm2 1.639 CV 1 OR { 906} (( segid "ATXH" and resid 23 and name HG13)) ( segid "ATXH" and resid 36 and name HG1%) OR { 906} (( segid "ATXH" and resid 37 and name HB3 )) ( segid "ATXH" and resid 36 and name HG1%) OR { 906} (( segid "ATXH" and resid 23 and name HG12)) ( segid "ATXH" and resid 36 and name HG1%) ASSI { 908} ( segid "ATXH" and resid 47 and name HG2%) (( segid "ATXH" and resid 46 and name HA )) 4.000 2.000 2.000 peak 908 spectrum 1 weight 0.10000E+01 volume 0.51867E-03 ppm1 5.254 ppm2 0.797 CV 1 OR { 908} ( segid "ATXH" and resid 45 and name HG1%) (( segid "ATXH" and resid 46 and name HA )) ASSI { 914} (( segid "ATXH" and resid 57 and name HG3 )) ( segid "ATXH" and resid 60 and name HG2%) 4.200 2.200 1.800 peak 914 spectrum 1 weight 0.10000E+01 volume 0.49493E-03 ppm1 0.805 ppm2 1.400 CV 1 OR { 914} (( segid "ATXH" and resid 7 and name HB3 )) ( segid "ATXH" and resid 47 and name HG2%) OR { 914} (( segid "ATXH" and resid 57 and name HG2 )) ( segid "ATXH" and resid 60 and name HG2%) OR { 914} ( segid "ATXH" and resid 3 and name HB% ) ( segid "ATXH" and resid 53 and name HG2%) ASSI { 919} ( segid "ATXH" and resid 47 and name HG1%) (( segid "ATXH" and resid 48 and name HA )) 4.200 2.200 1.800 peak 919 spectrum 1 weight 0.10000E+01 volume 0.48544E-03 ppm1 5.235 ppm2 0.868 CV 1 OR { 919} (( segid "ATXH" and resid 49 and name HG12)) (( segid "ATXH" and resid 48 and name HA )) ASSI { 925} (( segid "ATXH" and resid 33 and name HB )) (( segid "ATXH" and resid 49 and name HA )) 4.600 2.600 1.400 peak 925 spectrum 1 weight 0.10000E+01 volume 0.46764E-03 ppm1 5.307 ppm2 2.231 CV 1 OR { 925} (( segid "ATXH" and resid 34 and name HG2 )) (( segid "ATXH" and resid 49 and name HA )) ASSI { 927} (( segid "ATXH" and resid 7 and name HB2 )) (( segid "ATXH" and resid 46 and name HA )) 4.300 2.300 1.700 peak 927 spectrum 1 weight 0.10000E+01 volume 0.46407E-03 ppm1 5.256 ppm2 1.598 CV 1 OR { 927} (( segid "ATXH" and resid 37 and name HB3 )) (( segid "ATXH" and resid 46 and name HA )) OR { 927} (( segid "ATXH" and resid 9 and name HB2 )) (( segid "ATXH" and resid 46 and name HA )) OR { 927} (( segid "ATXH" and resid 37 and name HD2 )) (( segid "ATXH" and resid 46 and name HA )) ASSI { 928} (( segid "ATXH" and resid 30 and name HB2 )) ( segid "ATXH" and resid 54 and name HG1%) 4.500 2.500 1.500 peak 928 spectrum 1 weight 0.10000E+01 volume 0.46289E-03 ppm1 1.149 ppm2 1.991 CV 1 OR { 928} (( segid "ATXH" and resid 53 and name HB )) ( segid "ATXH" and resid 54 and name HG1%) ASSI { 929} (( segid "ATXH" and resid 20 and name HA )) ( segid "ATXH" and resid 38 and name HG2%) 3.800 1.800 1.800 peak 929 spectrum 1 weight 0.10000E+01 volume 0.46051E-03 ppm1 0.821 ppm2 3.535 CV 1 OR { 929} (( segid "ATXH" and resid 24 and name HA )) ( segid "ATXH" and resid 38 and name HG2%) ASSI { 932} (( segid "ATXH" and resid 70 and name HB )) (( segid "ATXH" and resid 11 and name HA )) 4.200 2.200 1.800 peak 932 spectrum 1 weight 0.10000E+01 volume 0.45458E-03 ppm1 4.765 ppm2 2.100 CV 1 OR { 932} (( segid "ATXH" and resid 12 and name HB2 )) (( segid "ATXH" and resid 11 and name HA )) OR { 932} (( segid "ATXH" and resid 10 and name HB2 )) (( segid "ATXH" and resid 11 and name HA )) ASSI { 935} (( segid "ATXH" and resid 59 and name HA )) ( segid "ATXH" and resid 27 and name HG2%) 4.200 2.200 1.800 peak 935 spectrum 1 weight 0.10000E+01 volume 0.44153E-03 ppm1 0.834 ppm2 3.501 CV 1 OR { 935} (( segid "ATXH" and resid 59 and name HA )) ( segid "ATXH" and resid 30 and name HD2%) OR { 935} (( segid "ATXH" and resid 24 and name HA )) ( segid "ATXH" and resid 27 and name HG2%) OR { 935} (( segid "ATXH" and resid 63 and name HA )) ( segid "ATXH" and resid 27 and name HG2%) ASSI { 936} (( segid "ATXH" and resid 49 and name HG12)) ( segid "ATXH" and resid 4 and name HE% ) 4.200 2.200 1.800 peak 936 spectrum 1 weight 0.10000E+01 volume 0.43559E-03 ppm1 1.915 ppm2 0.813 CV 1 OR { 936} ( segid "ATXH" and resid 53 and name HG2%) ( segid "ATXH" and resid 4 and name HE% ) OR { 936} ( segid "ATXH" and resid 33 and name HG1%) ( segid "ATXH" and resid 4 and name HE% ) OR { 936} ( segid "ATXH" and resid 47 and name HG2%) ( segid "ATXH" and resid 4 and name HE% ) ASSI { 938} (( segid "ATXH" and resid 5 and name HA )) ( segid "ATXH" and resid 48 and name HG2%) 4.200 2.200 1.800 peak 938 spectrum 1 weight 0.10000E+01 volume 0.43203E-03 ppm1 1.106 ppm2 4.627 CV 1 OR { 938} (( segid "ATXH" and resid 35 and name HA )) ( segid "ATXH" and resid 48 and name HG2%) ASSI { 943} ( segid "ATXH" and resid 23 and name HD1%) (( segid "ATXH" and resid 63 and name HA )) 4.600 2.700 1.400 peak 943 spectrum 1 weight 0.10000E+01 volume 0.41660E-03 ppm1 3.526 ppm2 0.145 CV 1 OR { 943} ( segid "ATXH" and resid 23 and name HD1%) (( segid "ATXH" and resid 20 and name HA )) ASSI { 947} ( segid "ATXH" and resid 59 and name HD1%) (( segid "ATXH" and resid 30 and name HB2 )) 4.100 2.100 1.900 peak 947 spectrum 1 weight 0.10000E+01 volume 0.40948E-03 ppm1 1.962 ppm2 0.734 CV 1 OR { 947} ( segid "ATXH" and resid 54 and name HG2%) (( segid "ATXH" and resid 30 and name HB2 )) OR { 947} ( segid "ATXH" and resid 49 and name HG2%) (( segid "ATXH" and resid 30 and name HB2 )) ASSI { 951} (( segid "ATXH" and resid 49 and name HG12)) (( segid "ATXH" and resid 51 and name HB3 )) 4.000 2.000 2.000 peak 951 spectrum 1 weight 0.10000E+01 volume 0.39880E-03 ppm1 3.813 ppm2 0.860 CV 1 OR { 951} ( segid "ATXH" and resid 56 and name HD2%) (( segid "ATXH" and resid 51 and name HB3 )) OR { 951} ( segid "ATXH" and resid 56 and name HD1%) (( segid "ATXH" and resid 51 and name HB3 )) ASSI { 952} (( segid "ATXH" and resid 11 and name HA )) ( segid "ATXH" and resid 14 and name HE% ) 4.600 2.700 1.400 peak 952 spectrum 1 weight 0.10000E+01 volume 0.39405E-03 ppm1 1.755 ppm2 4.747 CV 1 OR { 952} (( segid "ATXH" and resid 39 and name HA )) ( segid "ATXH" and resid 14 and name HE% ) ASSI { 954} ( segid "ATXH" and resid 56 and name HD2%) (( segid "ATXH" and resid 55 and name HA )) 4.200 2.200 1.800 peak 954 spectrum 1 weight 0.10000E+01 volume 0.39168E-03 ppm1 4.810 ppm2 0.846 CV 1 OR { 954} (( segid "ATXH" and resid 56 and name HG )) (( segid "ATXH" and resid 55 and name HA )) OR { 954} ( segid "ATXH" and resid 56 and name HD1%) (( segid "ATXH" and resid 55 and name HA )) OR { 954} (( segid "ATXH" and resid 49 and name HG12)) (( segid "ATXH" and resid 55 and name HA )) ASSI { 960} (( segid "ATXH" and resid 49 and name HG12)) (( segid "ATXH" and resid 50 and name HA )) 4.200 2.200 1.800 peak 960 spectrum 1 weight 0.10000E+01 volume 0.37981E-03 ppm1 5.023 ppm2 0.824 CV 1 OR { 960} ( segid "ATXH" and resid 53 and name HG2%) (( segid "ATXH" and resid 50 and name HA )) OR { 960} ( segid "ATXH" and resid 33 and name HG1%) (( segid "ATXH" and resid 50 and name HA )) ASSI { 961} (( segid "ATXH" and resid 59 and name HB )) ( segid "ATXH" and resid 63 and name HD1%) 4.600 2.600 1.400 peak 961 spectrum 1 weight 0.10000E+01 volume 0.37268E-03 ppm1 0.561 ppm2 2.022 CV 1 OR { 961} (( segid "ATXH" and resid 27 and name HB )) ( segid "ATXH" and resid 63 and name HD1%) OR { 961} (( segid "ATXH" and resid 60 and name HB )) ( segid "ATXH" and resid 63 and name HD1%) ASSI { 963} ( segid "ATXH" and resid 62 and name HG2%) (( segid "ATXH" and resid 58 and name HA )) 4.200 2.300 1.800 peak 963 spectrum 1 weight 0.10000E+01 volume 0.35132E-03 ppm1 4.361 ppm2 0.856 CV 1 OR { 963} ( segid "ATXH" and resid 30 and name HD1%) (( segid "ATXH" and resid 58 and name HA )) OR { 963} ( segid "ATXH" and resid 60 and name HG2%) (( segid "ATXH" and resid 58 and name HA )) ASSI { 964} (( segid "ATXH" and resid 23 and name HG13)) (( segid "ATXH" and resid 25 and name HA )) 4.400 2.400 1.600 peak 964 spectrum 1 weight 0.10000E+01 volume 0.35014E-03 ppm1 4.049 ppm2 1.575 CV 1 OR { 964} ( segid "ATXH" and resid 22 and name HB% ) (( segid "ATXH" and resid 25 and name HA )) OR { 964} (( segid "ATXH" and resid 23 and name HG12)) (( segid "ATXH" and resid 25 and name HA )) ASSI { 965} (( segid "ATXH" and resid 37 and name HB3 )) (( segid "ATXH" and resid 38 and name HA )) 4.300 2.300 1.700 peak 965 spectrum 1 weight 0.10000E+01 volume 0.35014E-03 ppm1 4.307 ppm2 1.607 CV 1 OR { 965} (( segid "ATXH" and resid 23 and name HG13)) (( segid "ATXH" and resid 38 and name HA )) OR { 965} (( segid "ATXH" and resid 23 and name HG12)) (( segid "ATXH" and resid 38 and name HA )) ASSI { 966} ( segid "ATXH" and resid 30 and name HD2%) (( segid "ATXH" and resid 29 and name HA )) 3.700 1.700 1.700 peak 966 spectrum 1 weight 0.10000E+01 volume 0.35014E-03 ppm1 4.052 ppm2 0.850 CV 1 OR { 966} ( segid "ATXH" and resid 33 and name HG1%) (( segid "ATXH" and resid 29 and name HA )) OR { 966} ( segid "ATXH" and resid 27 and name HG2%) (( segid "ATXH" and resid 29 and name HA )) OR { 966} ( segid "ATXH" and resid 27 and name HG1%) (( segid "ATXH" and resid 29 and name HA )) ASSI { 973} (( segid "ATXH" and resid 70 and name HB )) ( segid "ATXH" and resid 9 and name HD2%) 4.100 2.100 1.900 peak 973 spectrum 1 weight 0.10000E+01 volume 0.33471E-03 ppm1 0.704 ppm2 2.020 CV 1 OR { 973} (( segid "ATXH" and resid 59 and name HB )) ( segid "ATXH" and resid 9 and name HD2%) OR { 973} (( segid "ATXH" and resid 27 and name HB )) ( segid "ATXH" and resid 9 and name HD2%) OR { 973} (( segid "ATXH" and resid 60 and name HB )) ( segid "ATXH" and resid 9 and name HD2%) OR { 973} (( segid "ATXH" and resid 46 and name HB2 )) ( segid "ATXH" and resid 9 and name HD2%) ASSI { 975} (( segid "ATXH" and resid 4 and name HA )) (( segid "ATXH" and resid 5 and name HB2 )) 4.600 2.600 1.400 peak 975 spectrum 1 weight 0.10000E+01 volume 0.32521E-03 ppm1 1.999 ppm2 5.180 CV 1 OR { 975} (( segid "ATXH" and resid 48 and name HA )) (( segid "ATXH" and resid 5 and name HB2 )) ASSI { 977} (( segid "ATXH" and resid 11 and name HB )) (( segid "ATXH" and resid 44 and name HA )) 4.400 2.400 1.600 peak 977 spectrum 1 weight 0.10000E+01 volume 0.32046E-03 ppm1 5.493 ppm2 1.768 CV 1 OR { 977} (( segid "ATXH" and resid 45 and name HB )) (( segid "ATXH" and resid 44 and name HA )) ASSI { 979} (( segid "ATXH" and resid 66 and name HG2 )) (( segid "ATXH" and resid 26 and name HA )) 3.600 1.600 1.600 peak 979 spectrum 1 weight 0.10000E+01 volume 0.31096E-03 ppm1 4.153 ppm2 2.476 CV 1 OR { 979} (( segid "ATXH" and resid 66 and name HG3 )) (( segid "ATXH" and resid 26 and name HA )) OR { 979} (( segid "ATXH" and resid 29 and name HG2 )) (( segid "ATXH" and resid 26 and name HA )) ASSI { 980} (( segid "ATXH" and resid 10 and name HB2 )) (( segid "ATXH" and resid 44 and name HA )) 5.000 3.100 1.000 peak 980 spectrum 1 weight 0.10000E+01 volume 0.30504E-03 ppm1 5.493 ppm2 2.092 CV 1 OR { 980} (( segid "ATXH" and resid 42 and name HB2 )) (( segid "ATXH" and resid 44 and name HA )) ASSI { 981} (( segid "ATXH" and resid 4 and name HA )) (( segid "ATXH" and resid 5 and name HB3 )) 4.700 2.800 1.300 peak 981 spectrum 1 weight 0.10000E+01 volume 0.30385E-03 ppm1 1.826 ppm2 5.200 CV 1 OR { 981} (( segid "ATXH" and resid 6 and name HA )) (( segid "ATXH" and resid 5 and name HB3 )) ASSI { 985} (( segid "ATXH" and resid 58 and name HA )) ( segid "ATXH" and resid 54 and name HG1%) 4.800 2.800 1.200 peak 985 spectrum 1 weight 0.10000E+01 volume 0.28961E-03 ppm1 1.161 ppm2 4.358 CV 1 OR { 985} (( segid "ATXH" and resid 58 and name HA )) ( segid "ATXH" and resid 62 and name HG1%) OR { 985} (( segid "ATXH" and resid 34 and name HA )) ( segid "ATXH" and resid 54 and name HG1%) ASSI { 995} (( segid "ATXH" and resid 63 and name HA )) ( segid "ATXH" and resid 23 and name HD1%) 5.000 3.100 1.000 peak 995 spectrum 1 weight 0.10000E+01 volume 0.25993E-03 ppm1 0.146 ppm2 3.528 CV 1 OR { 995} (( segid "ATXH" and resid 24 and name HA )) ( segid "ATXH" and resid 23 and name HD1%) OR { 995} (( segid "ATXH" and resid 20 and name HA )) ( segid "ATXH" and resid 23 and name HD1%) ASSI { 1000} (( segid "ATXH" and resid 45 and name HB )) (( segid "ATXH" and resid 38 and name HA )) 5.100 3.200 0.900 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.22907E-03 ppm1 4.302 ppm2 1.739 CV 1 OR { 1000} (( segid "ATXH" and resid 37 and name HB2 )) (( segid "ATXH" and resid 38 and name HA )) ASSI { 1004} (( segid "ATXH" and resid 4 and name HB3 )) (( segid "ATXH" and resid 50 and name HA )) 5.100 3.300 0.900 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.21483E-03 ppm1 5.034 ppm2 1.799 CV 1 OR { 1004} (( segid "ATXH" and resid 5 and name HB3 )) (( segid "ATXH" and resid 50 and name HA )) ASSI { 1005} (( segid "ATXH" and resid 10 and name HB3 )) (( segid "ATXH" and resid 44 and name HB )) 4.800 2.900 1.200 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.21364E-03 ppm1 3.956 ppm2 1.917 CV 1 OR { 1005} (( segid "ATXH" and resid 42 and name HB3 )) (( segid "ATXH" and resid 44 and name HB )) ASSI { 1007} ( segid "ATXH" and resid 59 and name HD1%) (( segid "ATXH" and resid 30 and name HA )) 4.200 2.200 1.800 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.20770E-03 ppm1 4.179 ppm2 0.725 CV 1 OR { 1007} ( segid "ATXH" and resid 54 and name HG2%) (( segid "ATXH" and resid 30 and name HA )) OR { 1007} ( segid "ATXH" and resid 63 and name HG2%) (( segid "ATXH" and resid 61 and name HA )) OR { 1007} ( segid "ATXH" and resid 59 and name HG2%) (( segid "ATXH" and resid 30 and name HA )) OR { 1007} ( segid "ATXH" and resid 59 and name HG2%) (( segid "ATXH" and resid 61 and name HA )) ASSI { 1008} (( segid "ATXH" and resid 39 and name HG3 )) (( segid "ATXH" and resid 45 and name HA )) 4.900 3.000 1.100 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.20296E-03 ppm1 4.464 ppm2 2.067 CV 1 OR { 1008} (( segid "ATXH" and resid 38 and name HB )) (( segid "ATXH" and resid 45 and name HA )) OR { 1008} (( segid "ATXH" and resid 39 and name HB3 )) (( segid "ATXH" and resid 45 and name HA )) OR { 1008} (( segid "ATXH" and resid 46 and name HG3 )) (( segid "ATXH" and resid 45 and name HA )) ASSI { 1010} ( segid "ATXH" and resid 68 and name HE% ) (( segid "ATXH" and resid 23 and name HG12)) 4.000 2.000 2.000 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.20059E-03 ppm1 1.625 ppm2 6.876 CV 1 OR { 1010} ( segid "ATXH" and resid 68 and name HE% ) (( segid "ATXH" and resid 23 and name HG13)) OR { 1010} (( segid "ATXH" and resid 29 and name HN )) (( segid "ATXH" and resid 23 and name HG12)) ASSI { 1014} (( segid "ATXH" and resid 38 and name HB )) ( segid "ATXH" and resid 23 and name HG2%) 4.600 2.700 1.400 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.18397E-03 ppm1 0.565 ppm2 2.031 CV 1 OR { 1014} (( segid "ATXH" and resid 24 and name HB2 )) ( segid "ATXH" and resid 23 and name HG2%) ASSI { 1022} (( segid "ATXH" and resid 36 and name HB )) ( segid "ATXH" and resid 36 and name HG2%) 4.500 2.500 1.500 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.14717E-03 ppm1 0.872 ppm2 1.896 CV 1 OR { 1022} (( segid "ATXH" and resid 28 and name HB2 )) ( segid "ATXH" and resid 36 and name HG2%) ASSI { 1024} (( segid "ATXH" and resid 49 and name HB )) ( segid "ATXH" and resid 54 and name HG2%) 4.600 2.700 1.400 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.14243E-03 ppm1 0.726 ppm2 1.557 CV 1 OR { 1024} (( segid "ATXH" and resid 59 and name HG12)) ( segid "ATXH" and resid 54 and name HG2%) ASSI { 1029} (( segid "ATXH" and resid 49 and name HB )) (( segid "ATXH" and resid 51 and name HA )) 5.300 3.500 0.700 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.12344E-03 ppm1 4.942 ppm2 1.571 CV 1 OR { 1029} (( segid "ATXH" and resid 37 and name HB3 )) (( segid "ATXH" and resid 36 and name HA )) ASSI { 1030} (( segid "ATXH" and resid 7 and name HB3 )) (( segid "ATXH" and resid 6 and name HA )) 5.700 4.100 0.300 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.11739E-03 ppm1 5.180 ppm2 1.367 CV 1 OR { 1030} ( segid "ATXH" and resid 3 and name HB% ) (( segid "ATXH" and resid 4 and name HA )) ASSI { 1033} (( segid "ATXH" and resid 53 and name HB )) ( segid "ATXH" and resid 54 and name HG2%) 5.800 4.200 0.200 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.10575E-03 ppm1 0.725 ppm2 1.995 CV 1 OR { 1033} (( segid "ATXH" and resid 30 and name HB2 )) ( segid "ATXH" and resid 54 and name HG2%) OR { 1033} (( segid "ATXH" and resid 59 and name HB )) ( segid "ATXH" and resid 54 and name HG2%) ASSI { 1037} (( segid "ATXH" and resid 58 and name HA )) (( segid "ATXH" and resid 57 and name HE2 )) 5.300 3.500 0.700 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.98277E-04 ppm1 2.943 ppm2 4.397 CV 1 OR { 1037} (( segid "ATXH" and resid 58 and name HA )) (( segid "ATXH" and resid 57 and name HE3 )) OR { 1037} (( segid "ATXH" and resid 55 and name HB )) (( segid "ATXH" and resid 57 and name HE2 )) OR { 1037} (( segid "ATXH" and resid 55 and name HB )) (( segid "ATXH" and resid 57 and name HE3 )) ASSI { 1039} (( segid "ATXH" and resid 34 and name HB2 )) (( segid "ATXH" and resid 33 and name HA )) 5.800 4.300 0.200 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.94118E-04 ppm1 4.069 ppm2 1.885 CV 1 OR { 1039} ( segid "ATXH" and resid 4 and name HE% ) (( segid "ATXH" and resid 33 and name HA )) OR { 1039} (( segid "ATXH" and resid 47 and name HB )) (( segid "ATXH" and resid 33 and name HA )) ASSI { 1041} (( segid "ATXH" and resid 31 and name HB2 )) ( segid "ATXH" and resid 53 and name HG1%) 5.500 3.700 0.500 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.84860E-04 ppm1 0.799 ppm2 2.746 CV 1 OR { 1041} (( segid "ATXH" and resid 2 and name HB3 )) ( segid "ATXH" and resid 53 and name HG2%) ASSI { 1042} ( segid "ATXH" and resid 59 and name HD1%) (( segid "ATXH" and resid 27 and name HA )) 5.300 3.500 0.700 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.78810E-04 ppm1 3.705 ppm2 0.671 CV 1 OR { 1042} ( segid "ATXH" and resid 33 and name HG2%) (( segid "ATXH" and resid 27 and name HA )) ASSI { 1046} ( segid "ATXH" and resid 53 and name HG1%) (( segid "ATXH" and resid 2 and name HB2 )) 4.700 2.800 1.300 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.62905E-04 ppm1 2.785 ppm2 0.873 CV 1 OR { 1046} ( segid "ATXH" and resid 53 and name HG1%) (( segid "ATXH" and resid 2 and name HB3 )) OR { 1046} (( segid "ATXH" and resid 49 and name HG12)) (( segid "ATXH" and resid 2 and name HB2 )) OR { 1046} (( segid "ATXH" and resid 49 and name HG12)) (( segid "ATXH" and resid 2 and name HB3 )) OR { 1046} ( segid "ATXH" and resid 33 and name HG1%) (( segid "ATXH" and resid 2 and name HB3 )) ASSI { 1047} (( segid "ATXH" and resid 49 and name HB )) (( segid "ATXH" and resid 51 and name HA )) 5.700 4.000 0.300 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.58158E-04 ppm1 4.898 ppm2 1.545 CV 1 OR { 1047} (( segid "ATXH" and resid 23 and name HG12)) (( segid "ATXH" and resid 36 and name HA ))
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