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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
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27136 |
2p6j ![]() ![]() |
7401 | cing | 1-original | 2 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 1} (( segid "ENHF" and resid 37 and name HA )) (( segid "ENHF" and resid 37 and name HB2 )) 2.500 0.600 0.600 peak 1 spectrum 1 weight 0.11000E+01 volume 0.52705E-02 ppm1 4.642 ppm2 2.917 CV 1 ASSI { 2} (( segid "ENHF" and resid 35 and name HA1 )) (( segid "ENHF" and resid 35 and name HA2 )) 1.700 0.300 0.500 peak 2 spectrum 1 weight 0.11000E+01 volume 0.31562E-01 ppm1 4.066 ppm2 3.709 CV 1 ASSI { 3} (( segid "ENHF" and resid 28 and name HB1 )) (( segid "ENHF" and resid 28 and name HD2 )) 4.000 4.000 2.000 peak 3 spectrum 1 weight 0.11000E+01 volume 0.59172E-03 ppm1 3.423 ppm2 7.166 CV 1 ASSI { 5} (( segid "ENHF" and resid 4 and name HB1 )) (( segid "ENHF" and resid 4 and name HA )) 2.300 0.600 0.600 peak 5 spectrum 1 weight 0.11000E+01 volume 0.52432E-02 ppm1 3.376 ppm2 4.771 CV 1 ASSI { 6} (( segid "ENHF" and resid 4 and name HB1 )) ( segid "ENHF" and resid 36 and name HD2%) 3.000 0.900 0.900 peak 6 spectrum 1 weight 0.10000E+01 volume 0.11476E-02 ppm1 3.379 ppm2 0.630 CV 1 ASSI { 10} (( segid "ENHF" and resid 42 and name HD1 )) (( segid "ENHF" and resid 42 and name HB2 )) 2.500 0.600 0.600 peak 10 spectrum 1 weight 0.11000E+01 volume 0.65471E-02 ppm1 3.246 ppm2 1.998 CV 1 ASSI { 12} (( segid "ENHF" and resid 45 and name HB2 )) ( segid "ENHF" and resid 45 and name HD% ) 3.000 0.900 0.900 peak 12 spectrum 1 weight 0.11000E+01 volume 0.17369E-02 ppm1 3.228 ppm2 7.363 CV 1 ASSI { 13} (( segid "ENHF" and resid 45 and name HB2 )) (( segid "ENHF" and resid 45 and name HA )) 3.200 1.000 1.000 peak 13 spectrum 1 weight 0.10000E+01 volume 0.16470E-02 ppm1 3.224 ppm2 4.189 CV 1 ASSI { 14} (( segid "ENHF" and resid 42 and name HD2 )) (( segid "ENHF" and resid 42 and name HG1 )) 2.300 0.600 0.600 peak 14 spectrum 1 weight 0.10000E+01 volume 0.68854E-02 ppm1 3.245 ppm2 1.794 CV 1 OR { 14} (( segid "ENHF" and resid 42 and name HD1 )) (( segid "ENHF" and resid 42 and name HG1 )) ASSI { 15} (( segid "ENHF" and resid 21 and name HD2 )) (( segid "ENHF" and resid 21 and name HB1 )) 2.800 0.800 0.800 peak 15 spectrum 1 weight 0.10000E+01 volume 0.28746E-02 ppm1 3.181 ppm2 1.894 CV 1 OR { 15} (( segid "ENHF" and resid 21 and name HD1 )) (( segid "ENHF" and resid 21 and name HB1 )) ASSI { 16} (( segid "ENHF" and resid 21 and name HD2 )) (( segid "ENHF" and resid 21 and name HB2 )) 2.800 0.800 0.800 peak 16 spectrum 1 weight 0.11000E+01 volume 0.39508E-02 ppm1 3.183 ppm2 1.738 CV 1 ASSI { 17} (( segid "ENHF" and resid 21 and name HD2 )) (( segid "ENHF" and resid 21 and name HG1 )) 2.200 0.500 0.500 peak 17 spectrum 1 weight 0.11000E+01 volume 0.98898E-02 ppm1 3.183 ppm2 1.562 CV 1 ASSI { 18} (( segid "ENHF" and resid 37 and name HB1 )) (( segid "ENHF" and resid 37 and name HA )) 2.500 0.600 0.600 peak 18 spectrum 1 weight 0.11000E+01 volume 0.42483E-02 ppm1 3.188 ppm2 4.644 CV 1 ASSI { 21} (( segid "ENHF" and resid 4 and name HB2 )) (( segid "ENHF" and resid 4 and name HA )) 2.700 0.700 0.700 peak 21 spectrum 1 weight 0.11000E+01 volume 0.33531E-02 ppm1 3.134 ppm2 4.767 CV 1 ASSI { 22} (( segid "ENHF" and resid 4 and name HB2 )) (( segid "ENHF" and resid 4 and name HB1 )) 1.700 0.300 0.500 peak 22 spectrum 1 weight 0.11000E+01 volume 0.24960E-01 ppm1 3.136 ppm2 3.374 CV 1 ASSI { 24} (( segid "ENHF" and resid 4 and name HB2 )) ( segid "ENHF" and resid 36 and name HD2%) 3.600 3.600 2.400 peak 24 spectrum 1 weight 0.10000E+01 volume 0.52408E-03 ppm1 3.129 ppm2 0.637 CV 1 ASSI { 25} (( segid "ENHF" and resid 33 and name HD1 )) (( segid "ENHF" and resid 33 and name HA )) 4.000 1.600 1.600 peak 25 spectrum 1 weight 0.10000E+01 volume 0.35937E-03 ppm1 3.113 ppm2 3.996 CV 1 OR { 25} (( segid "ENHF" and resid 33 and name HD2 )) (( segid "ENHF" and resid 33 and name HA )) ASSI { 26} (( segid "ENHF" and resid 51 and name HD1 )) (( segid "ENHF" and resid 51 and name HG2 )) 2.200 0.500 0.500 peak 26 spectrum 1 weight 0.11000E+01 volume 0.82194E-02 ppm1 3.104 ppm2 1.593 CV 1 ASSI { 27} (( segid "ENHF" and resid 15 and name HB1 )) ( segid "ENHF" and resid 15 and name HD% ) 5.200 2.700 0.800 peak 27 spectrum 1 weight 0.11000E+01 volume 0.43114E-04 ppm1 3.104 ppm2 6.639 CV 1 ASSI { 29} (( segid "ENHF" and resid 51 and name HD1 )) (( segid "ENHF" and resid 51 and name HB1 )) 2.300 0.500 0.500 peak 29 spectrum 1 weight 0.11000E+01 volume 0.54822E-02 ppm1 3.108 ppm2 1.823 CV 1 ASSI { 30} (( segid "ENHF" and resid 51 and name HD1 )) (( segid "ENHF" and resid 51 and name HA )) 4.000 1.600 1.600 peak 30 spectrum 1 weight 0.10000E+01 volume 0.64779E-03 ppm1 3.103 ppm2 4.271 CV 1 OR { 30} (( segid "ENHF" and resid 51 and name HD2 )) (( segid "ENHF" and resid 51 and name HA )) ASSI { 33} (( segid "ENHF" and resid 51 and name HD2 )) (( segid "ENHF" and resid 51 and name HB2 )) 2.300 0.600 0.600 peak 33 spectrum 1 weight 0.11000E+01 volume 0.51210E-02 ppm1 3.106 ppm2 1.723 CV 1 ASSI { 34} (( segid "ENHF" and resid 15 and name HB2 )) ( segid "ENHF" and resid 15 and name HD% ) 2.800 0.800 0.800 peak 34 spectrum 1 weight 0.11000E+01 volume 0.28428E-02 ppm1 3.065 ppm2 6.640 CV 1 ASSI { 35} (( segid "ENHF" and resid 15 and name HB1 )) (( segid "ENHF" and resid 15 and name HA )) 3.300 1.100 1.100 peak 35 spectrum 1 weight 0.11000E+01 volume 0.11822E-02 ppm1 3.066 ppm2 4.115 CV 1 ASSI { 36} (( segid "ENHF" and resid 18 and name HD1 )) (( segid "ENHF" and resid 18 and name HA )) 4.000 1.600 1.600 peak 36 spectrum 1 weight 0.10000E+01 volume 0.63842E-03 ppm1 3.053 ppm2 4.122 CV 1 OR { 36} (( segid "ENHF" and resid 18 and name HD2 )) (( segid "ENHF" and resid 18 and name HA )) ASSI { 37} (( segid "ENHF" and resid 18 and name HD2 )) (( segid "ENHF" and resid 18 and name HG1 )) 2.400 0.600 0.600 peak 37 spectrum 1 weight 0.11000E+01 volume 0.44293E-02 ppm1 3.054 ppm2 1.618 CV 1 ASSI { 38} (( segid "ENHF" and resid 18 and name HD1 )) (( segid "ENHF" and resid 18 and name HG2 )) 2.600 0.700 0.700 peak 38 spectrum 1 weight 0.11000E+01 volume 0.44296E-02 ppm1 3.053 ppm2 1.520 CV 1 ASSI { 39} (( segid "ENHF" and resid 18 and name HD2 )) (( segid "ENHF" and resid 17 and name HG2 )) 4.800 2.400 1.200 peak 39 spectrum 1 weight 0.10000E+01 volume 0.60026E-04 ppm1 3.058 ppm2 1.413 CV 1 OR { 39} (( segid "ENHF" and resid 18 and name HD1 )) (( segid "ENHF" and resid 17 and name HG2 )) ASSI { 40} (( segid "ENHF" and resid 44 and name HB1 )) (( segid "ENHF" and resid 44 and name HB2 )) 1.800 0.300 0.400 peak 40 spectrum 1 weight 0.11000E+01 volume 0.16722E-01 ppm1 2.986 ppm2 2.844 CV 1 ASSI { 41} (( segid "ENHF" and resid 44 and name HB1 )) ( segid "ENHF" and resid 44 and name HD% ) 2.600 0.700 0.700 peak 41 spectrum 1 weight 0.11000E+01 volume 0.27207E-02 ppm1 2.984 ppm2 6.555 CV 1 ASSI { 43} (( segid "ENHF" and resid 19 and name HB1 )) (( segid "ENHF" and resid 19 and name HB2 )) 1.700 0.300 0.500 peak 43 spectrum 1 weight 0.11000E+01 volume 0.26126E-01 ppm1 2.967 ppm2 2.528 CV 1 ASSI { 51} (( segid "ENHF" and resid 37 and name HB2 )) (( segid "ENHF" and resid 37 and name HB1 )) 1.900 0.300 0.300 peak 51 spectrum 1 weight 0.11000E+01 volume 0.16754E-01 ppm1 2.919 ppm2 3.190 CV 1 ASSI { 63} (( segid "ENHF" and resid 11 and name HE2 )) (( segid "ENHF" and resid 7 and name HB2 )) 2.700 2.700 3.300 peak 63 spectrum 1 weight 0.10000E+01 volume 0.20783E-02 ppm1 2.908 ppm2 2.766 CV 1 OR { 63} (( segid "ENHF" and resid 11 and name HE1 )) (( segid "ENHF" and resid 7 and name HB2 )) OR { 63} (( segid "ENHF" and resid 11 and name HE2 )) (( segid "ENHF" and resid 7 and name HB1 )) OR { 63} (( segid "ENHF" and resid 11 and name HE1 )) (( segid "ENHF" and resid 7 and name HB1 )) ASSI { 65} (( segid "ENHF" and resid 48 and name HB1 )) (( segid "ENHF" and resid 48 and name HB2 )) 1.700 0.300 0.500 peak 65 spectrum 1 weight 0.11000E+01 volume 0.24807E-01 ppm1 2.894 ppm2 2.587 CV 1 ASSI { 68} (( segid "ENHF" and resid 13 and name HE1 )) (( segid "ENHF" and resid 14 and name HG2 )) 2.800 0.800 0.800 peak 68 spectrum 1 weight 0.10000E+01 volume 0.23343E-02 ppm1 2.897 ppm2 2.300 CV 1 OR { 68} (( segid "ENHF" and resid 13 and name HE2 )) (( segid "ENHF" and resid 14 and name HG2 )) OR { 68} (( segid "ENHF" and resid 13 and name HE2 )) (( segid "ENHF" and resid 14 and name HG1 )) OR { 68} (( segid "ENHF" and resid 13 and name HE1 )) (( segid "ENHF" and resid 14 and name HG1 )) ASSI { 71} (( segid "ENHF" and resid 2 and name HE2 )) (( segid "ENHF" and resid 1 and name HG1 )) 2.900 2.900 3.100 peak 71 spectrum 1 weight 0.10000E+01 volume 0.12197E-02 ppm1 2.888 ppm2 2.549 CV 1 OR { 71} (( segid "ENHF" and resid 2 and name HE2 )) (( segid "ENHF" and resid 1 and name HG2 )) ASSI { 74} (( segid "ENHF" and resid 2 and name HE2 )) (( segid "ENHF" and resid 2 and name HD2 )) 2.600 0.700 0.700 peak 74 spectrum 1 weight 0.11000E+01 volume 0.39434E-02 ppm1 2.875 ppm2 1.554 CV 1 ASSI { 75} (( segid "ENHF" and resid 2 and name HE2 )) (( segid "ENHF" and resid 2 and name HG1 )) 3.000 0.900 0.900 peak 75 spectrum 1 weight 0.10000E+01 volume 0.18914E-02 ppm1 2.875 ppm2 1.216 CV 1 OR { 75} (( segid "ENHF" and resid 2 and name HE2 )) (( segid "ENHF" and resid 2 and name HG2 )) OR { 75} (( segid "ENHF" and resid 2 and name HE1 )) (( segid "ENHF" and resid 2 and name HG1 )) ASSI { 76} (( segid "ENHF" and resid 7 and name HB1 )) (( segid "ENHF" and resid 7 and name HA )) 2.600 0.700 0.700 peak 76 spectrum 1 weight 0.11000E+01 volume 0.39042E-02 ppm1 2.809 ppm2 4.497 CV 1 ASSI { 77} (( segid "ENHF" and resid 7 and name HB1 )) (( segid "ENHF" and resid 7 and name HB2 )) 1.600 0.200 0.600 peak 77 spectrum 1 weight 0.11000E+01 volume 0.51955E-01 ppm1 2.813 ppm2 2.734 CV 1 ASSI { 79} (( segid "ENHF" and resid 7 and name HB2 )) (( segid "ENHF" and resid 7 and name HA )) 2.600 0.700 0.700 peak 79 spectrum 1 weight 0.11000E+01 volume 0.35756E-02 ppm1 2.742 ppm2 4.495 CV 1 ASSI { 83} (( segid "ENHF" and resid 30 and name HB1 )) ( segid "ENHF" and resid 30 and name HD% ) 3.200 1.000 1.000 peak 83 spectrum 1 weight 0.11000E+01 volume 0.88829E-03 ppm1 2.736 ppm2 6.440 CV 1 ASSI { 86} (( segid "ENHF" and resid 48 and name HB2 )) ( segid "ENHF" and resid 48 and name HD% ) 3.000 0.900 0.900 peak 86 spectrum 1 weight 0.11000E+01 volume 0.16868E-02 ppm1 2.584 ppm2 7.019 CV 1 ASSI { 88} (( segid "ENHF" and resid 48 and name HB2 )) (( segid "ENHF" and resid 50 and name HG1 )) 4.000 4.000 2.000 peak 88 spectrum 1 weight 0.10000E+01 volume 0.45885E-03 ppm1 2.576 ppm2 2.417 CV 1 ASSI { 89} (( segid "ENHF" and resid 43 and name HG1 )) (( segid "ENHF" and resid 47 and name HB1 )) 4.300 1.800 1.700 peak 89 spectrum 1 weight 0.10000E+01 volume 0.22682E-03 ppm1 2.580 ppm2 1.981 CV 1 ASSI { 91} (( segid "ENHF" and resid 29 and name HG1 )) (( segid "ENHF" and resid 29 and name HB2 )) 2.700 0.700 0.700 peak 91 spectrum 1 weight 0.10000E+01 volume 0.33158E-02 ppm1 2.569 ppm2 2.105 CV 1 ASSI { 96} (( segid "ENHF" and resid 46 and name HG1 )) (( segid "ENHF" and resid 46 and name HA )) 2.900 0.800 0.800 peak 96 spectrum 1 weight 0.10000E+01 volume 0.24695E-02 ppm1 2.535 ppm2 4.071 CV 1 ASSI { 98} (( segid "ENHF" and resid 46 and name HG1 )) (( segid "ENHF" and resid 46 and name HB1 )) 2.700 0.700 0.700 peak 98 spectrum 1 weight 0.10000E+01 volume 0.44869E-02 ppm1 2.536 ppm2 2.204 CV 1 ASSI { 99} (( segid "ENHF" and resid 46 and name HG1 )) (( segid "ENHF" and resid 46 and name HB2 )) 2.400 0.600 0.600 peak 99 spectrum 1 weight 0.10000E+01 volume 0.47814E-02 ppm1 2.537 ppm2 2.133 CV 1 ASSI { 100} (( segid "ENHF" and resid 1 and name HG1 )) (( segid "ENHF" and resid 1 and name HB2 )) 2.300 0.500 0.500 peak 100 spectrum 1 weight 0.10000E+01 volume 0.88783E-02 ppm1 2.517 ppm2 2.089 CV 1 OR { 100} (( segid "ENHF" and resid 1 and name HG2 )) (( segid "ENHF" and resid 1 and name HB1 )) OR { 100} (( segid "ENHF" and resid 1 and name HG1 )) (( segid "ENHF" and resid 1 and name HB1 )) OR { 100} (( segid "ENHF" and resid 1 and name HG2 )) (( segid "ENHF" and resid 1 and name HB2 )) OR { 100} (( segid "ENHF" and resid 1 and name HG1 )) ( segid "ENHF" and resid 1 and name HE% ) ASSI { 103} (( segid "ENHF" and resid 30 and name HB2 )) (( segid "ENHF" and resid 30 and name HB1 )) 1.800 0.300 0.400 peak 103 spectrum 1 weight 0.11000E+01 volume 0.22872E-01 ppm1 2.437 ppm2 2.738 CV 1 ASSI { 109} (( segid "ENHF" and resid 46 and name HG2 )) (( segid "ENHF" and resid 46 and name HG1 )) 1.800 0.300 0.400 peak 109 spectrum 1 weight 0.11000E+01 volume 0.23580E-01 ppm1 2.356 ppm2 2.531 CV 1 ASSI { 115} (( segid "ENHF" and resid 47 and name HG1 )) (( segid "ENHF" and resid 47 and name HB2 )) 2.400 0.600 0.600 peak 115 spectrum 1 weight 0.10000E+01 volume 0.47300E-02 ppm1 2.345 ppm2 1.878 CV 1 ASSI { 120} (( segid "ENHF" and resid 32 and name HG1 )) (( segid "ENHF" and resid 32 and name HG2 )) 1.700 0.300 0.500 peak 120 spectrum 1 weight 0.10000E+01 volume 0.37318E-01 ppm1 2.340 ppm2 2.206 CV 1 ASSI { 123} (( segid "ENHF" and resid 26 and name HG2 )) (( segid "ENHF" and resid 26 and name HB2 )) 2.100 0.400 0.400 peak 123 spectrum 1 weight 0.10000E+01 volume 0.14384E-01 ppm1 2.332 ppm2 1.935 CV 1 OR { 123} (( segid "ENHF" and resid 26 and name HG1 )) (( segid "ENHF" and resid 26 and name HB2 )) ASSI { 125} (( segid "ENHF" and resid 26 and name HG2 )) (( segid "ENHF" and resid 26 and name HA )) 2.700 0.700 0.700 peak 125 spectrum 1 weight 0.10000E+01 volume 0.37495E-02 ppm1 2.323 ppm2 4.033 CV 1 OR { 125} (( segid "ENHF" and resid 26 and name HG1 )) (( segid "ENHF" and resid 26 and name HA )) ASSI { 127} (( segid "ENHF" and resid 26 and name HB1 )) (( segid "ENHF" and resid 22 and name HG11)) 4.400 1.900 1.600 peak 127 spectrum 1 weight 0.11000E+01 volume 0.19577E-03 ppm1 2.319 ppm2 1.523 CV 1 ASSI { 128} (( segid "ENHF" and resid 26 and name HB1 )) (( segid "ENHF" and resid 26 and name HA )) 2.800 0.800 0.800 peak 128 spectrum 1 weight 0.10000E+01 volume 0.27122E-02 ppm1 2.315 ppm2 4.031 CV 1 ASSI { 129} (( segid "ENHF" and resid 26 and name HB1 )) (( segid "ENHF" and resid 26 and name HB2 )) 1.700 0.300 0.500 peak 129 spectrum 1 weight 0.11000E+01 volume 0.27984E-01 ppm1 2.314 ppm2 1.933 CV 1 ASSI { 135} (( segid "ENHF" and resid 49 and name HG2 )) (( segid "ENHF" and resid 49 and name HA )) 3.900 1.500 1.500 peak 135 spectrum 1 weight 0.10000E+01 volume 0.60543E-03 ppm1 2.267 ppm2 4.092 CV 1 OR { 135} (( segid "ENHF" and resid 49 and name HG1 )) (( segid "ENHF" and resid 49 and name HA )) ASSI { 137} (( segid "ENHF" and resid 43 and name HB2 )) (( segid "ENHF" and resid 43 and name HA )) 2.700 0.700 0.700 peak 137 spectrum 1 weight 0.10000E+01 volume 0.33729E-02 ppm1 2.272 ppm2 4.079 CV 1 OR { 137} (( segid "ENHF" and resid 43 and name HB1 )) (( segid "ENHF" and resid 43 and name HA )) ASSI { 138} (( segid "ENHF" and resid 9 and name HB2 )) (( segid "ENHF" and resid 9 and name HA )) 3.100 1.000 1.000 peak 138 spectrum 1 weight 0.11000E+01 volume 0.10829E-02 ppm1 2.261 ppm2 3.636 CV 1 ASSI { 139} (( segid "ENHF" and resid 9 and name HB2 )) (( segid "ENHF" and resid 4 and name HD1 )) 3.800 1.400 1.400 peak 139 spectrum 1 weight 0.11000E+01 volume 0.37932E-03 ppm1 2.254 ppm2 7.279 CV 1 ASSI { 140} (( segid "ENHF" and resid 9 and name HB1 )) (( segid "ENHF" and resid 6 and name HA )) 3.100 0.900 0.900 peak 140 spectrum 1 weight 0.10000E+01 volume 0.13978E-02 ppm1 2.252 ppm2 4.183 CV 1 OR { 140} (( segid "ENHF" and resid 9 and name HB2 )) (( segid "ENHF" and resid 6 and name HA )) ASSI { 142} (( segid "ENHF" and resid 24 and name HG2 )) (( segid "ENHF" and resid 24 and name HB1 )) 1.800 1.800 4.200 peak 142 spectrum 1 weight 0.11000E+01 volume 0.29354E-01 ppm1 2.228 ppm2 1.984 CV 1 ASSI { 143} (( segid "ENHF" and resid 24 and name HG1 )) (( segid "ENHF" and resid 27 and name HB1 )) 2.900 0.800 0.800 peak 143 spectrum 1 weight 0.10000E+01 volume 0.25264E-02 ppm1 2.229 ppm2 1.868 CV 1 OR { 143} (( segid "ENHF" and resid 24 and name HG2 )) (( segid "ENHF" and resid 27 and name HB1 )) ASSI { 144} (( segid "ENHF" and resid 3 and name HG2 )) (( segid "ENHF" and resid 3 and name HB2 )) 2.800 0.800 0.800 peak 144 spectrum 1 weight 0.11000E+01 volume 0.28934E-02 ppm1 2.225 ppm2 1.760 CV 1 ASSI { 153} (( segid "ENHF" and resid 16 and name HB )) ( segid "ENHF" and resid 16 and name HG1%) 2.500 0.600 0.600 peak 153 spectrum 1 weight 0.11000E+01 volume 0.42537E-02 ppm1 2.152 ppm2 0.923 CV 1 ASSI { 154} (( segid "ENHF" and resid 8 and name HB )) (( segid "ENHF" and resid 8 and name HA )) 2.800 0.800 0.800 peak 154 spectrum 1 weight 0.11000E+01 volume 0.26688E-02 ppm1 2.105 ppm2 3.516 CV 1 ASSI { 156} (( segid "ENHF" and resid 8 and name HB )) (( segid "ENHF" and resid 4 and name HB2 )) 3.300 1.100 1.100 peak 156 spectrum 1 weight 0.11000E+01 volume 0.73473E-03 ppm1 2.099 ppm2 3.133 CV 1 ASSI { 160} (( segid "ENHF" and resid 25 and name HB1 )) (( segid "ENHF" and resid 25 and name HB2 )) 1.900 0.400 0.400 peak 160 spectrum 1 weight 0.10000E+01 volume 0.13534E-01 ppm1 2.075 ppm2 1.922 CV 1 ASSI { 162} (( segid "ENHF" and resid 39 and name HB1 )) ( segid "ENHF" and resid 40 and name HB% ) 5.700 3.300 0.300 peak 162 spectrum 1 weight 0.10000E+01 volume 0.75496E-04 ppm1 2.071 ppm2 1.570 CV 1 ASSI { 164} (( segid "ENHF" and resid 1 and name HB1 )) (( segid "ENHF" and resid 1 and name HA )) 3.700 1.300 1.300 peak 164 spectrum 1 weight 0.10000E+01 volume 0.50279E-03 ppm1 2.092 ppm2 4.082 CV 1 OR { 164} (( segid "ENHF" and resid 1 and name HB2 )) (( segid "ENHF" and resid 1 and name HA )) ASSI { 165} (( segid "ENHF" and resid 46 and name HB1 )) (( segid "ENHF" and resid 42 and name HG1 )) 3.000 0.900 0.900 peak 165 spectrum 1 weight 0.10000E+01 volume 0.29105E-02 ppm1 2.207 ppm2 1.751 CV 1 ASSI { 167} (( segid "ENHF" and resid 47 and name HG2 )) (( segid "ENHF" and resid 47 and name HG1 )) 1.800 0.300 0.400 peak 167 spectrum 1 weight 0.11000E+01 volume 0.22073E-01 ppm1 2.074 ppm2 2.342 CV 1 ASSI { 168} (( segid "ENHF" and resid 47 and name HG2 )) (( segid "ENHF" and resid 47 and name HB2 )) 2.600 0.700 0.700 peak 168 spectrum 1 weight 0.10000E+01 volume 0.68038E-02 ppm1 2.076 ppm2 1.888 CV 1 ASSI { 169} (( segid "ENHF" and resid 38 and name HB1 )) (( segid "ENHF" and resid 38 and name HA )) 2.300 0.500 0.500 peak 169 spectrum 1 weight 0.10000E+01 volume 0.73816E-02 ppm1 2.044 ppm2 3.831 CV 1 OR { 169} (( segid "ENHF" and resid 38 and name HB2 )) (( segid "ENHF" and resid 38 and name HA )) ASSI { 170} (( segid "ENHF" and resid 3 and name HB1 )) (( segid "ENHF" and resid 3 and name HB2 )) 1.700 0.300 0.500 peak 170 spectrum 1 weight 0.11000E+01 volume 0.29900E-01 ppm1 2.083 ppm2 1.755 CV 1 ASSI { 180} (( segid "ENHF" and resid 32 and name HB2 )) (( segid "ENHF" and resid 32 and name HG2 )) 2.000 0.400 0.400 peak 180 spectrum 1 weight 0.10000E+01 volume 0.16445E-01 ppm1 2.003 ppm2 2.199 CV 1 OR { 180} (( segid "ENHF" and resid 32 and name HB1 )) (( segid "ENHF" and resid 32 and name HG2 )) ASSI { 181} (( segid "ENHF" and resid 39 and name HB2 )) ( segid "ENHF" and resid 40 and name HB% ) 5.300 2.900 0.700 peak 181 spectrum 1 weight 0.10000E+01 volume 0.17723E-03 ppm1 2.000 ppm2 1.600 CV 1 ASSI { 182} (( segid "ENHF" and resid 42 and name HB1 )) (( segid "ENHF" and resid 42 and name HG2 )) 2.300 0.500 0.500 peak 182 spectrum 1 weight 0.10000E+01 volume 0.85411E-02 ppm1 1.995 ppm2 1.614 CV 1 OR { 182} (( segid "ENHF" and resid 42 and name HB2 )) (( segid "ENHF" and resid 42 and name HG2 )) ASSI { 183} (( segid "ENHF" and resid 42 and name HB2 )) (( segid "ENHF" and resid 42 and name HD2 )) 2.500 0.600 0.600 peak 183 spectrum 1 weight 0.10000E+01 volume 0.49157E-02 ppm1 1.992 ppm2 3.245 CV 1 OR { 183} (( segid "ENHF" and resid 42 and name HB1 )) (( segid "ENHF" and resid 42 and name HD1 )) OR { 183} (( segid "ENHF" and resid 42 and name HB1 )) (( segid "ENHF" and resid 42 and name HD2 )) OR { 183} (( segid "ENHF" and resid 42 and name HB2 )) (( segid "ENHF" and resid 42 and name HD1 )) ASSI { 186} (( segid "ENHF" and resid 42 and name HB2 )) (( segid "ENHF" and resid 42 and name HG1 )) 1.800 0.300 0.400 peak 186 spectrum 1 weight 0.10000E+01 volume 0.29756E-01 ppm1 1.993 ppm2 1.808 CV 1 OR { 186} (( segid "ENHF" and resid 42 and name HB1 )) (( segid "ENHF" and resid 42 and name HG1 )) ASSI { 187} (( segid "ENHF" and resid 24 and name HB2 )) (( segid "ENHF" and resid 27 and name HB2 )) 4.800 2.300 1.200 peak 187 spectrum 1 weight 0.10000E+01 volume 0.24056E-03 ppm1 1.999 ppm2 1.609 CV 1 OR { 187} (( segid "ENHF" and resid 24 and name HB1 )) (( segid "ENHF" and resid 27 and name HB2 )) OR { 187} (( segid "ENHF" and resid 24 and name HB2 )) (( segid "ENHF" and resid 27 and name HG )) ASSI { 188} (( segid "ENHF" and resid 24 and name HB2 )) (( segid "ENHF" and resid 24 and name HA )) 2.300 0.500 0.500 peak 188 spectrum 1 weight 0.11000E+01 volume 0.65803E-02 ppm1 1.974 ppm2 3.837 CV 1 ASSI { 189} (( segid "ENHF" and resid 24 and name HB1 )) (( segid "ENHF" and resid 24 and name HG2 )) 1.700 0.300 0.500 peak 189 spectrum 1 weight 0.10000E+01 volume 0.43219E-01 ppm1 1.976 ppm2 2.226 CV 1 OR { 189} (( segid "ENHF" and resid 24 and name HB2 )) (( segid "ENHF" and resid 24 and name HG1 )) OR { 189} (( segid "ENHF" and resid 24 and name HB2 )) (( segid "ENHF" and resid 24 and name HG2 )) OR { 189} (( segid "ENHF" and resid 24 and name HB1 )) (( segid "ENHF" and resid 24 and name HG1 )) ASSI { 190} (( segid "ENHF" and resid 13 and name HB1 )) (( segid "ENHF" and resid 13 and name HA )) 2.900 0.800 0.800 peak 190 spectrum 1 weight 0.11000E+01 volume 0.31534E-02 ppm1 1.961 ppm2 3.875 CV 1 ASSI { 191} (( segid "ENHF" and resid 13 and name HB1 )) (( segid "ENHF" and resid 13 and name HG1 )) 2.300 0.500 0.500 peak 191 spectrum 1 weight 0.10000E+01 volume 0.93434E-02 ppm1 1.963 ppm2 1.730 CV 1 OR { 191} (( segid "ENHF" and resid 13 and name HB1 )) (( segid "ENHF" and resid 13 and name HD1 )) ASSI { 192} (( segid "ENHF" and resid 11 and name HB2 )) (( segid "ENHF" and resid 11 and name HA )) 2.400 0.600 0.600 peak 192 spectrum 1 weight 0.10000E+01 volume 0.68051E-02 ppm1 1.935 ppm2 4.076 CV 1 OR { 192} (( segid "ENHF" and resid 11 and name HB1 )) (( segid "ENHF" and resid 11 and name HA )) ASSI { 194} (( segid "ENHF" and resid 11 and name HB1 )) (( segid "ENHF" and resid 8 and name HA )) 2.700 0.700 0.700 peak 194 spectrum 1 weight 0.10000E+01 volume 0.31746E-02 ppm1 1.929 ppm2 3.513 CV 1 OR { 194} (( segid "ENHF" and resid 11 and name HB2 )) (( segid "ENHF" and resid 8 and name HA )) ASSI { 195} (( segid "ENHF" and resid 11 and name HB2 )) (( segid "ENHF" and resid 11 and name HG2 )) 2.500 0.600 0.600 peak 195 spectrum 1 weight 0.10000E+01 volume 0.43353E-02 ppm1 1.931 ppm2 1.498 CV 1 OR { 195} (( segid "ENHF" and resid 11 and name HB1 )) (( segid "ENHF" and resid 11 and name HG2 )) ASSI { 196} (( segid "ENHF" and resid 26 and name HB2 )) (( segid "ENHF" and resid 26 and name HA )) 2.900 0.800 0.800 peak 196 spectrum 1 weight 0.10000E+01 volume 0.24158E-02 ppm1 1.930 ppm2 4.033 CV 1 ASSI { 197} (( segid "ENHF" and resid 26 and name HB2 )) (( segid "ENHF" and resid 26 and name HB1 )) 1.600 0.300 0.600 peak 197 spectrum 1 weight 0.10000E+01 volume 0.46781E-01 ppm1 1.934 ppm2 2.316 CV 1 OR { 197} (( segid "ENHF" and resid 26 and name HB2 )) (( segid "ENHF" and resid 26 and name HG1 )) ASSI { 200} (( segid "ENHF" and resid 21 and name HB1 )) (( segid "ENHF" and resid 21 and name HG2 )) 2.100 0.500 0.500 peak 200 spectrum 1 weight 0.10000E+01 volume 0.11812E-01 ppm1 1.891 ppm2 1.554 CV 1 OR { 200} (( segid "ENHF" and resid 21 and name HB1 )) (( segid "ENHF" and resid 21 and name HG1 )) ASSI { 201} (( segid "ENHF" and resid 17 and name HB1 )) (( segid "ENHF" and resid 17 and name HA )) 2.100 0.500 0.500 peak 201 spectrum 1 weight 0.10000E+01 volume 0.12564E-01 ppm1 1.900 ppm2 4.014 CV 1 OR { 201} (( segid "ENHF" and resid 17 and name HB2 )) (( segid "ENHF" and resid 17 and name HA )) ASSI { 203} (( segid "ENHF" and resid 13 and name HB2 )) (( segid "ENHF" and resid 13 and name HG1 )) 2.300 0.500 0.500 peak 203 spectrum 1 weight 0.10000E+01 volume 0.70515E-02 ppm1 1.870 ppm2 1.722 CV 1 OR { 203} (( segid "ENHF" and resid 13 and name HB2 )) (( segid "ENHF" and resid 13 and name HD1 )) ASSI { 204} (( segid "ENHF" and resid 11 and name HB1 )) ( segid "ENHF" and resid 34 and name HD1%) 4.100 1.700 1.700 peak 204 spectrum 1 weight 0.10000E+01 volume 0.23277E-03 ppm1 1.930 ppm2 0.398 CV 1 OR { 204} (( segid "ENHF" and resid 11 and name HB2 )) ( segid "ENHF" and resid 34 and name HD1%) ASSI { 206} (( segid "ENHF" and resid 25 and name HB2 )) (( segid "ENHF" and resid 25 and name HG2 )) 2.300 2.300 3.700 peak 206 spectrum 1 weight 0.10000E+01 volume 0.89666E-02 ppm1 1.926 ppm2 2.242 CV 1 ASSI { 207} (( segid "ENHF" and resid 25 and name HB2 )) (( segid "ENHF" and resid 25 and name HA )) 2.400 0.600 0.600 peak 207 spectrum 1 weight 0.11000E+01 volume 0.50648E-02 ppm1 1.902 ppm2 4.081 CV 1 ASSI { 208} (( segid "ENHF" and resid 25 and name HB2 )) (( segid "ENHF" and resid 25 and name HG1 )) 2.400 0.600 0.600 peak 208 spectrum 1 weight 0.10000E+01 volume 0.58862E-02 ppm1 1.901 ppm2 2.368 CV 1 ASSI { 210} (( segid "ENHF" and resid 22 and name HB )) (( segid "ENHF" and resid 22 and name HG11)) 2.600 0.700 0.700 peak 210 spectrum 1 weight 0.10000E+01 volume 0.27761E-02 ppm1 1.880 ppm2 1.527 CV 1 ASSI { 211} (( segid "ENHF" and resid 22 and name HB )) ( segid "ENHF" and resid 22 and name HG2%) 2.500 0.600 0.600 peak 211 spectrum 1 weight 0.10000E+01 volume 0.41320E-02 ppm1 1.881 ppm2 0.845 CV 1 ASSI { 212} (( segid "ENHF" and resid 22 and name HB )) (( segid "ENHF" and resid 27 and name HB2 )) 4.000 1.600 1.600 peak 212 spectrum 1 weight 0.10000E+01 volume 0.65091E-03 ppm1 1.878 ppm2 1.667 CV 1 ASSI { 213} (( segid "ENHF" and resid 22 and name HB )) (( segid "ENHF" and resid 22 and name HG12)) 4.200 1.800 1.800 peak 213 spectrum 1 weight 0.11000E+01 volume 0.31084E-03 ppm1 1.876 ppm2 1.242 CV 1 ASSI { 214} (( segid "ENHF" and resid 22 and name HB )) ( segid "ENHF" and resid 22 and name HD1%) 2.900 0.800 0.800 peak 214 spectrum 1 weight 0.10000E+01 volume 0.20054E-02 ppm1 1.878 ppm2 0.695 CV 1 ASSI { 216} (( segid "ENHF" and resid 27 and name HB1 )) (( segid "ENHF" and resid 27 and name HA )) 3.700 1.400 1.400 peak 216 spectrum 1 weight 0.10000E+01 volume 0.57114E-03 ppm1 1.865 ppm2 4.020 CV 1 ASSI { 218} (( segid "ENHF" and resid 27 and name HB1 )) ( segid "ENHF" and resid 27 and name HD1%) 2.600 0.700 0.700 peak 218 spectrum 1 weight 0.10000E+01 volume 0.40442E-02 ppm1 1.865 ppm2 0.807 CV 1 ASSI { 219} (( segid "ENHF" and resid 33 and name HB1 )) (( segid "ENHF" and resid 33 and name HD1 )) 3.500 1.200 1.200 peak 219 spectrum 1 weight 0.11000E+01 volume 0.11525E-02 ppm1 1.832 ppm2 3.110 CV 1 ASSI { 222} (( segid "ENHF" and resid 51 and name HB1 )) (( segid "ENHF" and resid 51 and name HB2 )) 1.600 0.300 0.600 peak 222 spectrum 1 weight 0.11000E+01 volume 0.34236E-01 ppm1 1.819 ppm2 1.719 CV 1 ASSI { 223} (( segid "ENHF" and resid 51 and name HB1 )) (( segid "ENHF" and resid 51 and name HG2 )) 2.100 0.400 0.400 peak 223 spectrum 1 weight 0.10000E+01 volume 0.13536E-01 ppm1 1.820 ppm2 1.598 CV 1 OR { 223} (( segid "ENHF" and resid 51 and name HB1 )) (( segid "ENHF" and resid 51 and name HG1 )) ASSI { 224} (( segid "ENHF" and resid 41 and name HB )) (( segid "ENHF" and resid 38 and name HA )) 2.500 0.600 0.600 peak 224 spectrum 1 weight 0.11000E+01 volume 0.38938E-02 ppm1 1.811 ppm2 3.827 CV 1 ASSI { 225} (( segid "ENHF" and resid 41 and name HB )) ( segid "ENHF" and resid 41 and name HG2%) 2.100 0.500 0.500 peak 225 spectrum 1 weight 0.10000E+01 volume 0.10456E-01 ppm1 1.811 ppm2 0.618 CV 1 ASSI { 226} (( segid "ENHF" and resid 41 and name HB )) (( segid "ENHF" and resid 41 and name HA )) 3.400 1.100 1.100 peak 226 spectrum 1 weight 0.11000E+01 volume 0.85047E-03 ppm1 1.807 ppm2 3.466 CV 1 ASSI { 227} (( segid "ENHF" and resid 41 and name HB )) ( segid "ENHF" and resid 41 and name HD1%) 2.400 0.600 0.600 peak 227 spectrum 1 weight 0.10000E+01 volume 0.62419E-02 ppm1 1.809 ppm2 0.514 CV 1 ASSI { 230} (( segid "ENHF" and resid 42 and name HG1 )) (( segid "ENHF" and resid 42 and name HB2 )) 2.000 0.400 0.400 peak 230 spectrum 1 weight 0.11000E+01 volume 0.15032E-01 ppm1 1.796 ppm2 1.995 CV 1 ASSI { 231} (( segid "ENHF" and resid 42 and name HG1 )) (( segid "ENHF" and resid 42 and name HG2 )) 1.800 0.300 0.400 peak 231 spectrum 1 weight 0.11000E+01 volume 0.16622E-01 ppm1 1.795 ppm2 1.614 CV 1 ASSI { 232} (( segid "ENHF" and resid 52 and name HB1 )) (( segid "ENHF" and resid 52 and name HB2 )) 1.500 0.200 0.700 peak 232 spectrum 1 weight 0.10000E+01 volume 0.63777E-01 ppm1 1.764 ppm2 1.655 CV 1 ASSI { 233} (( segid "ENHF" and resid 52 and name HB1 )) (( segid "ENHF" and resid 52 and name HG2 )) 2.500 0.600 0.600 peak 233 spectrum 1 weight 0.11000E+01 volume 0.38147E-02 ppm1 1.765 ppm2 1.349 CV 1 ASSI { 234} (( segid "ENHF" and resid 33 and name HG1 )) (( segid "ENHF" and resid 33 and name HA )) 3.600 1.300 1.300 peak 234 spectrum 1 weight 0.10000E+01 volume 0.54175E-03 ppm1 1.743 ppm2 3.989 CV 1 ASSI { 235} (( segid "ENHF" and resid 33 and name HG1 )) (( segid "ENHF" and resid 33 and name HD2 )) 2.800 0.800 0.800 peak 235 spectrum 1 weight 0.11000E+01 volume 0.24197E-02 ppm1 1.739 ppm2 3.113 CV 1 ASSI { 236} (( segid "ENHF" and resid 33 and name HG1 )) (( segid "ENHF" and resid 33 and name HG2 )) 1.800 0.300 0.400 peak 236 spectrum 1 weight 0.10000E+01 volume 0.21090E-01 ppm1 1.736 ppm2 1.574 CV 1 ASSI { 237} (( segid "ENHF" and resid 3 and name HB2 )) (( segid "ENHF" and resid 3 and name HG2 )) 2.200 0.500 0.500 peak 237 spectrum 1 weight 0.10000E+01 volume 0.93054E-02 ppm1 1.753 ppm2 2.222 CV 1 OR { 237} (( segid "ENHF" and resid 3 and name HB2 )) (( segid "ENHF" and resid 3 and name HG1 )) ASSI { 243} (( segid "ENHF" and resid 51 and name HB2 )) (( segid "ENHF" and resid 51 and name HG1 )) 1.900 0.400 0.400 peak 243 spectrum 1 weight 0.10000E+01 volume 0.21756E-01 ppm1 1.720 ppm2 1.600 CV 1 OR { 243} (( segid "ENHF" and resid 51 and name HB2 )) (( segid "ENHF" and resid 51 and name HG2 )) ASSI { 245} (( segid "ENHF" and resid 13 and name HD2 )) (( segid "ENHF" and resid 13 and name HB2 )) 2.000 2.000 4.000 peak 245 spectrum 1 weight 0.10000E+01 volume 0.16443E-01 ppm1 1.732 ppm2 1.876 CV 1 OR { 245} (( segid "ENHF" and resid 13 and name HD1 )) (( segid "ENHF" and resid 13 and name HB2 )) ASSI { 248} (( segid "ENHF" and resid 21 and name HB2 )) (( segid "ENHF" and resid 21 and name HB1 )) 1.800 0.300 0.400 peak 248 spectrum 1 weight 0.10000E+01 volume 0.23608E-01 ppm1 1.734 ppm2 1.889 CV 1 ASSI { 249} (( segid "ENHF" and resid 21 and name HB2 )) (( segid "ENHF" and resid 21 and name HG1 )) 2.300 0.500 0.500 peak 249 spectrum 1 weight 0.11000E+01 volume 0.64242E-02 ppm1 1.729 ppm2 1.556 CV 1 ASSI { 253} (( segid "ENHF" and resid 13 and name HG1 )) (( segid "ENHF" and resid 13 and name HA )) 3.300 1.100 1.100 peak 253 spectrum 1 weight 0.11000E+01 volume 0.81272E-03 ppm1 1.725 ppm2 3.879 CV 1 ASSI { 254} (( segid "ENHF" and resid 13 and name HG1 )) (( segid "ENHF" and resid 13 and name HB1 )) 2.800 0.800 0.800 peak 254 spectrum 1 weight 0.11000E+01 volume 0.40686E-02 ppm1 1.722 ppm2 1.967 CV 1 ASSI { 255} (( segid "ENHF" and resid 13 and name HG1 )) (( segid "ENHF" and resid 13 and name HB2 )) 2.300 0.500 0.500 peak 255 spectrum 1 weight 0.11000E+01 volume 0.56601E-02 ppm1 1.724 ppm2 1.846 CV 1 ASSI { 256} (( segid "ENHF" and resid 13 and name HG1 )) (( segid "ENHF" and resid 13 and name HG2 )) 1.900 0.400 0.400 peak 256 spectrum 1 weight 0.11000E+01 volume 0.13783E-01 ppm1 1.724 ppm2 1.337 CV 1 ASSI { 257} (( segid "ENHF" and resid 17 and name HD1 )) (( segid "ENHF" and resid 17 and name HA )) 3.000 0.900 0.900 peak 257 spectrum 1 weight 0.10000E+01 volume 0.17350E-02 ppm1 1.679 ppm2 4.010 CV 1 OR { 257} (( segid "ENHF" and resid 17 and name HD2 )) (( segid "ENHF" and resid 17 and name HA )) ASSI { 258} (( segid "ENHF" and resid 17 and name HD1 )) (( segid "ENHF" and resid 17 and name HE2 )) 2.500 0.600 0.600 peak 258 spectrum 1 weight 0.11000E+01 volume 0.55901E-02 ppm1 1.682 ppm2 2.914 CV 1 ASSI { 259} (( segid "ENHF" and resid 17 and name HD2 )) (( segid "ENHF" and resid 17 and name HG2 )) 2.200 0.500 0.500 peak 259 spectrum 1 weight 0.11000E+01 volume 0.12523E-01 ppm1 1.674 ppm2 1.434 CV 1 ASSI { 261} (( segid "ENHF" and resid 52 and name HB2 )) (( segid "ENHF" and resid 52 and name HG1 )) 2.600 0.700 0.700 peak 261 spectrum 1 weight 0.11000E+01 volume 0.28577E-02 ppm1 1.660 ppm2 1.362 CV 1 ASSI { 262} (( segid "ENHF" and resid 27 and name HB2 )) (( segid "ENHF" and resid 27 and name HA )) 2.800 0.800 0.800 peak 262 spectrum 1 weight 0.10000E+01 volume 0.20313E-02 ppm1 1.644 ppm2 4.019 CV 1 ASSI { 264} (( segid "ENHF" and resid 27 and name HB2 )) (( segid "ENHF" and resid 27 and name HB1 )) 1.700 0.300 0.500 peak 264 spectrum 1 weight 0.11000E+01 volume 0.20502E-01 ppm1 1.642 ppm2 1.862 CV 1 ASSI { 265} (( segid "ENHF" and resid 27 and name HB2 )) (( segid "ENHF" and resid 22 and name HG11)) 3.900 1.500 1.500 peak 265 spectrum 1 weight 0.10000E+01 volume 0.10411E-02 ppm1 1.640 ppm2 1.495 CV 1 ASSI { 268} (( segid "ENHF" and resid 11 and name HG1 )) (( segid "ENHF" and resid 11 and name HE2 )) 4.300 1.900 1.700 peak 268 spectrum 1 weight 0.11000E+01 volume 0.20363E-03 ppm1 1.622 ppm2 2.920 CV 1 ASSI { 270} (( segid "ENHF" and resid 52 and name HD2 )) (( segid "ENHF" and resid 52 and name HA )) 4.500 2.000 1.500 peak 270 spectrum 1 weight 0.10000E+01 volume 0.38035E-03 ppm1 1.624 ppm2 4.089 CV 1 OR { 270} (( segid "ENHF" and resid 52 and name HD1 )) (( segid "ENHF" and resid 52 and name HA )) ASSI { 271} (( segid "ENHF" and resid 52 and name HD2 )) (( segid "ENHF" and resid 52 and name HE1 )) 2.700 0.700 0.700 peak 271 spectrum 1 weight 0.10000E+01 volume 0.30509E-02 ppm1 1.626 ppm2 2.920 CV 1 OR { 271} (( segid "ENHF" and resid 52 and name HD1 )) (( segid "ENHF" and resid 52 and name HE2 )) OR { 271} (( segid "ENHF" and resid 52 and name HD1 )) (( segid "ENHF" and resid 52 and name HE1 )) OR { 271} (( segid "ENHF" and resid 52 and name HD2 )) (( segid "ENHF" and resid 52 and name HE2 )) ASSI { 273} (( segid "ENHF" and resid 52 and name HD1 )) (( segid "ENHF" and resid 52 and name HG2 )) 2.100 0.400 0.400 peak 273 spectrum 1 weight 0.10000E+01 volume 0.14278E-01 ppm1 1.616 ppm2 1.353 CV 1 OR { 273} (( segid "ENHF" and resid 52 and name HD2 )) (( segid "ENHF" and resid 52 and name HG1 )) OR { 273} (( segid "ENHF" and resid 52 and name HD2 )) (( segid "ENHF" and resid 52 and name HG2 )) OR { 273} (( segid "ENHF" and resid 52 and name HD1 )) (( segid "ENHF" and resid 52 and name HG1 )) ASSI { 274} (( segid "ENHF" and resid 18 and name HB1 )) (( segid "ENHF" and resid 18 and name HD1 )) 3.200 1.000 1.000 peak 274 spectrum 1 weight 0.11000E+01 volume 0.92969E-03 ppm1 1.617 ppm2 3.049 CV 1 ASSI { 275} (( segid "ENHF" and resid 18 and name HB1 )) (( segid "ENHF" and resid 18 and name HA )) 2.700 0.700 0.700 peak 275 spectrum 1 weight 0.10000E+01 volume 0.24729E-02 ppm1 1.613 ppm2 4.121 CV 1 ASSI { 280} (( segid "ENHF" and resid 18 and name HG1 )) (( segid "ENHF" and resid 18 and name HD2 )) 2.400 0.600 0.600 peak 280 spectrum 1 weight 0.10000E+01 volume 0.42995E-02 ppm1 1.622 ppm2 3.058 CV 1 OR { 280} (( segid "ENHF" and resid 18 and name HG1 )) (( segid "ENHF" and resid 18 and name HD1 )) ASSI { 283} (( segid "ENHF" and resid 27 and name HG )) ( segid "ENHF" and resid 27 and name HD2%) 3.100 0.900 0.900 peak 283 spectrum 1 weight 0.10000E+01 volume 0.13499E-02 ppm1 1.602 ppm2 0.868 CV 1 ASSI { 284} (( segid "ENHF" and resid 51 and name HG1 )) (( segid "ENHF" and resid 51 and name HD2 )) 2.200 0.500 0.500 peak 284 spectrum 1 weight 0.11000E+01 volume 0.69943E-02 ppm1 1.594 ppm2 3.104 CV 1 ASSI { 285} (( segid "ENHF" and resid 51 and name HG2 )) (( segid "ENHF" and resid 51 and name HA )) 3.300 1.100 1.100 peak 285 spectrum 1 weight 0.10000E+01 volume 0.89318E-03 ppm1 1.600 ppm2 4.271 CV 1 OR { 285} (( segid "ENHF" and resid 51 and name HG1 )) (( segid "ENHF" and resid 51 and name HA )) ASSI { 289} (( segid "ENHF" and resid 2 and name HD2 )) (( segid "ENHF" and resid 2 and name HG2 )) 2.300 0.500 0.500 peak 289 spectrum 1 weight 0.10000E+01 volume 0.81652E-02 ppm1 1.551 ppm2 1.231 CV 1 OR { 289} (( segid "ENHF" and resid 2 and name HD1 )) (( segid "ENHF" and resid 2 and name HG1 )) OR { 289} (( segid "ENHF" and resid 2 and name HD1 )) (( segid "ENHF" and resid 2 and name HG2 )) OR { 289} (( segid "ENHF" and resid 2 and name HD2 )) (( segid "ENHF" and resid 2 and name HG1 )) ASSI { 290} (( segid "ENHF" and resid 21 and name HG2 )) (( segid "ENHF" and resid 21 and name HA )) 3.100 0.900 0.900 peak 290 spectrum 1 weight 0.11000E+01 volume 0.14010E-02 ppm1 1.565 ppm2 4.420 CV 1 ASSI { 291} (( segid "ENHF" and resid 21 and name HG1 )) (( segid "ENHF" and resid 21 and name HD1 )) 2.900 0.900 0.900 peak 291 spectrum 1 weight 0.10000E+01 volume 0.16812E-02 ppm1 1.529 ppm2 3.177 CV 1 OR { 291} (( segid "ENHF" and resid 21 and name HG1 )) (( segid "ENHF" and resid 21 and name HD2 )) OR { 291} (( segid "ENHF" and resid 21 and name HG2 )) (( segid "ENHF" and resid 21 and name HD2 )) ASSI { 295} (( segid "ENHF" and resid 18 and name HG2 )) (( segid "ENHF" and resid 18 and name HA )) 3.700 1.400 1.400 peak 295 spectrum 1 weight 0.10000E+01 volume 0.40302E-03 ppm1 1.518 ppm2 4.122 CV 1 ASSI { 297} (( segid "ENHF" and resid 18 and name HB2 )) (( segid "ENHF" and resid 18 and name HA )) 3.100 1.000 1.000 peak 297 spectrum 1 weight 0.10000E+01 volume 0.18445E-02 ppm1 1.520 ppm2 4.125 CV 1 ASSI { 298} (( segid "ENHF" and resid 18 and name HB2 )) (( segid "ENHF" and resid 18 and name HB1 )) 1.800 0.300 0.400 peak 298 spectrum 1 weight 0.10000E+01 volume 0.21955E-01 ppm1 1.519 ppm2 1.612 CV 1 ASSI { 300} (( segid "ENHF" and resid 22 and name HG11)) (( segid "ENHF" and resid 22 and name HG12)) 1.800 0.300 0.400 peak 300 spectrum 1 weight 0.11000E+01 volume 0.16542E-01 ppm1 1.518 ppm2 1.229 CV 1 ASSI { 301} (( segid "ENHF" and resid 22 and name HG11)) ( segid "ENHF" and resid 22 and name HG2%) 3.500 1.200 1.200 peak 301 spectrum 1 weight 0.10000E+01 volume 0.15200E-02 ppm1 1.520 ppm2 0.834 CV 1 ASSI { 304} (( segid "ENHF" and resid 2 and name HB1 )) (( segid "ENHF" and resid 2 and name HB2 )) 1.700 0.300 0.500 peak 304 spectrum 1 weight 0.11000E+01 volume 0.33929E-01 ppm1 1.495 ppm2 1.361 CV 1 ASSI { 305} (( segid "ENHF" and resid 2 and name HB1 )) (( segid "ENHF" and resid 2 and name HG2 )) 2.000 0.400 0.400 peak 305 spectrum 1 weight 0.10000E+01 volume 0.16556E-01 ppm1 1.491 ppm2 1.227 CV 1 OR { 305} (( segid "ENHF" and resid 2 and name HB1 )) (( segid "ENHF" and resid 2 and name HG1 )) ASSI { 306} (( segid "ENHF" and resid 34 and name HB1 )) (( segid "ENHF" and resid 34 and name HB2 )) 1.800 0.300 0.400 peak 306 spectrum 1 weight 0.11000E+01 volume 0.14671E-01 ppm1 1.482 ppm2 1.385 CV 1 ASSI { 307} (( segid "ENHF" and resid 34 and name HB1 )) ( segid "ENHF" and resid 34 and name HD2%) 2.700 0.700 0.700 peak 307 spectrum 1 weight 0.10000E+01 volume 0.28122E-02 ppm1 1.484 ppm2 0.534 CV 1 ASSI { 309} (( segid "ENHF" and resid 34 and name HB1 )) (( segid "ENHF" and resid 34 and name HG )) 2.500 0.600 0.600 peak 309 spectrum 1 weight 0.10000E+01 volume 0.60206E-02 ppm1 1.480 ppm2 1.225 CV 1 ASSI { 310} (( segid "ENHF" and resid 34 and name HB1 )) ( segid "ENHF" and resid 34 and name HD1%) 2.700 0.700 0.700 peak 310 spectrum 1 weight 0.11000E+01 volume 0.24916E-02 ppm1 1.480 ppm2 0.397 CV 1 ASSI { 313} (( segid "ENHF" and resid 11 and name HG2 )) (( segid "ENHF" and resid 11 and name HG1 )) 1.800 0.300 0.400 peak 313 spectrum 1 weight 0.11000E+01 volume 0.17771E-01 ppm1 1.481 ppm2 1.613 CV 1 ASSI { 314} (( segid "ENHF" and resid 11 and name HG2 )) (( segid "ENHF" and resid 11 and name HE2 )) 4.400 1.900 1.600 peak 314 spectrum 1 weight 0.11000E+01 volume 0.18544E-03 ppm1 1.478 ppm2 2.923 CV 1 ASSI { 315} (( segid "ENHF" and resid 22 and name HG11)) (( segid "ENHF" and resid 26 and name HB1 )) 4.800 2.300 1.200 peak 315 spectrum 1 weight 0.10000E+01 volume 0.11154E-03 ppm1 1.514 ppm2 2.312 CV 1 OR { 315} (( segid "ENHF" and resid 22 and name HG11)) (( segid "ENHF" and resid 26 and name HG1 )) OR { 315} (( segid "ENHF" and resid 22 and name HG11)) (( segid "ENHF" and resid 26 and name HG2 )) ASSI { 316} (( segid "ENHF" and resid 36 and name HG )) ( segid "ENHF" and resid 36 and name HD1%) 5.700 5.700 0.300 peak 316 spectrum 1 weight 0.10000E+01 volume 0.28471E-04 ppm1 1.474 ppm2 0.515 CV 1 ASSI { 317} (( segid "ENHF" and resid 36 and name HG )) (( segid "ENHF" and resid 36 and name HA )) 6.000 3.800 0.000 peak 317 spectrum 1 weight 0.11000E+01 volume 0.27543E-04 ppm1 1.471 ppm2 4.413 CV 1 ASSI { 318} (( segid "ENHF" and resid 36 and name HG )) (( segid "ENHF" and resid 36 and name HB2 )) 4.500 2.000 1.500 peak 318 spectrum 1 weight 0.11000E+01 volume 0.92286E-04 ppm1 1.465 ppm2 1.252 CV 1 ASSI { 319} (( segid "ENHF" and resid 17 and name HG2 )) (( segid "ENHF" and resid 17 and name HE2 )) 4.400 1.900 1.600 peak 319 spectrum 1 weight 0.10000E+01 volume 0.25409E-03 ppm1 1.432 ppm2 2.915 CV 1 OR { 319} (( segid "ENHF" and resid 17 and name HG2 )) (( segid "ENHF" and resid 17 and name HE1 )) ASSI { 320} (( segid "ENHF" and resid 17 and name HG2 )) (( segid "ENHF" and resid 17 and name HA )) 3.800 1.400 1.400 peak 320 spectrum 1 weight 0.11000E+01 volume 0.62240E-03 ppm1 1.430 ppm2 4.006 CV 1 ASSI { 321} (( segid "ENHF" and resid 17 and name HG2 )) (( segid "ENHF" and resid 17 and name HG1 )) 1.800 0.300 0.400 peak 321 spectrum 1 weight 0.11000E+01 volume 0.21275E-01 ppm1 1.430 ppm2 1.559 CV 1 ASSI { 322} (( segid "ENHF" and resid 36 and name HB1 )) (( segid "ENHF" and resid 36 and name HB2 )) 1.600 0.300 0.600 peak 322 spectrum 1 weight 0.11000E+01 volume 0.25611E-01 ppm1 1.421 ppm2 1.255 CV 1 ASSI { 323} (( segid "ENHF" and resid 36 and name HB1 )) ( segid "ENHF" and resid 36 and name HD2%) 2.700 0.800 0.800 peak 323 spectrum 1 weight 0.11000E+01 volume 0.20153E-02 ppm1 1.422 ppm2 0.616 CV 1 ASSI { 324} (( segid "ENHF" and resid 36 and name HB1 )) ( segid "ENHF" and resid 36 and name HD1%) 2.600 0.700 0.700 peak 324 spectrum 1 weight 0.10000E+01 volume 0.31594E-02 ppm1 1.425 ppm2 0.519 CV 1 ASSI { 326} (( segid "ENHF" and resid 12 and name HB1 )) (( segid "ENHF" and resid 12 and name HG )) 2.800 0.800 0.800 peak 326 spectrum 1 weight 0.11000E+01 volume 0.17905E-02 ppm1 1.401 ppm2 1.279 CV 1 ASSI { 328} (( segid "ENHF" and resid 12 and name HB1 )) (( segid "ENHF" and resid 12 and name HB2 )) 1.900 0.300 0.300 peak 328 spectrum 1 weight 0.11000E+01 volume 0.13994E-01 ppm1 1.400 ppm2 1.002 CV 1 ASSI { 330} (( segid "ENHF" and resid 12 and name HB1 )) ( segid "ENHF" and resid 12 and name HD2%) 3.300 1.100 1.100 peak 330 spectrum 1 weight 0.11000E+01 volume 0.75913E-03 ppm1 1.396 ppm2 -0.040 CV 1 ASSI { 332} (( segid "ENHF" and resid 2 and name HB2 )) (( segid "ENHF" and resid 2 and name HG1 )) 2.100 0.500 0.500 peak 332 spectrum 1 weight 0.10000E+01 volume 0.13460E-01 ppm1 1.362 ppm2 1.226 CV 1 OR { 332} (( segid "ENHF" and resid 2 and name HB2 )) (( segid "ENHF" and resid 2 and name HG2 )) ASSI { 333} (( segid "ENHF" and resid 52 and name HG2 )) (( segid "ENHF" and resid 52 and name HB1 )) 3.000 0.900 0.900 peak 333 spectrum 1 weight 0.10000E+01 volume 0.16697E-02 ppm1 1.346 ppm2 1.747 CV 1 OR { 333} (( segid "ENHF" and resid 52 and name HG1 )) (( segid "ENHF" and resid 52 and name HB1 )) ASSI { 335} (( segid "ENHF" and resid 13 and name HG2 )) (( segid "ENHF" and resid 13 and name HE1 )) 3.800 1.400 1.400 peak 335 spectrum 1 weight 0.10000E+01 volume 0.37204E-03 ppm1 1.339 ppm2 2.893 CV 1 OR { 335} (( segid "ENHF" and resid 13 and name HG2 )) (( segid "ENHF" and resid 13 and name HE2 )) ASSI { 336} (( segid "ENHF" and resid 13 and name HG2 )) (( segid "ENHF" and resid 13 and name HB1 )) 2.700 0.700 0.700 peak 336 spectrum 1 weight 0.10000E+01 volume 0.21814E-02 ppm1 1.334 ppm2 1.966 CV 1 ASSI { 337} (( segid "ENHF" and resid 13 and name HG2 )) (( segid "ENHF" and resid 13 and name HB2 )) 2.900 0.800 0.800 peak 337 spectrum 1 weight 0.10000E+01 volume 0.30519E-02 ppm1 1.338 ppm2 1.855 CV 1 ASSI { 340} ( segid "ENHF" and resid 23 and name HG2%) (( segid "ENHF" and resid 23 and name HB )) 2.200 0.500 0.500 peak 340 spectrum 1 weight 0.11000E+01 volume 0.91240E-02 ppm1 1.324 ppm2 4.713 CV 1 ASSI { 341} ( segid "ENHF" and resid 23 and name HG2%) (( segid "ENHF" and resid 23 and name HA )) 2.500 0.600 0.600 peak 341 spectrum 1 weight 0.11000E+01 volume 0.52998E-02 ppm1 1.324 ppm2 4.609 CV 1 ASSI { 346} (( segid "ENHF" and resid 36 and name HB2 )) ( segid "ENHF" and resid 40 and name HB% ) 4.100 1.700 1.700 peak 346 spectrum 1 weight 0.10000E+01 volume 0.80295E-03 ppm1 1.251 ppm2 1.565 CV 1 ASSI { 349} (( segid "ENHF" and resid 36 and name HB2 )) ( segid "ENHF" and resid 36 and name HD1%) 2.900 0.900 0.900 peak 349 spectrum 1 weight 0.10000E+01 volume 0.18684E-02 ppm1 1.252 ppm2 0.519 CV 1 ASSI { 352} (( segid "ENHF" and resid 22 and name HG12)) ( segid "ENHF" and resid 22 and name HG2%) 2.600 0.700 0.700 peak 352 spectrum 1 weight 0.10000E+01 volume 0.28744E-02 ppm1 1.231 ppm2 0.840 CV 1 ASSI { 354} (( segid "ENHF" and resid 22 and name HG12)) ( segid "ENHF" and resid 22 and name HD1%) 2.700 0.700 0.700 peak 354 spectrum 1 weight 0.11000E+01 volume 0.24596E-02 ppm1 1.227 ppm2 0.701 CV 1 ASSI { 356} (( segid "ENHF" and resid 12 and name HG )) (( segid "ENHF" and resid 12 and name HB2 )) 2.500 0.600 0.600 peak 356 spectrum 1 weight 0.11000E+01 volume 0.70040E-02 ppm1 1.272 ppm2 1.007 CV 1 ASSI { 358} (( segid "ENHF" and resid 12 and name HG )) ( segid "ENHF" and resid 12 and name HD1%) 2.800 0.800 0.800 peak 358 spectrum 1 weight 0.11000E+01 volume 0.23936E-02 ppm1 1.266 ppm2 0.249 CV 1 ASSI { 361} (( segid "ENHF" and resid 2 and name HG1 )) (( segid "ENHF" and resid 2 and name HA )) 3.300 1.100 1.100 peak 361 spectrum 1 weight 0.10000E+01 volume 0.10363E-02 ppm1 1.212 ppm2 4.101 CV 1 OR { 361} (( segid "ENHF" and resid 2 and name HG2 )) (( segid "ENHF" and resid 2 and name HA )) ASSI { 363} (( segid "ENHF" and resid 2 and name HG2 )) (( segid "ENHF" and resid 2 and name HB1 )) 2.100 0.500 0.500 peak 363 spectrum 1 weight 0.10000E+01 volume 0.12082E-01 ppm1 1.213 ppm2 1.508 CV 1 OR { 363} (( segid "ENHF" and resid 2 and name HG1 )) (( segid "ENHF" and resid 2 and name HD1 )) OR { 363} (( segid "ENHF" and resid 2 and name HG1 )) (( segid "ENHF" and resid 2 and name HB1 )) OR { 363} (( segid "ENHF" and resid 2 and name HG2 )) (( segid "ENHF" and resid 2 and name HD1 )) OR { 363} (( segid "ENHF" and resid 2 and name HG1 )) (( segid "ENHF" and resid 2 and name HD2 )) ASSI { 366} ( segid "ENHF" and resid 16 and name HG2%) ( segid "ENHF" and resid 44 and name HE% ) 3.500 1.200 1.200 peak 366 spectrum 1 weight 0.11000E+01 volume 0.62299E-03 ppm1 1.055 ppm2 6.809 CV 1 ASSI { 368} ( segid "ENHF" and resid 16 and name HG2%) (( segid "ENHF" and resid 16 and name HB )) 2.200 0.500 0.500 peak 368 spectrum 1 weight 0.10000E+01 volume 0.87558E-02 ppm1 1.054 ppm2 2.141 CV 1 ASSI { 369} ( segid "ENHF" and resid 16 and name HG2%) ( segid "ENHF" and resid 12 and name HD1%) 4.500 2.000 1.500 peak 369 spectrum 1 weight 0.11000E+01 volume 0.17733E-03 ppm1 1.055 ppm2 0.249 CV 1 ASSI { 373} (( segid "ENHF" and resid 12 and name HB2 )) ( segid "ENHF" and resid 12 and name HD1%) 2.800 0.800 0.800 peak 373 spectrum 1 weight 0.10000E+01 volume 0.21506E-02 ppm1 0.999 ppm2 0.249 CV 1 ASSI { 374} (( segid "ENHF" and resid 12 and name HB2 )) ( segid "ENHF" and resid 12 and name HD2%) 3.500 1.200 1.200 peak 374 spectrum 1 weight 0.11000E+01 volume 0.69186E-03 ppm1 1.003 ppm2 -0.048 CV 1 ASSI { 383} ( segid "ENHF" and resid 27 and name HD2%) (( segid "ENHF" and resid 27 and name HA )) 2.700 2.700 3.300 peak 383 spectrum 1 weight 0.10000E+01 volume 0.36687E-02 ppm1 0.865 ppm2 4.022 CV 1 ASSI { 385} ( segid "ENHF" and resid 27 and name HD2%) (( segid "ENHF" and resid 27 and name HB1 )) 2.900 0.900 0.900 peak 385 spectrum 1 weight 0.11000E+01 volume 0.15525E-02 ppm1 0.865 ppm2 1.856 CV 1 ASSI { 386} ( segid "ENHF" and resid 27 and name HD2%) (( segid "ENHF" and resid 27 and name HG )) 2.400 0.600 0.600 peak 386 spectrum 1 weight 0.10000E+01 volume 0.59992E-02 ppm1 0.866 ppm2 1.615 CV 1 OR { 386} ( segid "ENHF" and resid 27 and name HD2%) (( segid "ENHF" and resid 27 and name HB2 )) ASSI { 387} ( segid "ENHF" and resid 27 and name HD2%) ( segid "ENHF" and resid 41 and name HD1%) 3.200 3.200 2.800 peak 387 spectrum 1 weight 0.11000E+01 volume 0.15018E-02 ppm1 0.865 ppm2 0.501 CV 1 ASSI { 389} ( segid "ENHF" and resid 27 and name HD1%) ( segid "ENHF" and resid 15 and name HD% ) 4.300 1.900 1.700 peak 389 spectrum 1 weight 0.11000E+01 volume 0.19181E-03 ppm1 0.790 ppm2 6.652 CV 1 OR { 389} ( segid "ENHF" and resid 27 and name HD1%) ( segid "ENHF" and resid 15 and name HE% ) ASSI { 390} ( segid "ENHF" and resid 27 and name HD1%) (( segid "ENHF" and resid 27 and name HA )) 3.300 1.100 1.100 peak 390 spectrum 1 weight 0.10000E+01 volume 0.11773E-02 ppm1 0.793 ppm2 4.020 CV 1 ASSI { 392} ( segid "ENHF" and resid 27 and name HD1%) ( segid "ENHF" and resid 16 and name HG2%) 3.200 1.000 1.000 peak 392 spectrum 1 weight 0.10000E+01 volume 0.10068E-02 ppm1 0.792 ppm2 1.061 CV 1 ASSI { 393} ( segid "ENHF" and resid 27 and name HD1%) ( segid "ENHF" and resid 12 and name HD1%) 3.600 1.300 1.300 peak 393 spectrum 1 weight 0.10000E+01 volume 0.55038E-03 ppm1 0.793 ppm2 0.260 CV 1 ASSI { 394} ( segid "ENHF" and resid 27 and name HD1%) ( segid "ENHF" and resid 41 and name HD1%) 3.500 3.500 2.500 peak 394 spectrum 1 weight 0.11000E+01 volume 0.93790E-03 ppm1 0.788 ppm2 0.494 CV 1 ASSI { 395} ( segid "ENHF" and resid 8 and name HG1%) (( segid "ENHF" and resid 8 and name HA )) 2.600 0.700 0.700 peak 395 spectrum 1 weight 0.11000E+01 volume 0.30197E-02 ppm1 0.644 ppm2 3.515 CV 1 ASSI { 396} ( segid "ENHF" and resid 8 and name HG1%) (( segid "ENHF" and resid 4 and name HB1 )) 4.500 2.000 1.500 peak 396 spectrum 1 weight 0.10000E+01 volume 0.47872E-03 ppm1 0.649 ppm2 3.384 CV 1 ASSI { 397} ( segid "ENHF" and resid 8 and name HG1%) (( segid "ENHF" and resid 4 and name HB2 )) 3.500 1.300 1.300 peak 397 spectrum 1 weight 0.10000E+01 volume 0.90039E-03 ppm1 0.643 ppm2 3.131 CV 1 ASSI { 398} ( segid "ENHF" and resid 8 and name HG1%) (( segid "ENHF" and resid 8 and name HB )) 2.300 0.500 0.500 peak 398 spectrum 1 weight 0.11000E+01 volume 0.63049E-02 ppm1 0.643 ppm2 2.104 CV 1 ASSI { 402} ( segid "ENHF" and resid 8 and name HG1%) ( segid "ENHF" and resid 8 and name HG2%) 2.200 2.200 3.800 peak 402 spectrum 1 weight 0.11000E+01 volume 0.85241E-02 ppm1 0.643 ppm2 0.956 CV 1 ASSI { 404} ( segid "ENHF" and resid 8 and name HG1%) ( segid "ENHF" and resid 34 and name HD1%) 2.400 0.600 0.600 peak 404 spectrum 1 weight 0.10000E+01 volume 0.46345E-02 ppm1 0.642 ppm2 0.398 CV 1 ASSI { 405} ( segid "ENHF" and resid 8 and name HG1%) ( segid "ENHF" and resid 12 and name HD1%) 2.900 0.800 0.800 peak 405 spectrum 1 weight 0.10000E+01 volume 0.20700E-02 ppm1 0.642 ppm2 0.284 CV 1 ASSI { 407} ( segid "ENHF" and resid 36 and name HD2%) (( segid "ENHF" and resid 36 and name HA )) 2.400 0.600 0.600 peak 407 spectrum 1 weight 0.10000E+01 volume 0.45883E-02 ppm1 0.613 ppm2 4.423 CV 1 ASSI { 408} ( segid "ENHF" and resid 36 and name HD2%) ( segid "ENHF" and resid 40 and name HB% ) 3.100 1.000 1.000 peak 408 spectrum 1 weight 0.10000E+01 volume 0.19358E-02 ppm1 0.613 ppm2 1.566 CV 1 ASSI { 409} ( segid "ENHF" and resid 36 and name HD2%) (( segid "ENHF" and resid 36 and name HG )) 2.300 0.500 0.500 peak 409 spectrum 1 weight 0.10000E+01 volume 0.64804E-02 ppm1 0.613 ppm2 1.447 CV 1 OR { 409} ( segid "ENHF" and resid 36 and name HD2%) (( segid "ENHF" and resid 36 and name HB1 )) ASSI { 411} ( segid "ENHF" and resid 36 and name HD2%) ( segid "ENHF" and resid 12 and name HD1%) 2.800 2.800 3.200 peak 411 spectrum 1 weight 0.11000E+01 volume 0.17225E-02 ppm1 0.612 ppm2 0.271 CV 1 ASSI { 412} ( segid "ENHF" and resid 36 and name HD2%) ( segid "ENHF" and resid 12 and name HD2%) 3.800 3.800 2.200 peak 412 spectrum 1 weight 0.11000E+01 volume 0.57445E-03 ppm1 0.609 ppm2 -0.040 CV 1 ASSI { 414} ( segid "ENHF" and resid 34 and name HD2%) (( segid "ENHF" and resid 11 and name HB1 )) 3.700 1.300 1.300 peak 414 spectrum 1 weight 0.10000E+01 volume 0.32215E-03 ppm1 0.550 ppm2 1.926 CV 1 OR { 414} ( segid "ENHF" and resid 34 and name HD2%) (( segid "ENHF" and resid 11 and name HB2 )) ASSI { 415} ( segid "ENHF" and resid 34 and name HD2%) (( segid "ENHF" and resid 33 and name HG2 )) 3.200 1.000 1.000 peak 415 spectrum 1 weight 0.10000E+01 volume 0.10328E-02 ppm1 0.547 ppm2 1.609 CV 1 ASSI { 417} ( segid "ENHF" and resid 34 and name HD2%) (( segid "ENHF" and resid 34 and name HB2 )) 3.200 1.000 1.000 peak 417 spectrum 1 weight 0.10000E+01 volume 0.25506E-02 ppm1 0.547 ppm2 1.377 CV 1 ASSI { 418} ( segid "ENHF" and resid 34 and name HD2%) (( segid "ENHF" and resid 34 and name HG )) 2.500 0.600 0.600 peak 418 spectrum 1 weight 0.10000E+01 volume 0.45625E-02 ppm1 0.546 ppm2 1.215 CV 1 ASSI { 422} ( segid "ENHF" and resid 36 and name HD1%) ( segid "ENHF" and resid 12 and name HD2%) 2.900 0.800 0.800 peak 422 spectrum 1 weight 0.11000E+01 volume 0.18105E-02 ppm1 0.515 ppm2 -0.044 CV 1 ASSI { 423} ( segid "ENHF" and resid 34 and name HD1%) ( segid "ENHF" and resid 30 and name HE% ) 3.600 1.300 1.300 peak 423 spectrum 1 weight 0.10000E+01 volume 0.50540E-03 ppm1 0.394 ppm2 6.345 CV 1 ASSI { 424} ( segid "ENHF" and resid 34 and name HD1%) (( segid "ENHF" and resid 8 and name HA )) 3.400 1.100 1.100 peak 424 spectrum 1 weight 0.11000E+01 volume 0.88124E-03 ppm1 0.395 ppm2 3.519 CV 1 ASSI { 425} ( segid "ENHF" and resid 34 and name HD1%) (( segid "ENHF" and resid 11 and name HB1 )) 3.200 1.000 1.000 peak 425 spectrum 1 weight 0.10000E+01 volume 0.79807E-03 ppm1 0.398 ppm2 1.943 CV 1 ASSI { 427} ( segid "ENHF" and resid 34 and name HD1%) (( segid "ENHF" and resid 34 and name HB2 )) 2.600 0.700 0.700 peak 427 spectrum 1 weight 0.10000E+01 volume 0.35399E-02 ppm1 0.395 ppm2 1.378 CV 1 ASSI { 429} ( segid "ENHF" and resid 12 and name HD1%) ( segid "ENHF" and resid 30 and name HD% ) 3.400 3.400 2.600 peak 429 spectrum 1 weight 0.11000E+01 volume 0.69242E-03 ppm1 0.250 ppm2 6.451 CV 1 ASSI { 430} ( segid "ENHF" and resid 12 and name HD1%) ( segid "ENHF" and resid 30 and name HE% ) 3.700 3.700 2.300 peak 430 spectrum 1 weight 0.11000E+01 volume 0.47383E-03 ppm1 0.248 ppm2 6.349 CV 1 ASSI { 433} ( segid "ENHF" and resid 12 and name HD1%) (( segid "ENHF" and resid 12 and name HB1 )) 3.700 1.300 1.300 peak 433 spectrum 1 weight 0.10000E+01 volume 0.11683E-02 ppm1 0.247 ppm2 1.400 CV 1 ASSI { 436} ( segid "ENHF" and resid 12 and name HD1%) ( segid "ENHF" and resid 27 and name HD2%) 4.100 1.700 1.700 peak 436 spectrum 1 weight 0.10000E+01 volume 0.26039E-03 ppm1 0.245 ppm2 0.863 CV 1 ASSI { 438} ( segid "ENHF" and resid 12 and name HD1%) ( segid "ENHF" and resid 36 and name HD1%) 2.800 0.800 0.800 peak 438 spectrum 1 weight 0.10000E+01 volume 0.24134E-02 ppm1 0.246 ppm2 0.518 CV 1 ASSI { 443} (( segid "ENHF" and resid 34 and name HB2 )) (( segid "ENHF" and resid 34 and name HG )) 2.300 0.500 0.500 peak 443 spectrum 1 weight 0.10000E+01 volume 0.57953E-02 ppm1 1.381 ppm2 1.222 CV 1 ASSI { 447} ( segid "ENHF" and resid 12 and name HD2%) ( segid "ENHF" and resid 8 and name HG1%) 3.000 0.900 0.900 peak 447 spectrum 1 weight 0.10000E+01 volume 0.17425E-02 ppm1 -0.039 ppm2 0.641 CV 1 ASSI { 448} ( segid "ENHF" and resid 12 and name HD2%) ( segid "ENHF" and resid 12 and name HD1%) 2.600 0.700 0.700 peak 448 spectrum 1 weight 0.11000E+01 volume 0.38118E-02 ppm1 -0.040 ppm2 0.245 CV 1 ASSI { 451} (( segid "ENHF" and resid 37 and name HA )) ( segid "ENHF" and resid 31 and name HB% ) 6.000 5.800 0.000 peak 451 spectrum 1 weight 0.10000E+01 volume 0.79985E-05 ppm1 4.644 ppm2 1.314 CV 1 ASSI { 452} (( segid "ENHF" and resid 37 and name HA )) ( segid "ENHF" and resid 41 and name HD1%) 5.600 3.200 0.400 peak 452 spectrum 1 weight 0.10000E+01 volume 0.39290E-04 ppm1 4.634 ppm2 0.511 CV 1 ASSI { 454} ( segid "ENHF" and resid 40 and name HB% ) (( segid "ENHF" and resid 36 and name HA )) 4.900 2.400 1.100 peak 454 spectrum 1 weight 0.10000E+01 volume 0.13507E-03 ppm1 1.561 ppm2 4.432 CV 1 ASSI { 455} ( segid "ENHF" and resid 40 and name HB% ) (( segid "ENHF" and resid 37 and name HB2 )) 4.500 2.000 1.500 peak 455 spectrum 1 weight 0.10000E+01 volume 0.10179E-03 ppm1 1.566 ppm2 2.916 CV 1 ASSI { 457} ( segid "ENHF" and resid 40 and name HB% ) ( segid "ENHF" and resid 8 and name HG2%) 6.000 6.000 0.000 peak 457 spectrum 1 weight 0.11000E+01 volume 0.81365E-05 ppm1 1.560 ppm2 0.962 CV 1 ASSI { 459} ( segid "ENHF" and resid 40 and name HB% ) ( segid "ENHF" and resid 36 and name HD1%) 3.300 1.100 1.100 peak 459 spectrum 1 weight 0.10000E+01 volume 0.86372E-03 ppm1 1.569 ppm2 0.518 CV 1 ASSI { 460} ( segid "ENHF" and resid 40 and name HB% ) (( segid "ENHF" and resid 4 and name HZ3 )) 4.000 4.000 2.000 peak 460 spectrum 1 weight 0.10000E+01 volume 0.20717E-03 ppm1 1.568 ppm2 7.076 CV 1 OR { 460} ( segid "ENHF" and resid 40 and name HB% ) (( segid "ENHF" and resid 4 and name HH2 )) ASSI { 461} ( segid "ENHF" and resid 40 and name HB% ) (( segid "ENHF" and resid 4 and name HE3 )) 3.800 1.400 1.400 peak 461 spectrum 1 weight 0.10000E+01 volume 0.27986E-03 ppm1 1.565 ppm2 7.443 CV 1 OR { 461} ( segid "ENHF" and resid 40 and name HB% ) (( segid "ENHF" and resid 4 and name HZ2 )) ASSI { 468} ( segid "ENHF" and resid 31 and name HB% ) (( segid "ENHF" and resid 41 and name HG12)) 3.600 1.300 1.300 peak 468 spectrum 1 weight 0.10000E+01 volume 0.43743E-03 ppm1 1.277 ppm2 1.718 CV 1 ASSI { 471} ( segid "ENHF" and resid 31 and name HB% ) ( segid "ENHF" and resid 34 and name HD1%) 4.700 2.200 1.300 peak 471 spectrum 1 weight 0.10000E+01 volume 0.21963E-03 ppm1 1.278 ppm2 0.389 CV 1 ASSI { 472} ( segid "ENHF" and resid 31 and name HB% ) ( segid "ENHF" and resid 12 and name HD1%) 3.400 3.400 2.600 peak 472 spectrum 1 weight 0.11000E+01 volume 0.85589E-03 ppm1 1.278 ppm2 0.253 CV 1 ASSI { 473} ( segid "ENHF" and resid 31 and name HB% ) ( segid "ENHF" and resid 12 and name HD2%) 4.500 4.500 1.500 peak 473 spectrum 1 weight 0.11000E+01 volume 0.19565E-03 ppm1 1.280 ppm2 -0.024 CV 1 ASSI { 480} ( segid "ENHF" and resid 41 and name HG2%) (( segid "ENHF" and resid 41 and name HG12)) 3.700 1.400 1.400 peak 480 spectrum 1 weight 0.10000E+01 volume 0.46311E-03 ppm1 0.622 ppm2 1.699 CV 1 ASSI { 482} ( segid "ENHF" and resid 41 and name HG2%) ( segid "ENHF" and resid 31 and name HB% ) 4.200 1.800 1.800 peak 482 spectrum 1 weight 0.10000E+01 volume 0.43910E-03 ppm1 0.621 ppm2 1.271 CV 1 ASSI { 483} ( segid "ENHF" and resid 41 and name HG2%) ( segid "ENHF" and resid 12 and name HD1%) 3.200 3.200 2.800 peak 483 spectrum 1 weight 0.10000E+01 volume 0.76192E-03 ppm1 0.622 ppm2 0.255 CV 1 ASSI { 484} ( segid "ENHF" and resid 41 and name HG2%) ( segid "ENHF" and resid 12 and name HD2%) 4.400 4.400 1.600 peak 484 spectrum 1 weight 0.11000E+01 volume 0.17360E-03 ppm1 0.622 ppm2 -0.059 CV 1 ASSI { 485} ( segid "ENHF" and resid 22 and name HG2%) ( segid "ENHF" and resid 45 and name HE% ) 6.000 6.000 0.000 peak 485 spectrum 1 weight 0.11000E+01 volume 0.76726E-05 ppm1 0.847 ppm2 7.190 CV 1 ASSI { 486} ( segid "ENHF" and resid 22 and name HG2%) ( segid "ENHF" and resid 15 and name HD% ) 4.100 1.700 1.700 peak 486 spectrum 1 weight 0.10000E+01 volume 0.26576E-03 ppm1 0.842 ppm2 6.676 CV 1 OR { 486} ( segid "ENHF" and resid 22 and name HG2%) ( segid "ENHF" and resid 15 and name HE% ) ASSI { 488} ( segid "ENHF" and resid 22 and name HG2%) (( segid "ENHF" and resid 27 and name HA )) 6.000 3.600 0.000 peak 488 spectrum 1 weight 0.10000E+01 volume 0.32721E-04 ppm1 0.852 ppm2 4.001 CV 1 ASSI { 491} ( segid "ENHF" and resid 22 and name HG2%) (( segid "ENHF" and resid 26 and name HB1 )) 5.300 2.800 0.700 peak 491 spectrum 1 weight 0.10000E+01 volume 0.13422E-03 ppm1 0.840 ppm2 2.313 CV 1 OR { 491} ( segid "ENHF" and resid 22 and name HG2%) (( segid "ENHF" and resid 26 and name HG1 )) ASSI { 493} ( segid "ENHF" and resid 22 and name HG2%) (( segid "ENHF" and resid 27 and name HB2 )) 3.600 1.300 1.300 peak 493 spectrum 1 weight 0.10000E+01 volume 0.40578E-03 ppm1 0.843 ppm2 1.637 CV 1 OR { 493} ( segid "ENHF" and resid 22 and name HG2%) (( segid "ENHF" and resid 27 and name HG )) ASSI { 497} ( segid "ENHF" and resid 22 and name HD1%) ( segid "ENHF" and resid 15 and name HE% ) 3.000 0.900 0.900 peak 497 spectrum 1 weight 0.10000E+01 volume 0.15715E-02 ppm1 0.693 ppm2 6.654 CV 1 OR { 497} ( segid "ENHF" and resid 22 and name HD1%) (( segid "ENHF" and resid 15 and name HZ )) ASSI { 503} ( segid "ENHF" and resid 22 and name HD1%) (( segid "ENHF" and resid 26 and name HB1 )) 4.000 4.000 2.000 peak 503 spectrum 1 weight 0.10000E+01 volume 0.27785E-03 ppm1 0.691 ppm2 2.312 CV 1 OR { 503} ( segid "ENHF" and resid 22 and name HD1%) (( segid "ENHF" and resid 26 and name HG1 )) ASSI { 505} ( segid "ENHF" and resid 22 and name HD1%) (( segid "ENHF" and resid 27 and name HB2 )) 3.900 1.500 1.500 peak 505 spectrum 1 weight 0.10000E+01 volume 0.33990E-03 ppm1 0.691 ppm2 1.638 CV 1 OR { 505} ( segid "ENHF" and resid 22 and name HD1%) (( segid "ENHF" and resid 27 and name HG )) ASSI { 506} ( segid "ENHF" and resid 22 and name HD1%) (( segid "ENHF" and resid 22 and name HG11)) 2.700 0.700 0.700 peak 506 spectrum 1 weight 0.10000E+01 volume 0.26719E-02 ppm1 0.691 ppm2 1.520 CV 1 ASSI { 508} ( segid "ENHF" and resid 22 and name HD1%) ( segid "ENHF" and resid 16 and name HG2%) 4.600 2.100 1.400 peak 508 spectrum 1 weight 0.10000E+01 volume 0.23754E-03 ppm1 0.691 ppm2 1.072 CV 1 ASSI { 510} ( segid "ENHF" and resid 41 and name HD1%) (( segid "ENHF" and resid 28 and name HA )) 3.000 0.900 0.900 peak 510 spectrum 1 weight 0.10000E+01 volume 0.13653E-02 ppm1 0.513 ppm2 4.044 CV 1 ASSI { 513} ( segid "ENHF" and resid 41 and name HD1%) (( segid "ENHF" and resid 38 and name HG2 )) 3.900 1.500 1.500 peak 513 spectrum 1 weight 0.10000E+01 volume 0.38890E-03 ppm1 0.514 ppm2 2.334 CV 1 OR { 513} ( segid "ENHF" and resid 41 and name HD1%) (( segid "ENHF" and resid 38 and name HG1 )) ASSI { 517} ( segid "ENHF" and resid 41 and name HD1%) ( segid "ENHF" and resid 31 and name HB% ) 2.400 0.600 0.600 peak 517 spectrum 1 weight 0.10000E+01 volume 0.53166E-02 ppm1 0.514 ppm2 1.275 CV 1 ASSI { 518} ( segid "ENHF" and resid 41 and name HD1%) (( segid "ENHF" and resid 41 and name HG11)) 2.900 0.900 0.900 peak 518 spectrum 1 weight 0.10000E+01 volume 0.17185E-02 ppm1 0.511 ppm2 1.811 CV 1 OR { 518} ( segid "ENHF" and resid 41 and name HD1%) (( segid "ENHF" and resid 41 and name HB )) ASSI { 519} ( segid "ENHF" and resid 41 and name HD1%) (( segid "ENHF" and resid 41 and name HG12)) 2.400 0.600 0.600 peak 519 spectrum 1 weight 0.10000E+01 volume 0.60292E-02 ppm1 0.514 ppm2 1.713 CV 1 ASSI { 520} ( segid "ENHF" and resid 41 and name HD1%) (( segid "ENHF" and resid 36 and name HG )) 3.700 1.400 1.400 peak 520 spectrum 1 weight 0.10000E+01 volume 0.31069E-03 ppm1 0.512 ppm2 1.480 CV 1 ASSI { 521} ( segid "ENHF" and resid 41 and name HD1%) (( segid "ENHF" and resid 36 and name HB1 )) 3.700 1.400 1.400 peak 521 spectrum 1 weight 0.10000E+01 volume 0.63604E-03 ppm1 0.513 ppm2 1.412 CV 1 ASSI { 522} (( segid "ENHF" and resid 18 and name HD2 )) (( segid "ENHF" and resid 10 and name HG2 )) 4.100 1.700 1.700 peak 522 spectrum 1 weight 0.10000E+01 volume 0.15696E-03 ppm1 3.054 ppm2 2.393 CV 1 OR { 522} (( segid "ENHF" and resid 18 and name HD1 )) (( segid "ENHF" and resid 10 and name HG2 )) OR { 522} (( segid "ENHF" and resid 18 and name HD1 )) (( segid "ENHF" and resid 10 and name HG1 )) OR { 522} (( segid "ENHF" and resid 18 and name HD2 )) (( segid "ENHF" and resid 10 and name HG1 )) ASSI { 528} (( segid "ENHF" and resid 42 and name HD2 )) (( segid "ENHF" and resid 42 and name HA )) 5.600 3.100 0.400 peak 528 spectrum 1 weight 0.10000E+01 volume 0.97402E-04 ppm1 3.262 ppm2 4.009 CV 1 OR { 528} (( segid "ENHF" and resid 42 and name HD1 )) (( segid "ENHF" and resid 42 and name HA )) ASSI { 529} (( segid "ENHF" and resid 42 and name HD1 )) (( segid "ENHF" and resid 42 and name HG2 )) 2.500 0.600 0.600 peak 529 spectrum 1 weight 0.10000E+01 volume 0.49910E-02 ppm1 3.252 ppm2 1.614 CV 1 OR { 529} (( segid "ENHF" and resid 42 and name HD2 )) (( segid "ENHF" and resid 42 and name HG2 )) ASSI { 530} (( segid "ENHF" and resid 36 and name HB1 )) (( segid "ENHF" and resid 36 and name HA )) 3.300 1.100 1.100 peak 530 spectrum 1 weight 0.11000E+01 volume 0.60873E-03 ppm1 1.423 ppm2 4.419 CV 1 ASSI { 531} (( segid "ENHF" and resid 36 and name HB2 )) (( segid "ENHF" and resid 36 and name HA )) 3.800 1.500 1.500 peak 531 spectrum 1 weight 0.11000E+01 volume 0.52098E-03 ppm1 1.253 ppm2 4.424 CV 1 ASSI { 532} (( segid "ENHF" and resid 36 and name HB1 )) (( segid "ENHF" and resid 41 and name HG12)) 3.900 1.600 1.600 peak 532 spectrum 1 weight 0.11000E+01 volume 0.33101E-03 ppm1 1.418 ppm2 1.725 CV 1 ASSI { 533} (( segid "ENHF" and resid 36 and name HB2 )) (( segid "ENHF" and resid 41 and name HG12)) 5.400 2.900 0.600 peak 533 spectrum 1 weight 0.10000E+01 volume 0.61744E-04 ppm1 1.248 ppm2 1.701 CV 1 ASSI { 536} (( segid "ENHF" and resid 34 and name HB1 )) ( segid "ENHF" and resid 8 and name HG1%) 4.500 2.000 1.500 peak 536 spectrum 1 weight 0.10000E+01 volume 0.17737E-03 ppm1 1.484 ppm2 0.635 CV 1 ASSI { 538} (( segid "ENHF" and resid 11 and name HE1 )) ( segid "ENHF" and resid 34 and name HD2%) 4.300 1.800 1.700 peak 538 spectrum 1 weight 0.10000E+01 volume 0.22262E-03 ppm1 2.926 ppm2 0.540 CV 1 OR { 538} (( segid "ENHF" and resid 11 and name HE2 )) ( segid "ENHF" and resid 34 and name HD2%) ASSI { 541} (( segid "ENHF" and resid 27 and name HB2 )) ( segid "ENHF" and resid 22 and name HD1%) 5.600 3.100 0.400 peak 541 spectrum 1 weight 0.10000E+01 volume 0.40068E-04 ppm1 1.652 ppm2 0.671 CV 1 ASSI { 542} (( segid "ENHF" and resid 12 and name HB1 )) ( segid "ENHF" and resid 44 and name HE% ) 4.900 2.400 1.100 peak 542 spectrum 1 weight 0.10000E+01 volume 0.75120E-04 ppm1 1.410 ppm2 6.810 CV 1 OR { 542} (( segid "ENHF" and resid 12 and name HB1 )) (( segid "ENHF" and resid 44 and name HZ )) ASSI { 543} (( segid "ENHF" and resid 12 and name HB2 )) ( segid "ENHF" and resid 44 and name HE% ) 6.000 5.000 0.000 peak 543 spectrum 1 weight 0.10000E+01 volume 0.22579E-04 ppm1 1.005 ppm2 6.805 CV 1 OR { 543} (( segid "ENHF" and resid 12 and name HB2 )) (( segid "ENHF" and resid 44 and name HZ )) ASSI { 544} (( segid "ENHF" and resid 12 and name HB1 )) ( segid "ENHF" and resid 8 and name HG1%) 5.800 3.400 0.200 peak 544 spectrum 1 weight 0.10000E+01 volume 0.78729E-04 ppm1 1.403 ppm2 0.688 CV 1 ASSI { 545} (( segid "ENHF" and resid 12 and name HB2 )) ( segid "ENHF" and resid 8 and name HG1%) 4.800 2.300 1.200 peak 545 spectrum 1 weight 0.10000E+01 volume 0.66458E-04 ppm1 0.998 ppm2 0.658 CV 1 ASSI { 546} (( segid "ENHF" and resid 12 and name HB1 )) (( segid "ENHF" and resid 9 and name HG1 )) 5.900 3.500 0.100 peak 546 spectrum 1 weight 0.10000E+01 volume 0.22679E-04 ppm1 1.401 ppm2 2.279 CV 1 OR { 546} (( segid "ENHF" and resid 12 and name HB1 )) (( segid "ENHF" and resid 9 and name HB2 )) OR { 546} (( segid "ENHF" and resid 12 and name HB1 )) (( segid "ENHF" and resid 9 and name HG2 )) ASSI { 547} (( segid "ENHF" and resid 22 and name HB )) (( segid "ENHF" and resid 19 and name HB1 )) 5.100 2.600 0.900 peak 547 spectrum 1 weight 0.10000E+01 volume 0.45546E-04 ppm1 1.885 ppm2 2.966 CV 1 ASSI { 549} (( segid "ENHF" and resid 48 and name HB1 )) (( segid "ENHF" and resid 51 and name HD2 )) 3.500 3.500 2.500 peak 549 spectrum 1 weight 0.10000E+01 volume 0.75652E-03 ppm1 2.899 ppm2 3.060 CV 1 OR { 549} (( segid "ENHF" and resid 48 and name HB1 )) (( segid "ENHF" and resid 51 and name HD1 )) ASSI { 550} (( segid "ENHF" and resid 15 and name HB1 )) ( segid "ENHF" and resid 30 and name HE% ) 5.200 5.200 0.800 peak 550 spectrum 1 weight 0.11000E+01 volume 0.67774E-04 ppm1 3.102 ppm2 6.347 CV 1 ASSI { 552} (( segid "ENHF" and resid 15 and name HB1 )) (( segid "ENHF" and resid 12 and name HA )) 3.300 1.100 1.100 peak 552 spectrum 1 weight 0.10000E+01 volume 0.90527E-03 ppm1 3.104 ppm2 4.012 CV 1 OR { 552} (( segid "ENHF" and resid 15 and name HB2 )) (( segid "ENHF" and resid 12 and name HA )) ASSI { 554} (( segid "ENHF" and resid 45 and name HB1 )) (( segid "ENHF" and resid 42 and name HA )) 4.800 2.300 1.200 peak 554 spectrum 1 weight 0.10000E+01 volume 0.31482E-03 ppm1 3.283 ppm2 4.015 CV 1 ASSI { 555} (( segid "ENHF" and resid 44 and name HB1 )) ( segid "ENHF" and resid 41 and name HG2%) 6.000 3.800 0.000 peak 555 spectrum 1 weight 0.10000E+01 volume 0.22817E-04 ppm1 3.000 ppm2 0.608 CV 1 ASSI { 558} (( segid "ENHF" and resid 44 and name HB2 )) ( segid "ENHF" and resid 44 and name HD% ) 3.500 1.200 1.200 peak 558 spectrum 1 weight 0.11000E+01 volume 0.68383E-03 ppm1 2.847 ppm2 6.569 CV 1 ASSI { 560} (( segid "ENHF" and resid 44 and name HB1 )) (( segid "ENHF" and resid 44 and name HA )) 3.700 1.300 1.300 peak 560 spectrum 1 weight 0.10000E+01 volume 0.60395E-03 ppm1 2.983 ppm2 4.094 CV 1 ASSI { 567} (( segid "ENHF" and resid 7 and name HB2 )) (( segid "ENHF" and resid 5 and name HB1 )) 5.400 2.900 0.600 peak 567 spectrum 1 weight 0.10000E+01 volume 0.56629E-04 ppm1 2.743 ppm2 4.150 CV 1 ASSI { 569} (( segid "ENHF" and resid 30 and name HB1 )) ( segid "ENHF" and resid 15 and name HE% ) 5.500 3.000 0.500 peak 569 spectrum 1 weight 0.10000E+01 volume 0.45960E-04 ppm1 2.732 ppm2 6.656 CV 1 OR { 569} (( segid "ENHF" and resid 30 and name HB1 )) ( segid "ENHF" and resid 15 and name HD% ) ASSI { 577} (( segid "ENHF" and resid 39 and name HG2 )) (( segid "ENHF" and resid 4 and name HD1 )) 6.000 3.500 0.000 peak 577 spectrum 1 weight 0.10000E+01 volume 0.38990E-04 ppm1 2.302 ppm2 7.276 CV 1 OR { 577} (( segid "ENHF" and resid 39 and name HG1 )) (( segid "ENHF" and resid 4 and name HD1 )) ASSI { 578} (( segid "ENHF" and resid 14 and name HG1 )) (( segid "ENHF" and resid 44 and name HZ )) 4.800 2.300 1.200 peak 578 spectrum 1 weight 0.10000E+01 volume 0.17926E-03 ppm1 2.303 ppm2 6.812 CV 1 OR { 578} (( segid "ENHF" and resid 14 and name HG1 )) ( segid "ENHF" and resid 44 and name HE% ) OR { 578} (( segid "ENHF" and resid 14 and name HG2 )) (( segid "ENHF" and resid 44 and name HZ )) ASSI { 590} (( segid "ENHF" and resid 3 and name HG1 )) (( segid "ENHF" and resid 3 and name HA )) 3.300 1.100 1.100 peak 590 spectrum 1 weight 0.10000E+01 volume 0.97790E-03 ppm1 2.228 ppm2 4.200 CV 1 OR { 590} (( segid "ENHF" and resid 3 and name HG2 )) (( segid "ENHF" and resid 3 and name HA )) ASSI { 591} (( segid "ENHF" and resid 24 and name HG1 )) (( segid "ENHF" and resid 24 and name HA )) 3.000 0.900 0.900 peak 591 spectrum 1 weight 0.10000E+01 volume 0.16637E-02 ppm1 2.229 ppm2 3.836 CV 1 OR { 591} (( segid "ENHF" and resid 24 and name HG2 )) (( segid "ENHF" and resid 24 and name HA )) ASSI { 593} (( segid "ENHF" and resid 24 and name HG1 )) ( segid "ENHF" and resid 27 and name HD2%) 6.000 3.800 0.000 peak 593 spectrum 1 weight 0.10000E+01 volume 0.25838E-04 ppm1 2.232 ppm2 0.873 CV 1 OR { 593} (( segid "ENHF" and resid 24 and name HG2 )) ( segid "ENHF" and resid 27 and name HD2%) ASSI { 594} (( segid "ENHF" and resid 43 and name HG1 )) (( segid "ENHF" and resid 43 and name HB2 )) 2.600 0.700 0.700 peak 594 spectrum 1 weight 0.10000E+01 volume 0.34477E-02 ppm1 2.565 ppm2 2.276 CV 1 OR { 594} (( segid "ENHF" and resid 43 and name HG1 )) (( segid "ENHF" and resid 43 and name HB1 )) ASSI { 597} (( segid "ENHF" and resid 52 and name HB2 )) (( segid "ENHF" and resid 52 and name HA )) 4.700 2.200 1.300 peak 597 spectrum 1 weight 0.10000E+01 volume 0.12685E-03 ppm1 1.657 ppm2 4.085 CV 1 ASSI { 599} (( segid "ENHF" and resid 2 and name HB1 )) (( segid "ENHF" and resid 2 and name HA )) 5.100 2.600 0.900 peak 599 spectrum 1 weight 0.10000E+01 volume 0.64114E-04 ppm1 1.485 ppm2 4.110 CV 1 ASSI { 603} (( segid "ENHF" and resid 50 and name HG1 )) (( segid "ENHF" and resid 50 and name HB2 )) 2.700 0.700 0.700 peak 603 spectrum 1 weight 0.10000E+01 volume 0.26707E-02 ppm1 2.386 ppm2 1.998 CV 1 OR { 603} (( segid "ENHF" and resid 50 and name HG2 )) (( segid "ENHF" and resid 50 and name HB2 )) ASSI { 605} (( segid "ENHF" and resid 50 and name HG2 )) (( segid "ENHF" and resid 50 and name HB1 )) 2.300 0.500 0.500 peak 605 spectrum 1 weight 0.10000E+01 volume 0.89775E-02 ppm1 2.389 ppm2 2.110 CV 1 OR { 605} (( segid "ENHF" and resid 50 and name HG1 )) (( segid "ENHF" and resid 50 and name HB1 )) ASSI { 607} (( segid "ENHF" and resid 50 and name HG2 )) (( segid "ENHF" and resid 49 and name HG2 )) 2.200 0.500 0.500 peak 607 spectrum 1 weight 0.10000E+01 volume 0.11372E-01 ppm1 2.341 ppm2 2.217 CV 1 OR { 607} (( segid "ENHF" and resid 50 and name HG1 )) (( segid "ENHF" and resid 49 and name HG1 )) OR { 607} (( segid "ENHF" and resid 50 and name HG2 )) (( segid "ENHF" and resid 49 and name HG1 )) ASSI { 614} (( segid "ENHF" and resid 11 and name HB1 )) ( segid "ENHF" and resid 8 and name HG1%) 4.900 2.400 1.100 peak 614 spectrum 1 weight 0.10000E+01 volume 0.98681E-04 ppm1 1.936 ppm2 0.629 CV 1 OR { 614} (( segid "ENHF" and resid 11 and name HB2 )) ( segid "ENHF" and resid 8 and name HG1%) ASSI { 620} (( segid "ENHF" and resid 16 and name HB )) ( segid "ENHF" and resid 48 and name HE% ) 6.000 6.000 0.000 peak 620 spectrum 1 weight 0.11000E+01 volume 0.74720E-05 ppm1 2.140 ppm2 7.245 CV 1 ASSI { 621} (( segid "ENHF" and resid 8 and name HB )) (( segid "ENHF" and resid 4 and name HD1 )) 6.000 4.400 0.000 peak 621 spectrum 1 weight 0.11000E+01 volume 0.22767E-04 ppm1 2.091 ppm2 7.273 CV 1 ASSI { 623} (( segid "ENHF" and resid 18 and name HB2 )) (( segid "ENHF" and resid 18 and name HD1 )) 3.400 1.200 1.200 peak 623 spectrum 1 weight 0.10000E+01 volume 0.71629E-03 ppm1 1.521 ppm2 3.051 CV 1 OR { 623} (( segid "ENHF" and resid 18 and name HB2 )) (( segid "ENHF" and resid 18 and name HD2 )) ASSI { 628} (( segid "ENHF" and resid 4 and name HB1 )) (( segid "ENHF" and resid 3 and name HB1 )) 5.900 3.500 0.100 peak 628 spectrum 1 weight 0.10000E+01 volume 0.34351E-04 ppm1 3.379 ppm2 2.094 CV 1 ASSI { 629} (( segid "ENHF" and resid 4 and name HB1 )) ( segid "ENHF" and resid 36 and name HD1%) 6.000 3.600 0.000 peak 629 spectrum 1 weight 0.10000E+01 volume 0.23695E-04 ppm1 3.378 ppm2 0.514 CV 1 ASSI { 630} (( segid "ENHF" and resid 26 and name HB1 )) (( segid "ENHF" and resid 22 and name HG12)) 5.600 3.200 0.400 peak 630 spectrum 1 weight 0.10000E+01 volume 0.39641E-04 ppm1 2.319 ppm2 1.243 CV 1 ASSI { 633} (( segid "ENHF" and resid 49 and name HB2 )) (( segid "ENHF" and resid 49 and name HG1 )) 3.800 1.400 1.400 peak 633 spectrum 1 weight 0.10000E+01 volume 0.40964E-03 ppm1 1.935 ppm2 2.196 CV 1 OR { 633} (( segid "ENHF" and resid 49 and name HB2 )) (( segid "ENHF" and resid 49 and name HG2 )) ASSI { 634} (( segid "ENHF" and resid 3 and name HB2 )) (( segid "ENHF" and resid 4 and name HE3 )) 5.400 3.000 0.600 peak 634 spectrum 1 weight 0.10000E+01 volume 0.57795E-04 ppm1 1.758 ppm2 7.436 CV 1 OR { 634} (( segid "ENHF" and resid 3 and name HB2 )) (( segid "ENHF" and resid 4 and name HZ2 )) ASSI { 635} (( segid "ENHF" and resid 13 and name HD1 )) (( segid "ENHF" and resid 13 and name HG2 )) 2.400 0.600 0.600 peak 635 spectrum 1 weight 0.10000E+01 volume 0.70764E-02 ppm1 1.715 ppm2 1.341 CV 1 OR { 635} (( segid "ENHF" and resid 13 and name HD2 )) (( segid "ENHF" and resid 13 and name HG2 )) ASSI { 637} (( segid "ENHF" and resid 11 and name HD1 )) (( segid "ENHF" and resid 11 and name HB2 )) 3.500 1.200 1.200 peak 637 spectrum 1 weight 0.10000E+01 volume 0.70156E-03 ppm1 1.558 ppm2 1.937 CV 1 OR { 637} (( segid "ENHF" and resid 11 and name HD1 )) (( segid "ENHF" and resid 11 and name HB1 )) OR { 637} (( segid "ENHF" and resid 11 and name HD2 )) (( segid "ENHF" and resid 11 and name HB2 )) OR { 637} (( segid "ENHF" and resid 11 and name HD2 )) (( segid "ENHF" and resid 11 and name HB1 )) ASSI { 639} (( segid "ENHF" and resid 41 and name HG12)) (( segid "ENHF" and resid 38 and name HA )) 5.700 3.300 0.300 peak 639 spectrum 1 weight 0.10000E+01 volume 0.61217E-04 ppm1 1.713 ppm2 3.867 CV 1 ASSI { 641} (( segid "ENHF" and resid 13 and name HD2 )) (( segid "ENHF" and resid 13 and name HE2 )) 2.900 0.800 0.800 peak 641 spectrum 1 weight 0.10000E+01 volume 0.21123E-02 ppm1 1.728 ppm2 2.890 CV 1 OR { 641} (( segid "ENHF" and resid 13 and name HD1 )) (( segid "ENHF" and resid 13 and name HE1 )) OR { 641} (( segid "ENHF" and resid 13 and name HD1 )) (( segid "ENHF" and resid 13 and name HE2 )) OR { 641} (( segid "ENHF" and resid 13 and name HD2 )) (( segid "ENHF" and resid 13 and name HE1 )) ASSI { 642} (( segid "ENHF" and resid 46 and name HB1 )) (( segid "ENHF" and resid 46 and name HA )) 2.700 0.700 0.700 peak 642 spectrum 1 weight 0.10000E+01 volume 0.38714E-02 ppm1 2.195 ppm2 4.076 CV 1 ASSI { 645} (( segid "ENHF" and resid 32 and name HB2 )) (( segid "ENHF" and resid 32 and name HA )) 2.400 0.600 0.600 peak 645 spectrum 1 weight 0.10000E+01 volume 0.66803E-02 ppm1 2.005 ppm2 4.032 CV 1 OR { 645} (( segid "ENHF" and resid 32 and name HB1 )) (( segid "ENHF" and resid 32 and name HA )) ASSI { 649} (( segid "ENHF" and resid 43 and name HB2 )) (( segid "ENHF" and resid 40 and name HA )) 4.500 2.000 1.500 peak 649 spectrum 1 weight 0.11000E+01 volume 0.26213E-03 ppm1 2.218 ppm2 4.231 CV 1 ASSI { 652} (( segid "ENHF" and resid 43 and name HB1 )) (( segid "ENHF" and resid 43 and name HG2 )) 3.000 0.900 0.900 peak 652 spectrum 1 weight 0.10000E+01 volume 0.15623E-02 ppm1 2.266 ppm2 2.398 CV 1 OR { 652} (( segid "ENHF" and resid 43 and name HB2 )) (( segid "ENHF" and resid 43 and name HG2 )) ASSI { 655} (( segid "ENHF" and resid 22 and name HG12)) (( segid "ENHF" and resid 26 and name HB1 )) 5.300 2.800 0.700 peak 655 spectrum 1 weight 0.10000E+01 volume 0.61243E-04 ppm1 1.226 ppm2 2.313 CV 1 OR { 655} (( segid "ENHF" and resid 22 and name HG12)) (( segid "ENHF" and resid 26 and name HG1 )) ASSI { 660} (( segid "ENHF" and resid 13 and name HG1 )) (( segid "ENHF" and resid 44 and name HZ )) 4.900 2.400 1.100 peak 660 spectrum 1 weight 0.10000E+01 volume 0.89767E-04 ppm1 1.727 ppm2 6.794 CV 1 OR { 660} (( segid "ENHF" and resid 13 and name HG1 )) ( segid "ENHF" and resid 44 and name HE% ) ASSI { 661} (( segid "ENHF" and resid 13 and name HG1 )) (( segid "ENHF" and resid 13 and name HE1 )) 5.000 2.500 1.000 peak 661 spectrum 1 weight 0.10000E+01 volume 0.13124E-03 ppm1 1.726 ppm2 2.890 CV 1 OR { 661} (( segid "ENHF" and resid 13 and name HG1 )) (( segid "ENHF" and resid 13 and name HE2 )) ASSI { 662} (( segid "ENHF" and resid 13 and name HG1 )) (( segid "ENHF" and resid 14 and name HG1 )) 6.000 3.700 0.000 peak 662 spectrum 1 weight 0.10000E+01 volume 0.52580E-04 ppm1 1.722 ppm2 2.300 CV 1 OR { 662} (( segid "ENHF" and resid 13 and name HG1 )) (( segid "ENHF" and resid 14 and name HG2 )) ASSI { 664} (( segid "ENHF" and resid 34 and name HG )) ( segid "ENHF" and resid 34 and name HD1%) 2.100 0.500 0.500 peak 664 spectrum 1 weight 0.11000E+01 volume 0.11081E-01 ppm1 1.214 ppm2 0.396 CV 1 ASSI { 665} ( segid "ENHF" and resid 34 and name HD1%) ( segid "ENHF" and resid 30 and name HD% ) 6.000 4.500 0.000 peak 665 spectrum 1 weight 0.10000E+01 volume 0.12462E-04 ppm1 0.394 ppm2 6.451 CV 1 ASSI { 669} (( segid "ENHF" and resid 17 and name HG1 )) (( segid "ENHF" and resid 17 and name HE2 )) 4.800 2.300 1.200 peak 669 spectrum 1 weight 0.10000E+01 volume 0.91504E-04 ppm1 1.573 ppm2 2.917 CV 1 OR { 669} (( segid "ENHF" and resid 17 and name HG1 )) (( segid "ENHF" and resid 17 and name HE1 )) ASSI { 671} (( segid "ENHF" and resid 17 and name HG2 )) (( segid "ENHF" and resid 17 and name HB2 )) 2.600 0.700 0.700 peak 671 spectrum 1 weight 0.10000E+01 volume 0.30910E-02 ppm1 1.429 ppm2 1.894 CV 1 OR { 671} (( segid "ENHF" and resid 17 and name HG2 )) (( segid "ENHF" and resid 17 and name HB1 )) ASSI { 672} (( segid "ENHF" and resid 17 and name HG1 )) (( segid "ENHF" and resid 17 and name HB2 )) 2.800 0.800 0.800 peak 672 spectrum 1 weight 0.10000E+01 volume 0.26809E-02 ppm1 1.565 ppm2 1.897 CV 1 OR { 672} (( segid "ENHF" and resid 17 and name HG1 )) (( segid "ENHF" and resid 17 and name HB1 )) ASSI { 673} (( segid "ENHF" and resid 11 and name HG1 )) (( segid "ENHF" and resid 11 and name HB2 )) 2.600 0.700 0.700 peak 673 spectrum 1 weight 0.11000E+01 volume 0.28312E-02 ppm1 1.627 ppm2 1.933 CV 1 ASSI { 678} ( segid "ENHF" and resid 36 and name HD1%) (( segid "ENHF" and resid 36 and name HG )) 2.400 0.600 0.600 peak 678 spectrum 1 weight 0.10000E+01 volume 0.44171E-02 ppm1 0.515 ppm2 1.440 CV 1 OR { 678} ( segid "ENHF" and resid 36 and name HD1%) (( segid "ENHF" and resid 36 and name HB1 )) ASSI { 680} ( segid "ENHF" and resid 36 and name HD1%) ( segid "ENHF" and resid 8 and name HG2%) 6.000 4.200 0.000 peak 680 spectrum 1 weight 0.10000E+01 volume 0.37661E-04 ppm1 0.516 ppm2 0.949 CV 1 ASSI { 682} ( segid "ENHF" and resid 27 and name HD1%) ( segid "ENHF" and resid 45 and name HE% ) 5.800 3.300 0.200 peak 682 spectrum 1 weight 0.10000E+01 volume 0.33047E-04 ppm1 0.795 ppm2 7.192 CV 1 ASSI { 683} ( segid "ENHF" and resid 27 and name HD1%) ( segid "ENHF" and resid 44 and name HE% ) 5.900 3.500 0.100 peak 683 spectrum 1 weight 0.10000E+01 volume 0.33574E-04 ppm1 0.796 ppm2 6.812 CV 1 ASSI { 684} ( segid "ENHF" and resid 27 and name HD1%) (( segid "ENHF" and resid 24 and name HA )) 5.800 3.400 0.200 peak 684 spectrum 1 weight 0.10000E+01 volume 0.40920E-04 ppm1 0.794 ppm2 3.837 CV 1 ASSI { 687} ( segid "ENHF" and resid 27 and name HD1%) (( segid "ENHF" and resid 24 and name HB2 )) 5.700 3.200 0.300 peak 687 spectrum 1 weight 0.10000E+01 volume 0.42726E-04 ppm1 0.791 ppm2 1.991 CV 1 OR { 687} ( segid "ENHF" and resid 27 and name HD1%) (( segid "ENHF" and resid 24 and name HB1 )) ASSI { 688} ( segid "ENHF" and resid 27 and name HD1%) ( segid "ENHF" and resid 12 and name HD2%) 4.800 2.300 1.200 peak 688 spectrum 1 weight 0.10000E+01 volume 0.10606E-03 ppm1 0.792 ppm2 -0.012 CV 1 ASSI { 689} (( segid "ENHF" and resid 52 and name HG2 )) (( segid "ENHF" and resid 52 and name HA )) 5.100 2.600 0.900 peak 689 spectrum 1 weight 0.10000E+01 volume 0.96681E-04 ppm1 1.336 ppm2 4.089 CV 1 OR { 689} (( segid "ENHF" and resid 52 and name HG1 )) (( segid "ENHF" and resid 52 and name HA )) ASSI { 691} ( segid "ENHF" and resid 12 and name HD2%) (( segid "ENHF" and resid 12 and name HG )) 5.600 5.600 0.400 peak 691 spectrum 1 weight 0.10000E+01 volume 0.36896E-04 ppm1 -0.043 ppm2 1.273 CV 1 ASSI { 693} ( segid "ENHF" and resid 12 and name HD2%) ( segid "ENHF" and resid 27 and name HD2%) 5.000 2.500 1.000 peak 693 spectrum 1 weight 0.10000E+01 volume 0.81504E-04 ppm1 -0.042 ppm2 0.852 CV 1 ASSI { 694} ( segid "ENHF" and resid 12 and name HD2%) ( segid "ENHF" and resid 34 and name HD1%) 5.700 3.300 0.300 peak 694 spectrum 1 weight 0.10000E+01 volume 0.63474E-04 ppm1 -0.038 ppm2 0.384 CV 1 ASSI { 695} ( segid "ENHF" and resid 12 and name HD2%) ( segid "ENHF" and resid 44 and name HD% ) 5.900 3.500 0.100 peak 695 spectrum 1 weight 0.11000E+01 volume 0.26791E-04 ppm1 -0.041 ppm2 6.581 CV 1 ASSI { 696} ( segid "ENHF" and resid 27 and name HD2%) (( segid "ENHF" and resid 30 and name HB2 )) 6.000 4.700 0.000 peak 696 spectrum 1 weight 0.10000E+01 volume 0.26478E-04 ppm1 0.866 ppm2 2.430 CV 1 ASSI { 697} ( segid "ENHF" and resid 27 and name HD2%) (( segid "ENHF" and resid 24 and name HB2 )) 5.800 3.400 0.200 peak 697 spectrum 1 weight 0.10000E+01 volume 0.38676E-04 ppm1 0.866 ppm2 1.996 CV 1 OR { 697} ( segid "ENHF" and resid 27 and name HD2%) (( segid "ENHF" and resid 24 and name HB1 )) ASSI { 702} ( segid "ENHF" and resid 27 and name HD2%) ( segid "ENHF" and resid 15 and name HD% ) 3.700 3.700 2.300 peak 702 spectrum 1 weight 0.11000E+01 volume 0.52812E-03 ppm1 0.865 ppm2 6.654 CV 1 OR { 702} ( segid "ENHF" and resid 27 and name HD2%) ( segid "ENHF" and resid 15 and name HE% ) ASSI { 703} ( segid "ENHF" and resid 27 and name HD2%) ( segid "ENHF" and resid 45 and name HD% ) 6.000 6.000 0.000 peak 703 spectrum 1 weight 0.11000E+01 volume 0.23983E-04 ppm1 0.864 ppm2 7.365 CV 1 ASSI { 704} ( segid "ENHF" and resid 27 and name HD2%) ( segid "ENHF" and resid 45 and name HE% ) 5.200 2.700 0.800 peak 704 spectrum 1 weight 0.11000E+01 volume 0.55413E-04 ppm1 0.863 ppm2 7.165 CV 1 ASSI { 706} ( segid "ENHF" and resid 12 and name HD1%) ( segid "ENHF" and resid 15 and name HD% ) 5.900 3.400 0.100 peak 706 spectrum 1 weight 0.10000E+01 volume 0.28534E-04 ppm1 0.246 ppm2 6.661 CV 1 ASSI { 707} ( segid "ENHF" and resid 12 and name HD1%) ( segid "ENHF" and resid 44 and name HD% ) 5.100 5.100 0.900 peak 707 spectrum 1 weight 0.11000E+01 volume 0.10062E-03 ppm1 0.252 ppm2 6.568 CV 1 ASSI { 709} ( segid "ENHF" and resid 8 and name HG2%) ( segid "ENHF" and resid 34 and name HD1%) 3.600 1.300 1.300 peak 709 spectrum 1 weight 0.11000E+01 volume 0.66390E-03 ppm1 0.956 ppm2 0.401 CV 1 ASSI { 710} ( segid "ENHF" and resid 8 and name HG2%) (( segid "ENHF" and resid 34 and name HB2 )) 5.400 2.900 0.600 peak 710 spectrum 1 weight 0.10000E+01 volume 0.11666E-03 ppm1 0.955 ppm2 1.393 CV 1 ASSI { 711} ( segid "ENHF" and resid 8 and name HG2%) (( segid "ENHF" and resid 8 and name HB )) 2.400 0.600 0.600 peak 711 spectrum 1 weight 0.10000E+01 volume 0.48638E-02 ppm1 0.956 ppm2 2.103 CV 1 ASSI { 712} ( segid "ENHF" and resid 8 and name HG2%) (( segid "ENHF" and resid 8 and name HA )) 2.600 0.700 0.700 peak 712 spectrum 1 weight 0.10000E+01 volume 0.35309E-02 ppm1 0.956 ppm2 3.518 CV 1 ASSI { 713} ( segid "ENHF" and resid 8 and name HG2%) (( segid "ENHF" and resid 4 and name HB1 )) 6.000 4.100 0.000 peak 713 spectrum 1 weight 0.10000E+01 volume 0.75058E-04 ppm1 0.960 ppm2 3.387 CV 1 ASSI { 714} ( segid "ENHF" and resid 16 and name HG2%) (( segid "ENHF" and resid 45 and name HZ )) 5.600 3.100 0.400 peak 714 spectrum 1 weight 0.10000E+01 volume 0.41547E-04 ppm1 1.051 ppm2 7.049 CV 1 ASSI { 715} ( segid "ENHF" and resid 16 and name HG2%) ( segid "ENHF" and resid 15 and name HD% ) 4.100 1.700 1.700 peak 715 spectrum 1 weight 0.11000E+01 volume 0.28060E-03 ppm1 1.051 ppm2 6.643 CV 1 ASSI { 717} ( segid "ENHF" and resid 16 and name HG2%) (( segid "ENHF" and resid 13 and name HA )) 3.300 1.100 1.100 peak 717 spectrum 1 weight 0.10000E+01 volume 0.10870E-02 ppm1 1.055 ppm2 3.876 CV 1 ASSI { 718} ( segid "ENHF" and resid 16 and name HG2%) ( segid "ENHF" and resid 12 and name HD2%) 4.800 2.300 1.200 peak 718 spectrum 1 weight 0.11000E+01 volume 0.16273E-03 ppm1 1.054 ppm2 -0.043 CV 1 ASSI { 723} ( segid "ENHF" and resid 8 and name HG1%) (( segid "ENHF" and resid 4 and name HE3 )) 6.000 3.800 0.000 peak 723 spectrum 1 weight 0.10000E+01 volume 0.24785E-04 ppm1 0.640 ppm2 7.435 CV 1 ASSI { 724} ( segid "ENHF" and resid 8 and name HG1%) (( segid "ENHF" and resid 4 and name HD1 )) 6.000 6.000 0.000 peak 724 spectrum 1 weight 0.11000E+01 volume 0.31054E-04 ppm1 0.647 ppm2 7.271 CV 1 ASSI { 725} ( segid "ENHF" and resid 16 and name HG1%) ( segid "ENHF" and resid 12 and name HD1%) 5.800 5.800 0.200 peak 725 spectrum 1 weight 0.11000E+01 volume 0.58158E-04 ppm1 0.914 ppm2 0.271 CV 1 ASSI { 727} ( segid "ENHF" and resid 16 and name HG1%) ( segid "ENHF" and resid 48 and name HD% ) 5.200 2.700 0.800 peak 727 spectrum 1 weight 0.10000E+01 volume 0.70231E-04 ppm1 0.924 ppm2 7.029 CV 1 ASSI { 728} ( segid "ENHF" and resid 16 and name HG1%) ( segid "ENHF" and resid 44 and name HE% ) 6.000 4.100 0.000 peak 728 spectrum 1 weight 0.10000E+01 volume 0.17840E-04 ppm1 0.923 ppm2 6.791 CV 1 ASSI { 729} ( segid "ENHF" and resid 16 and name HG1%) ( segid "ENHF" and resid 15 and name HD% ) 6.000 4.000 0.000 peak 729 spectrum 1 weight 0.10000E+01 volume 0.30991E-04 ppm1 0.920 ppm2 6.640 CV 1 OR { 729} ( segid "ENHF" and resid 16 and name HG1%) ( segid "ENHF" and resid 15 and name HE% ) ASSI { 731} ( segid "ENHF" and resid 23 and name HG2%) (( segid "ENHF" and resid 26 and name HB1 )) 5.900 3.500 0.100 peak 731 spectrum 1 weight 0.10000E+01 volume 0.47314E-04 ppm1 1.319 ppm2 2.329 CV 1 OR { 731} ( segid "ENHF" and resid 23 and name HG2%) (( segid "ENHF" and resid 26 and name HG1 )) OR { 731} ( segid "ENHF" and resid 23 and name HG2%) (( segid "ENHF" and resid 26 and name HG2 )) ASSI { 734} (( segid "ENHF" and resid 23 and name HB )) (( segid "ENHF" and resid 22 and name HA )) 6.000 3.500 0.000 peak 734 spectrum 1 weight 0.10000E+01 volume 0.72125E-04 ppm1 4.714 ppm2 4.383 CV 1 ASSI { 742} (( segid "ENHF" and resid 8 and name HA )) (( segid "ENHF" and resid 34 and name HG )) 6.000 5.900 0.000 peak 742 spectrum 1 weight 0.10000E+01 volume 0.16436E-04 ppm1 3.515 ppm2 1.174 CV 1 ASSI { 744} (( segid "ENHF" and resid 8 and name HA )) (( segid "ENHF" and resid 11 and name HG1 )) 3.700 1.400 1.400 peak 744 spectrum 1 weight 0.10000E+01 volume 0.66591E-03 ppm1 3.517 ppm2 1.589 CV 1 OR { 744} (( segid "ENHF" and resid 8 and name HA )) (( segid "ENHF" and resid 11 and name HD1 )) OR { 744} (( segid "ENHF" and resid 8 and name HA )) (( segid "ENHF" and resid 11 and name HD2 )) ASSI { 745} (( segid "ENHF" and resid 8 and name HA )) (( segid "ENHF" and resid 11 and name HB2 )) 2.900 2.900 3.100 peak 745 spectrum 1 weight 0.11000E+01 volume 0.29668E-02 ppm1 3.516 ppm2 1.942 CV 1 ASSI { 747} (( segid "ENHF" and resid 16 and name HA )) ( segid "ENHF" and resid 22 and name HD1%) 4.300 1.900 1.700 peak 747 spectrum 1 weight 0.10000E+01 volume 0.57039E-03 ppm1 3.573 ppm2 0.692 CV 1 ASSI { 748} (( segid "ENHF" and resid 16 and name HA )) ( segid "ENHF" and resid 22 and name HG2%) 4.100 1.700 1.700 peak 748 spectrum 1 weight 0.10000E+01 volume 0.24520E-03 ppm1 3.573 ppm2 0.832 CV 1 ASSI { 749} (( segid "ENHF" and resid 16 and name HA )) ( segid "ENHF" and resid 16 and name HG2%) 2.600 0.700 0.700 peak 749 spectrum 1 weight 0.10000E+01 volume 0.41039E-02 ppm1 3.572 ppm2 1.052 CV 1 ASSI { 750} (( segid "ENHF" and resid 16 and name HA )) (( segid "ENHF" and resid 16 and name HB )) 2.900 0.800 0.800 peak 750 spectrum 1 weight 0.10000E+01 volume 0.22513E-02 ppm1 3.572 ppm2 2.141 CV 1 ASSI { 751} (( segid "ENHF" and resid 16 and name HA )) ( segid "ENHF" and resid 16 and name HG1%) 2.600 0.700 0.700 peak 751 spectrum 1 weight 0.11000E+01 volume 0.39101E-02 ppm1 3.572 ppm2 0.922 CV 1 ASSI { 752} (( segid "ENHF" and resid 16 and name HA )) (( segid "ENHF" and resid 19 and name HB2 )) 5.100 2.600 0.900 peak 752 spectrum 1 weight 0.11000E+01 volume 0.63136E-04 ppm1 3.570 ppm2 2.532 CV 1 ASSI { 754} (( segid "ENHF" and resid 16 and name HA )) ( segid "ENHF" and resid 15 and name HD% ) 4.200 1.800 1.800 peak 754 spectrum 1 weight 0.10000E+01 volume 0.26306E-03 ppm1 3.570 ppm2 6.659 CV 1 OR { 754} (( segid "ENHF" and resid 16 and name HA )) ( segid "ENHF" and resid 15 and name HE% ) ASSI { 755} (( segid "ENHF" and resid 41 and name HA )) (( segid "ENHF" and resid 44 and name HB1 )) 3.300 1.100 1.100 peak 755 spectrum 1 weight 0.11000E+01 volume 0.10170E-02 ppm1 3.469 ppm2 2.989 CV 1 ASSI { 756} (( segid "ENHF" and resid 41 and name HA )) (( segid "ENHF" and resid 44 and name HB2 )) 4.200 1.700 1.700 peak 756 spectrum 1 weight 0.11000E+01 volume 0.20608E-03 ppm1 3.467 ppm2 2.847 CV 1 ASSI { 757} (( segid "ENHF" and resid 41 and name HA )) (( segid "ENHF" and resid 41 and name HG11)) 3.400 1.200 1.200 peak 757 spectrum 1 weight 0.10000E+01 volume 0.88310E-03 ppm1 3.469 ppm2 1.809 CV 1 OR { 757} (( segid "ENHF" and resid 41 and name HA )) (( segid "ENHF" and resid 41 and name HB )) ASSI { 758} (( segid "ENHF" and resid 41 and name HA )) (( segid "ENHF" and resid 41 and name HG12)) 3.400 1.200 1.200 peak 758 spectrum 1 weight 0.10000E+01 volume 0.62677E-03 ppm1 3.465 ppm2 1.717 CV 1 ASSI { 759} (( segid "ENHF" and resid 41 and name HA )) ( segid "ENHF" and resid 40 and name HB% ) 6.000 4.300 0.000 peak 759 spectrum 1 weight 0.10000E+01 volume 0.17326E-04 ppm1 3.468 ppm2 1.582 CV 1 ASSI { 761} (( segid "ENHF" and resid 41 and name HA )) ( segid "ENHF" and resid 41 and name HG2%) 2.400 0.600 0.600 peak 761 spectrum 1 weight 0.10000E+01 volume 0.57328E-02 ppm1 3.469 ppm2 0.613 CV 1 ASSI { 762} (( segid "ENHF" and resid 41 and name HA )) ( segid "ENHF" and resid 41 and name HD1%) 3.500 1.200 1.200 peak 762 spectrum 1 weight 0.10000E+01 volume 0.10839E-02 ppm1 3.469 ppm2 0.521 CV 1 ASSI { 763} (( segid "ENHF" and resid 9 and name HA )) (( segid "ENHF" and resid 9 and name HB2 )) 2.200 0.500 0.500 peak 763 spectrum 1 weight 0.10000E+01 volume 0.10350E-01 ppm1 3.636 ppm2 2.281 CV 1 OR { 763} (( segid "ENHF" and resid 9 and name HA )) (( segid "ENHF" and resid 9 and name HB1 )) OR { 763} (( segid "ENHF" and resid 9 and name HA )) (( segid "ENHF" and resid 9 and name HG2 )) ASSI { 765} (( segid "ENHF" and resid 9 and name HA )) (( segid "ENHF" and resid 12 and name HB1 )) 3.300 1.100 1.100 peak 765 spectrum 1 weight 0.10000E+01 volume 0.83977E-03 ppm1 3.635 ppm2 1.398 CV 1 ASSI { 766} (( segid "ENHF" and resid 9 and name HA )) (( segid "ENHF" and resid 12 and name HG )) 5.900 3.400 0.100 peak 766 spectrum 1 weight 0.10000E+01 volume 0.62108E-04 ppm1 3.637 ppm2 1.272 CV 1 ASSI { 767} (( segid "ENHF" and resid 9 and name HA )) (( segid "ENHF" and resid 12 and name HB2 )) 4.100 1.700 1.700 peak 767 spectrum 1 weight 0.11000E+01 volume 0.26081E-03 ppm1 3.637 ppm2 1.002 CV 1 ASSI { 768} (( segid "ENHF" and resid 9 and name HA )) ( segid "ENHF" and resid 8 and name HG1%) 4.400 1.900 1.600 peak 768 spectrum 1 weight 0.10000E+01 volume 0.17791E-03 ppm1 3.634 ppm2 0.641 CV 1 ASSI { 769} (( segid "ENHF" and resid 9 and name HA )) ( segid "ENHF" and resid 12 and name HD2%) 3.700 1.400 1.400 peak 769 spectrum 1 weight 0.11000E+01 volume 0.46909E-03 ppm1 3.637 ppm2 -0.050 CV 1 ASSI { 770} (( segid "ENHF" and resid 9 and name HA )) ( segid "ENHF" and resid 44 and name HE% ) 4.800 2.300 1.200 peak 770 spectrum 1 weight 0.10000E+01 volume 0.94643E-04 ppm1 3.631 ppm2 6.805 CV 1 OR { 770} (( segid "ENHF" and resid 9 and name HA )) (( segid "ENHF" and resid 44 and name HZ )) ASSI { 771} (( segid "ENHF" and resid 31 and name HA )) (( segid "ENHF" and resid 34 and name HB1 )) 3.900 1.500 1.500 peak 771 spectrum 1 weight 0.11000E+01 volume 0.98960E-03 ppm1 3.520 ppm2 1.484 CV 1 ASSI { 773} (( segid "ENHF" and resid 31 and name HA )) ( segid "ENHF" and resid 31 and name HB% ) 2.200 0.500 0.500 peak 773 spectrum 1 weight 0.10000E+01 volume 0.96798E-02 ppm1 3.523 ppm2 1.273 CV 1 ASSI { 775} (( segid "ENHF" and resid 31 and name HA )) ( segid "ENHF" and resid 34 and name HD1%) 3.400 3.400 2.600 peak 775 spectrum 1 weight 0.11000E+01 volume 0.78830E-03 ppm1 3.524 ppm2 0.394 CV 1 ASSI { 776} (( segid "ENHF" and resid 31 and name HA )) ( segid "ENHF" and resid 12 and name HD1%) 3.800 1.500 1.500 peak 776 spectrum 1 weight 0.11000E+01 volume 0.38325E-03 ppm1 3.519 ppm2 0.254 CV 1 ASSI { 778} (( segid "ENHF" and resid 31 and name HA )) ( segid "ENHF" and resid 36 and name HD1%) 2.900 0.900 0.900 peak 778 spectrum 1 weight 0.10000E+01 volume 0.17246E-02 ppm1 3.523 ppm2 0.513 CV 1 ASSI { 779} (( segid "ENHF" and resid 5 and name HB2 )) (( segid "ENHF" and resid 5 and name HA )) 2.400 0.600 0.600 peak 779 spectrum 1 weight 0.11000E+01 volume 0.62146E-02 ppm1 3.930 ppm2 4.406 CV 1 ASSI { 781} (( segid "ENHF" and resid 5 and name HB2 )) (( segid "ENHF" and resid 5 and name HB1 )) 1.700 0.300 0.500 peak 781 spectrum 1 weight 0.11000E+01 volume 0.24818E-01 ppm1 3.931 ppm2 4.164 CV 1 ASSI { 784} (( segid "ENHF" and resid 5 and name HB1 )) (( segid "ENHF" and resid 5 and name HA )) 2.200 0.500 0.500 peak 784 spectrum 1 weight 0.10000E+01 volume 0.91473E-02 ppm1 4.164 ppm2 4.404 CV 1 ASSI { 789} (( segid "ENHF" and resid 5 and name HB2 )) (( segid "ENHF" and resid 35 and name HA2 )) 6.000 5.600 0.000 peak 789 spectrum 1 weight 0.10000E+01 volume 0.14831E-04 ppm1 3.928 ppm2 3.697 CV 1 ASSI { 790} (( segid "ENHF" and resid 5 and name HB2 )) (( segid "ENHF" and resid 7 and name HA )) 6.000 4.700 0.000 peak 790 spectrum 1 weight 0.10000E+01 volume 0.27305E-04 ppm1 3.924 ppm2 4.523 CV 1 ASSI { 791} (( segid "ENHF" and resid 15 and name HA )) ( segid "ENHF" and resid 15 and name HD% ) 2.700 0.700 0.700 peak 791 spectrum 1 weight 0.10000E+01 volume 0.28698E-02 ppm1 4.113 ppm2 6.638 CV 1 ASSI { 792} (( segid "ENHF" and resid 15 and name HA )) (( segid "ENHF" and resid 15 and name HB2 )) 2.100 0.500 0.500 peak 792 spectrum 1 weight 0.10000E+01 volume 0.11888E-01 ppm1 4.114 ppm2 3.073 CV 1 OR { 792} (( segid "ENHF" and resid 15 and name HA )) (( segid "ENHF" and resid 15 and name HB1 )) ASSI { 795} (( segid "ENHF" and resid 15 and name HA )) (( segid "ENHF" and resid 19 and name HD2 )) 4.400 1.900 1.600 peak 795 spectrum 1 weight 0.11000E+01 volume 0.19680E-03 ppm1 4.112 ppm2 6.847 CV 1 ASSI { 796} (( segid "ENHF" and resid 44 and name HA )) ( segid "ENHF" and resid 48 and name HD% ) 3.000 0.900 0.900 peak 796 spectrum 1 weight 0.10000E+01 volume 0.15216E-02 ppm1 4.099 ppm2 7.038 CV 1 ASSI { 797} (( segid "ENHF" and resid 44 and name HA )) (( segid "ENHF" and resid 44 and name HB2 )) 2.400 0.600 0.600 peak 797 spectrum 1 weight 0.10000E+01 volume 0.56607E-02 ppm1 4.101 ppm2 2.841 CV 1 ASSI { 800} (( segid "ENHF" and resid 30 and name HA )) (( segid "ENHF" and resid 33 and name HD1 )) 5.000 2.500 1.000 peak 800 spectrum 1 weight 0.10000E+01 volume 0.13179E-03 ppm1 4.007 ppm2 3.114 CV 1 OR { 800} (( segid "ENHF" and resid 30 and name HA )) (( segid "ENHF" and resid 33 and name HD2 )) ASSI { 803} (( segid "ENHF" and resid 30 and name HA )) (( segid "ENHF" and resid 30 and name HB1 )) 2.500 0.600 0.600 peak 803 spectrum 1 weight 0.11000E+01 volume 0.61380E-02 ppm1 4.003 ppm2 2.737 CV 1 ASSI { 804} (( segid "ENHF" and resid 30 and name HA )) (( segid "ENHF" and resid 30 and name HB2 )) 2.800 0.800 0.800 peak 804 spectrum 1 weight 0.11000E+01 volume 0.19489E-02 ppm1 4.004 ppm2 2.432 CV 1 ASSI { 805} (( segid "ENHF" and resid 30 and name HA )) (( segid "ENHF" and resid 33 and name HB1 )) 2.600 0.700 0.700 peak 805 spectrum 1 weight 0.11000E+01 volume 0.32352E-02 ppm1 4.005 ppm2 1.830 CV 1 ASSI { 806} (( segid "ENHF" and resid 45 and name HA )) (( segid "ENHF" and resid 48 and name HB2 )) 3.100 1.000 1.000 peak 806 spectrum 1 weight 0.11000E+01 volume 0.10065E-02 ppm1 4.196 ppm2 2.578 CV 1 ASSI { 807} (( segid "ENHF" and resid 45 and name HA )) ( segid "ENHF" and resid 45 and name HD% ) 2.700 0.700 0.700 peak 807 spectrum 1 weight 0.11000E+01 volume 0.36889E-02 ppm1 4.191 ppm2 7.362 CV 1 ASSI { 808} (( segid "ENHF" and resid 45 and name HA )) ( segid "ENHF" and resid 48 and name HE% ) 4.700 2.200 1.300 peak 808 spectrum 1 weight 0.10000E+01 volume 0.14560E-03 ppm1 4.194 ppm2 7.244 CV 1 ASSI { 809} (( segid "ENHF" and resid 45 and name HA )) ( segid "ENHF" and resid 44 and name HD% ) 6.000 3.700 0.000 peak 809 spectrum 1 weight 0.10000E+01 volume 0.25838E-04 ppm1 4.194 ppm2 6.561 CV 1 ASSI { 810} (( segid "ENHF" and resid 45 and name HA )) (( segid "ENHF" and resid 45 and name HB1 )) 2.300 0.500 0.500 peak 810 spectrum 1 weight 0.11000E+01 volume 0.74772E-02 ppm1 4.191 ppm2 3.271 CV 1 ASSI { 811} (( segid "ENHF" and resid 45 and name HA )) (( segid "ENHF" and resid 48 and name HB1 )) 6.000 4.500 0.000 peak 811 spectrum 1 weight 0.11000E+01 volume 0.41071E-04 ppm1 4.194 ppm2 2.893 CV 1 ASSI { 813} (( segid "ENHF" and resid 22 and name HA )) (( segid "ENHF" and resid 26 and name HB1 )) 4.900 2.400 1.100 peak 813 spectrum 1 weight 0.10000E+01 volume 0.16883E-03 ppm1 4.389 ppm2 2.322 CV 1 OR { 813} (( segid "ENHF" and resid 22 and name HA )) (( segid "ENHF" and resid 26 and name HG1 )) OR { 813} (( segid "ENHF" and resid 22 and name HA )) (( segid "ENHF" and resid 26 and name HG2 )) ASSI { 814} (( segid "ENHF" and resid 22 and name HA )) (( segid "ENHF" and resid 22 and name HB )) 2.400 0.600 0.600 peak 814 spectrum 1 weight 0.10000E+01 volume 0.58559E-02 ppm1 4.387 ppm2 1.879 CV 1 ASSI { 815} (( segid "ENHF" and resid 22 and name HA )) (( segid "ENHF" and resid 21 and name HB2 )) 5.100 2.600 0.900 peak 815 spectrum 1 weight 0.10000E+01 volume 0.82202E-04 ppm1 4.389 ppm2 1.747 CV 1 ASSI { 816} (( segid "ENHF" and resid 22 and name HA )) (( segid "ENHF" and resid 22 and name HG11)) 2.400 0.600 0.600 peak 816 spectrum 1 weight 0.10000E+01 volume 0.46632E-02 ppm1 4.386 ppm2 1.524 CV 1 ASSI { 817} (( segid "ENHF" and resid 22 and name HA )) ( segid "ENHF" and resid 23 and name HG2%) 5.200 2.700 0.800 peak 817 spectrum 1 weight 0.10000E+01 volume 0.14744E-03 ppm1 4.389 ppm2 1.319 CV 1 ASSI { 818} (( segid "ENHF" and resid 22 and name HA )) ( segid "ENHF" and resid 22 and name HG2%) 2.800 0.800 0.800 peak 818 spectrum 1 weight 0.10000E+01 volume 0.39992E-02 ppm1 4.386 ppm2 0.843 CV 1 ASSI { 819} (( segid "ENHF" and resid 22 and name HA )) ( segid "ENHF" and resid 22 and name HD1%) 3.800 1.400 1.400 peak 819 spectrum 1 weight 0.11000E+01 volume 0.11287E-02 ppm1 4.387 ppm2 0.701 CV 1 ASSI { 820} (( segid "ENHF" and resid 22 and name HA )) (( segid "ENHF" and resid 22 and name HG12)) 3.400 1.200 1.200 peak 820 spectrum 1 weight 0.11000E+01 volume 0.13038E-02 ppm1 4.385 ppm2 1.225 CV 1 ASSI { 821} (( segid "ENHF" and resid 13 and name HA )) (( segid "ENHF" and resid 44 and name HZ )) 3.800 1.500 1.500 peak 821 spectrum 1 weight 0.10000E+01 volume 0.36815E-03 ppm1 3.874 ppm2 6.805 CV 1 OR { 821} (( segid "ENHF" and resid 13 and name HA )) ( segid "ENHF" and resid 44 and name HE% ) ASSI { 823} (( segid "ENHF" and resid 13 and name HA )) (( segid "ENHF" and resid 13 and name HB2 )) 2.400 0.600 0.600 peak 823 spectrum 1 weight 0.10000E+01 volume 0.46135E-02 ppm1 3.871 ppm2 1.862 CV 1 ASSI { 824} (( segid "ENHF" and resid 13 and name HA )) (( segid "ENHF" and resid 13 and name HG1 )) 2.700 0.700 0.700 peak 824 spectrum 1 weight 0.10000E+01 volume 0.29970E-02 ppm1 3.872 ppm2 1.730 CV 1 OR { 824} (( segid "ENHF" and resid 13 and name HA )) (( segid "ENHF" and resid 13 and name HD1 )) ASSI { 825} (( segid "ENHF" and resid 13 and name HA )) (( segid "ENHF" and resid 13 and name HG2 )) 2.600 0.700 0.700 peak 825 spectrum 1 weight 0.10000E+01 volume 0.45305E-02 ppm1 3.873 ppm2 1.339 CV 1 ASSI { 826} (( segid "ENHF" and resid 13 and name HA )) ( segid "ENHF" and resid 16 and name HG1%) 3.700 1.400 1.400 peak 826 spectrum 1 weight 0.10000E+01 volume 0.81512E-03 ppm1 3.871 ppm2 0.925 CV 1 ASSI { 827} (( segid "ENHF" and resid 23 and name HA )) (( segid "ENHF" and resid 23 and name HB )) 2.200 0.500 0.500 peak 827 spectrum 1 weight 0.11000E+01 volume 0.97681E-02 ppm1 4.609 ppm2 4.709 CV 1 ASSI { 829} (( segid "ENHF" and resid 23 and name HA )) (( segid "ENHF" and resid 22 and name HG11)) 5.300 2.800 0.700 peak 829 spectrum 1 weight 0.10000E+01 volume 0.11123E-03 ppm1 4.605 ppm2 1.541 CV 1 ASSI { 830} (( segid "ENHF" and resid 23 and name HA )) (( segid "ENHF" and resid 24 and name HA )) 3.100 3.100 2.900 peak 830 spectrum 1 weight 0.10000E+01 volume 0.18940E-02 ppm1 4.613 ppm2 3.848 CV 1 ASSI { 831} (( segid "ENHF" and resid 23 and name HA )) (( segid "ENHF" and resid 24 and name HG1 )) 6.000 6.000 0.000 peak 831 spectrum 1 weight 0.10000E+01 volume 0.88760E-05 ppm1 4.608 ppm2 2.256 CV 1 OR { 831} (( segid "ENHF" and resid 23 and name HA )) (( segid "ENHF" and resid 24 and name HG2 )) ASSI { 832} (( segid "ENHF" and resid 42 and name HA )) ( segid "ENHF" and resid 41 and name HG2%) 3.800 1.500 1.500 peak 832 spectrum 1 weight 0.10000E+01 volume 0.39001E-03 ppm1 4.022 ppm2 0.610 CV 1 ASSI { 834} (( segid "ENHF" and resid 42 and name HA )) (( segid "ENHF" and resid 42 and name HB2 )) 2.200 0.500 0.500 peak 834 spectrum 1 weight 0.11000E+01 volume 0.98821E-02 ppm1 4.014 ppm2 1.998 CV 1 ASSI { 835} (( segid "ENHF" and resid 42 and name HA )) (( segid "ENHF" and resid 42 and name HG2 )) 2.900 0.800 0.800 peak 835 spectrum 1 weight 0.10000E+01 volume 0.24562E-02 ppm1 4.014 ppm2 1.612 CV 1 ASSI { 836} (( segid "ENHF" and resid 38 and name HA )) (( segid "ENHF" and resid 38 and name HB1 )) 2.200 0.500 0.500 peak 836 spectrum 1 weight 0.11000E+01 volume 0.85326E-02 ppm1 3.829 ppm2 2.047 CV 1 ASSI { 837} (( segid "ENHF" and resid 38 and name HA )) (( segid "ENHF" and resid 41 and name HB )) 2.400 0.600 0.600 peak 837 spectrum 1 weight 0.10000E+01 volume 0.49811E-02 ppm1 3.831 ppm2 1.810 CV 1 OR { 837} (( segid "ENHF" and resid 38 and name HA )) (( segid "ENHF" and resid 41 and name HG11)) ASSI { 838} (( segid "ENHF" and resid 38 and name HA )) ( segid "ENHF" and resid 31 and name HB% ) 3.700 1.400 1.400 peak 838 spectrum 1 weight 0.10000E+01 volume 0.13241E-02 ppm1 3.833 ppm2 1.284 CV 1 ASSI { 839} (( segid "ENHF" and resid 38 and name HA )) ( segid "ENHF" and resid 41 and name HG2%) 3.700 1.300 1.300 peak 839 spectrum 1 weight 0.10000E+01 volume 0.10491E-02 ppm1 3.831 ppm2 0.616 CV 1 ASSI { 840} (( segid "ENHF" and resid 38 and name HA )) ( segid "ENHF" and resid 41 and name HD1%) 2.600 0.700 0.700 peak 840 spectrum 1 weight 0.10000E+01 volume 0.31296E-02 ppm1 3.828 ppm2 0.512 CV 1 ASSI { 841} (( segid "ENHF" and resid 42 and name HA )) (( segid "ENHF" and resid 42 and name HG1 )) 2.700 0.700 0.700 peak 841 spectrum 1 weight 0.10000E+01 volume 0.28575E-02 ppm1 4.016 ppm2 1.801 CV 1 ASSI { 842} (( segid "ENHF" and resid 42 and name HA )) ( segid "ENHF" and resid 45 and name HD% ) 3.900 3.900 2.100 peak 842 spectrum 1 weight 0.11000E+01 volume 0.37621E-03 ppm1 4.016 ppm2 7.361 CV 1 ASSI { 843} (( segid "ENHF" and resid 38 and name HA )) (( segid "ENHF" and resid 38 and name HG2 )) 2.700 0.700 0.700 peak 843 spectrum 1 weight 0.10000E+01 volume 0.34095E-02 ppm1 3.828 ppm2 2.354 CV 1 OR { 843} (( segid "ENHF" and resid 38 and name HA )) (( segid "ENHF" and resid 38 and name HG1 )) ASSI { 844} (( segid "ENHF" and resid 25 and name HA )) (( segid "ENHF" and resid 25 and name HB1 )) 2.600 0.700 0.700 peak 844 spectrum 1 weight 0.11000E+01 volume 0.57050E-02 ppm1 4.096 ppm2 2.076 CV 1 ASSI { 847} (( segid "ENHF" and resid 28 and name HA )) (( segid "ENHF" and resid 28 and name HD2 )) 3.400 1.200 1.200 peak 847 spectrum 1 weight 0.10000E+01 volume 0.11255E-02 ppm1 4.080 ppm2 7.162 CV 1 ASSI { 848} (( segid "ENHF" and resid 28 and name HA )) ( segid "ENHF" and resid 31 and name HB% ) 2.600 0.700 0.700 peak 848 spectrum 1 weight 0.11000E+01 volume 0.30269E-02 ppm1 4.076 ppm2 1.279 CV 1 ASSI { 849} (( segid "ENHF" and resid 28 and name HA )) ( segid "ENHF" and resid 41 and name HG2%) 3.000 0.900 0.900 peak 849 spectrum 1 weight 0.10000E+01 volume 0.17460E-02 ppm1 4.073 ppm2 0.622 CV 1 ASSI { 852} (( segid "ENHF" and resid 48 and name HA )) (( segid "ENHF" and resid 51 and name HD2 )) 5.300 2.800 0.700 peak 852 spectrum 1 weight 0.10000E+01 volume 0.60114E-04 ppm1 4.254 ppm2 3.116 CV 1 OR { 852} (( segid "ENHF" and resid 48 and name HA )) (( segid "ENHF" and resid 51 and name HD1 )) ASSI { 853} (( segid "ENHF" and resid 48 and name HA )) (( segid "ENHF" and resid 48 and name HB1 )) 2.700 0.700 0.700 peak 853 spectrum 1 weight 0.10000E+01 volume 0.47011E-02 ppm1 4.251 ppm2 2.895 CV 1 ASSI { 854} (( segid "ENHF" and resid 48 and name HA )) (( segid "ENHF" and resid 48 and name HB2 )) 2.400 0.600 0.600 peak 854 spectrum 1 weight 0.11000E+01 volume 0.56605E-02 ppm1 4.251 ppm2 2.586 CV 1 ASSI { 855} (( segid "ENHF" and resid 24 and name HA )) (( segid "ENHF" and resid 27 and name HB1 )) 2.400 0.600 0.600 peak 855 spectrum 1 weight 0.11000E+01 volume 0.41543E-02 ppm1 3.836 ppm2 1.866 CV 1 ASSI { 857} (( segid "ENHF" and resid 24 and name HA )) (( segid "ENHF" and resid 24 and name HG1 )) 2.500 0.600 0.600 peak 857 spectrum 1 weight 0.11000E+01 volume 0.45417E-02 ppm1 3.835 ppm2 2.228 CV 1 ASSI { 859} (( segid "ENHF" and resid 24 and name HA )) (( segid "ENHF" and resid 27 and name HB2 )) 3.000 0.900 0.900 peak 859 spectrum 1 weight 0.10000E+01 volume 0.21400E-02 ppm1 3.833 ppm2 1.635 CV 1 ASSI { 862} (( segid "ENHF" and resid 39 and name HA )) (( segid "ENHF" and resid 39 and name HB2 )) 2.000 0.400 0.400 peak 862 spectrum 1 weight 0.10000E+01 volume 0.17598E-01 ppm1 4.117 ppm2 1.998 CV 1 ASSI { 863} (( segid "ENHF" and resid 11 and name HA )) (( segid "ENHF" and resid 11 and name HG1 )) 2.500 0.600 0.600 peak 863 spectrum 1 weight 0.10000E+01 volume 0.48912E-02 ppm1 4.084 ppm2 1.619 CV 1 ASSI { 864} (( segid "ENHF" and resid 11 and name HA )) (( segid "ENHF" and resid 11 and name HG2 )) 2.700 0.700 0.700 peak 864 spectrum 1 weight 0.10000E+01 volume 0.45147E-02 ppm1 4.081 ppm2 1.485 CV 1 ASSI { 873} (( segid "ENHF" and resid 32 and name HA )) (( segid "ENHF" and resid 35 and name HA2 )) 3.000 0.900 0.900 peak 873 spectrum 1 weight 0.10000E+01 volume 0.21190E-02 ppm1 4.036 ppm2 3.678 CV 1 ASSI { 881} (( segid "ENHF" and resid 6 and name HA )) (( segid "ENHF" and resid 6 and name HG2 )) 2.700 0.700 0.700 peak 881 spectrum 1 weight 0.11000E+01 volume 0.51423E-02 ppm1 4.184 ppm2 2.379 CV 1 ASSI { 882} (( segid "ENHF" and resid 6 and name HA )) (( segid "ENHF" and resid 9 and name HB1 )) 2.500 2.500 3.500 peak 882 spectrum 1 weight 0.11000E+01 volume 0.46793E-02 ppm1 4.184 ppm2 2.265 CV 1 ASSI { 883} (( segid "ENHF" and resid 6 and name HA )) (( segid "ENHF" and resid 6 and name HB2 )) 2.100 0.500 0.500 peak 883 spectrum 1 weight 0.11000E+01 volume 0.10896E-01 ppm1 4.183 ppm2 2.065 CV 1 ASSI { 885} (( segid "ENHF" and resid 17 and name HA )) ( segid "ENHF" and resid 16 and name HG1%) 3.500 1.300 1.300 peak 885 spectrum 1 weight 0.10000E+01 volume 0.68078E-03 ppm1 4.004 ppm2 0.915 CV 1 ASSI { 886} (( segid "ENHF" and resid 33 and name HA )) (( segid "ENHF" and resid 33 and name HD2 )) 4.300 1.900 1.700 peak 886 spectrum 1 weight 0.11000E+01 volume 0.18400E-03 ppm1 3.985 ppm2 3.125 CV 1 ASSI { 888} (( segid "ENHF" and resid 27 and name HA )) (( segid "ENHF" and resid 27 and name HB2 )) 2.200 0.500 0.500 peak 888 spectrum 1 weight 0.10000E+01 volume 0.97968E-02 ppm1 4.019 ppm2 1.629 CV 1 OR { 888} (( segid "ENHF" and resid 27 and name HA )) (( segid "ENHF" and resid 27 and name HG )) ASSI { 890} (( segid "ENHF" and resid 27 and name HA )) ( segid "ENHF" and resid 15 and name HE% ) 3.100 1.000 1.000 peak 890 spectrum 1 weight 0.11000E+01 volume 0.13953E-02 ppm1 4.017 ppm2 6.661 CV 1 OR { 890} (( segid "ENHF" and resid 27 and name HA )) ( segid "ENHF" and resid 15 and name HD% ) ASSI { 891} (( segid "ENHF" and resid 27 and name HA )) (( segid "ENHF" and resid 30 and name HB1 )) 3.000 0.900 0.900 peak 891 spectrum 1 weight 0.11000E+01 volume 0.12366E-02 ppm1 4.017 ppm2 2.743 CV 1 ASSI { 892} (( segid "ENHF" and resid 27 and name HA )) ( segid "ENHF" and resid 22 and name HD1%) 3.200 1.000 1.000 peak 892 spectrum 1 weight 0.11000E+01 volume 0.10784E-02 ppm1 4.016 ppm2 0.684 CV 1 ASSI { 894} (( segid "ENHF" and resid 47 and name HA )) (( segid "ENHF" and resid 47 and name HG1 )) 2.500 0.600 0.600 peak 894 spectrum 1 weight 0.10000E+01 volume 0.52229E-02 ppm1 4.053 ppm2 2.349 CV 1 ASSI { 895} (( segid "ENHF" and resid 47 and name HA )) (( segid "ENHF" and resid 47 and name HG2 )) 2.500 0.600 0.600 peak 895 spectrum 1 weight 0.10000E+01 volume 0.51729E-02 ppm1 4.053 ppm2 2.083 CV 1 ASSI { 896} (( segid "ENHF" and resid 47 and name HA )) (( segid "ENHF" and resid 47 and name HB1 )) 2.200 0.500 0.500 peak 896 spectrum 1 weight 0.10000E+01 volume 0.11493E-01 ppm1 4.052 ppm2 1.983 CV 1 ASSI { 898} (( segid "ENHF" and resid 27 and name HA )) ( segid "ENHF" and resid 30 and name HD% ) 3.800 3.800 2.200 peak 898 spectrum 1 weight 0.11000E+01 volume 0.63588E-03 ppm1 4.016 ppm2 6.454 CV 1 ASSI { 899} (( segid "ENHF" and resid 12 and name HA )) (( segid "ENHF" and resid 15 and name HB2 )) 2.600 0.700 0.700 peak 899 spectrum 1 weight 0.11000E+01 volume 0.41137E-02 ppm1 4.006 ppm2 3.085 CV 1 ASSI { 900} (( segid "ENHF" and resid 12 and name HA )) (( segid "ENHF" and resid 12 and name HG )) 2.800 0.800 0.800 peak 900 spectrum 1 weight 0.10000E+01 volume 0.22713E-02 ppm1 4.010 ppm2 1.271 CV 1 ASSI { 901} (( segid "ENHF" and resid 12 and name HA )) ( segid "ENHF" and resid 12 and name HD1%) 2.300 0.500 0.500 peak 901 spectrum 1 weight 0.10000E+01 volume 0.62608E-02 ppm1 4.007 ppm2 0.250 CV 1 ASSI { 902} (( segid "ENHF" and resid 12 and name HA )) ( segid "ENHF" and resid 34 and name HD1%) 4.400 1.900 1.600 peak 902 spectrum 1 weight 0.10000E+01 volume 0.20369E-03 ppm1 4.004 ppm2 0.380 CV 1 ASSI { 903} (( segid "ENHF" and resid 12 and name HA )) ( segid "ENHF" and resid 12 and name HD2%) 3.600 1.300 1.300 peak 903 spectrum 1 weight 0.10000E+01 volume 0.16099E-02 ppm1 4.000 ppm2 -0.047 CV 1 ASSI { 904} (( segid "ENHF" and resid 12 and name HA )) ( segid "ENHF" and resid 30 and name HE% ) 3.200 1.000 1.000 peak 904 spectrum 1 weight 0.10000E+01 volume 0.11139E-02 ppm1 4.010 ppm2 6.351 CV 1 ASSI { 905} (( segid "ENHF" and resid 12 and name HA )) (( segid "ENHF" and resid 12 and name HB1 )) 2.800 0.800 0.800 peak 905 spectrum 1 weight 0.11000E+01 volume 0.32733E-02 ppm1 4.006 ppm2 1.400 CV 1 ASSI { 906} (( segid "ENHF" and resid 12 and name HA )) (( segid "ENHF" and resid 12 and name HB2 )) 2.500 0.600 0.600 peak 906 spectrum 1 weight 0.11000E+01 volume 0.36645E-02 ppm1 4.009 ppm2 1.004 CV 1 ASSI { 908} (( segid "ENHF" and resid 20 and name HA )) (( segid "ENHF" and resid 20 and name HG2 )) 2.800 0.800 0.800 peak 908 spectrum 1 weight 0.11000E+01 volume 0.26991E-02 ppm1 4.186 ppm2 2.363 CV 1 ASSI { 909} (( segid "ENHF" and resid 20 and name HA )) (( segid "ENHF" and resid 20 and name HB1 )) 2.500 0.600 0.600 peak 909 spectrum 1 weight 0.11000E+01 volume 0.41744E-02 ppm1 4.185 ppm2 2.076 CV 1 ASSI { 914} (( segid "ENHF" and resid 20 and name HA )) (( segid "ENHF" and resid 20 and name HB2 )) 2.900 0.800 0.800 peak 914 spectrum 1 weight 0.10000E+01 volume 0.30783E-02 ppm1 4.187 ppm2 1.965 CV 1 ASSI { 915} (( segid "ENHF" and resid 52 and name HA )) (( segid "ENHF" and resid 52 and name HB1 )) 3.000 0.900 0.900 peak 915 spectrum 1 weight 0.10000E+01 volume 0.15875E-02 ppm1 4.094 ppm2 1.768 CV 1 ASSI { 916} (( segid "ENHF" and resid 52 and name HA )) (( segid "ENHF" and resid 52 and name HG2 )) 3.600 1.300 1.300 peak 916 spectrum 1 weight 0.11000E+01 volume 0.78737E-03 ppm1 4.093 ppm2 1.347 CV 1 ASSI { 917} (( segid "ENHF" and resid 49 and name HA )) (( segid "ENHF" and resid 49 and name HG2 )) 2.900 0.900 0.900 peak 917 spectrum 1 weight 0.11000E+01 volume 0.34332E-02 ppm1 4.085 ppm2 2.240 CV 1 ASSI { 918} (( segid "ENHF" and resid 49 and name HA )) (( segid "ENHF" and resid 49 and name HB2 )) 2.600 0.700 0.700 peak 918 spectrum 1 weight 0.11000E+01 volume 0.40181E-02 ppm1 4.086 ppm2 1.937 CV 1 ASSI { 919} (( segid "ENHF" and resid 49 and name HA )) (( segid "ENHF" and resid 49 and name HB1 )) 2.700 0.700 0.700 peak 919 spectrum 1 weight 0.10000E+01 volume 0.33824E-02 ppm1 4.083 ppm2 2.023 CV 1 ASSI { 921} (( segid "ENHF" and resid 18 and name HA )) (( segid "ENHF" and resid 18 and name HG1 )) 2.400 0.600 0.600 peak 921 spectrum 1 weight 0.10000E+01 volume 0.61443E-02 ppm1 4.125 ppm2 1.620 CV 1 OR { 921} (( segid "ENHF" and resid 18 and name HA )) (( segid "ENHF" and resid 18 and name HB1 )) ASSI { 923} (( segid "ENHF" and resid 2 and name HA )) (( segid "ENHF" and resid 2 and name HG1 )) 2.900 0.800 0.800 peak 923 spectrum 1 weight 0.11000E+01 volume 0.24409E-02 ppm1 4.103 ppm2 1.222 CV 1 ASSI { 924} (( segid "ENHF" and resid 51 and name HA )) (( segid "ENHF" and resid 51 and name HB1 )) 2.500 0.600 0.600 peak 924 spectrum 1 weight 0.11000E+01 volume 0.39231E-02 ppm1 4.272 ppm2 1.823 CV 1 ASSI { 925} (( segid "ENHF" and resid 51 and name HA )) (( segid "ENHF" and resid 51 and name HB2 )) 2.900 0.900 0.900 peak 925 spectrum 1 weight 0.11000E+01 volume 0.24325E-02 ppm1 4.273 ppm2 1.720 CV 1 ASSI { 926} (( segid "ENHF" and resid 51 and name HA )) (( segid "ENHF" and resid 51 and name HG2 )) 2.600 0.700 0.700 peak 926 spectrum 1 weight 0.11000E+01 volume 0.31562E-02 ppm1 4.272 ppm2 1.594 CV 1 ASSI { 927} (( segid "ENHF" and resid 18 and name HA )) (( segid "ENHF" and resid 18 and name HD1 )) 3.800 1.400 1.400 peak 927 spectrum 1 weight 0.11000E+01 volume 0.10567E-02 ppm1 4.123 ppm2 3.056 CV 1 ASSI { 928} (( segid "ENHF" and resid 2 and name HA )) (( segid "ENHF" and resid 2 and name HB2 )) 2.900 0.800 0.800 peak 928 spectrum 1 weight 0.11000E+01 volume 0.21087E-02 ppm1 4.111 ppm2 1.371 CV 1 ASSI { 929} (( segid "ENHF" and resid 51 and name HA )) (( segid "ENHF" and resid 51 and name HD1 )) 4.200 1.800 1.800 peak 929 spectrum 1 weight 0.11000E+01 volume 0.56550E-03 ppm1 4.278 ppm2 3.102 CV 1 ASSI { 930} (( segid "ENHF" and resid 50 and name HA )) (( segid "ENHF" and resid 50 and name HB2 )) 2.900 0.800 0.800 peak 930 spectrum 1 weight 0.10000E+01 volume 0.31673E-02 ppm1 4.215 ppm2 1.987 CV 1 ASSI { 931} (( segid "ENHF" and resid 50 and name HA )) (( segid "ENHF" and resid 50 and name HG2 )) 2.700 0.700 0.700 peak 931 spectrum 1 weight 0.10000E+01 volume 0.36413E-02 ppm1 4.209 ppm2 2.357 CV 1 OR { 931} (( segid "ENHF" and resid 50 and name HA )) (( segid "ENHF" and resid 50 and name HG1 )) ASSI { 933} (( segid "ENHF" and resid 3 and name HA )) (( segid "ENHF" and resid 3 and name HG1 )) 2.800 0.800 0.800 peak 933 spectrum 1 weight 0.11000E+01 volume 0.43426E-02 ppm1 4.198 ppm2 2.223 CV 1 ASSI { 934} (( segid "ENHF" and resid 3 and name HA )) (( segid "ENHF" and resid 3 and name HB2 )) 2.900 0.800 0.800 peak 934 spectrum 1 weight 0.11000E+01 volume 0.29415E-02 ppm1 4.197 ppm2 1.753 CV 1 ASSI { 935} (( segid "ENHF" and resid 7 and name HA )) (( segid "ENHF" and resid 10 and name HG1 )) 4.400 2.000 1.600 peak 935 spectrum 1 weight 0.10000E+01 volume 0.27135E-03 ppm1 4.495 ppm2 2.414 CV 1 OR { 935} (( segid "ENHF" and resid 7 and name HA )) (( segid "ENHF" and resid 10 and name HG2 )) ASSI { 937} (( segid "ENHF" and resid 7 and name HA )) (( segid "ENHF" and resid 10 and name HB1 )) 2.600 0.700 0.700 peak 937 spectrum 1 weight 0.11000E+01 volume 0.32834E-02 ppm1 4.494 ppm2 2.134 CV 1 ASSI { 938} (( segid "ENHF" and resid 21 and name HA )) (( segid "ENHF" and resid 21 and name HD1 )) 4.000 1.600 1.600 peak 938 spectrum 1 weight 0.11000E+01 volume 0.60896E-03 ppm1 4.425 ppm2 3.176 CV 1 ASSI { 940} (( segid "ENHF" and resid 21 and name HA )) (( segid "ENHF" and resid 21 and name HB1 )) 2.400 0.600 0.600 peak 940 spectrum 1 weight 0.10000E+01 volume 0.58503E-02 ppm1 4.416 ppm2 1.889 CV 1 ASSI { 941} (( segid "ENHF" and resid 21 and name HA )) (( segid "ENHF" and resid 21 and name HB2 )) 2.700 0.700 0.700 peak 941 spectrum 1 weight 0.11000E+01 volume 0.30607E-02 ppm1 4.418 ppm2 1.736 CV 1 ASSI { 942} (( segid "ENHF" and resid 21 and name HA )) (( segid "ENHF" and resid 21 and name HG2 )) 2.500 0.600 0.600 peak 942 spectrum 1 weight 0.10000E+01 volume 0.43829E-02 ppm1 4.417 ppm2 1.543 CV 1 OR { 942} (( segid "ENHF" and resid 21 and name HA )) (( segid "ENHF" and resid 21 and name HG1 )) ASSI { 944} (( segid "ENHF" and resid 19 and name HA )) (( segid "ENHF" and resid 19 and name HB1 )) 2.400 0.600 0.600 peak 944 spectrum 1 weight 0.11000E+01 volume 0.58401E-02 ppm1 4.570 ppm2 2.967 CV 1 ASSI { 945} (( segid "ENHF" and resid 19 and name HA )) (( segid "ENHF" and resid 19 and name HB2 )) 2.800 0.800 0.800 peak 945 spectrum 1 weight 0.11000E+01 volume 0.26099E-02 ppm1 4.568 ppm2 2.532 CV 1 ASSI { 946} (( segid "ENHF" and resid 34 and name HA )) (( segid "ENHF" and resid 34 and name HB1 )) 2.400 0.600 0.600 peak 946 spectrum 1 weight 0.10000E+01 volume 0.40017E-02 ppm1 4.082 ppm2 1.491 CV 1 ASSI { 947} (( segid "ENHF" and resid 40 and name HA )) (( segid "ENHF" and resid 43 and name HB1 )) 2.300 0.500 0.500 peak 947 spectrum 1 weight 0.11000E+01 volume 0.59711E-02 ppm1 4.237 ppm2 2.253 CV 1 ASSI { 949} (( segid "ENHF" and resid 40 and name HA )) ( segid "ENHF" and resid 40 and name HB% ) 2.000 0.400 0.400 peak 949 spectrum 1 weight 0.10000E+01 volume 0.14711E-01 ppm1 4.237 ppm2 1.564 CV 1 ASSI { 952} (( segid "ENHF" and resid 34 and name HA )) (( segid "ENHF" and resid 34 and name HG )) 2.900 0.900 0.900 peak 952 spectrum 1 weight 0.10000E+01 volume 0.23042E-02 ppm1 4.090 ppm2 1.219 CV 1 ASSI { 954} (( segid "ENHF" and resid 34 and name HA )) ( segid "ENHF" and resid 34 and name HD1%) 4.000 1.600 1.600 peak 954 spectrum 1 weight 0.11000E+01 volume 0.93472E-03 ppm1 4.087 ppm2 0.416 CV 1 ASSI { 955} (( segid "ENHF" and resid 34 and name HA )) (( segid "ENHF" and resid 34 and name HB2 )) 2.500 0.600 0.600 peak 955 spectrum 1 weight 0.10000E+01 volume 0.63977E-02 ppm1 4.084 ppm2 1.377 CV 1 ASSI { 956} (( segid "ENHF" and resid 34 and name HA )) ( segid "ENHF" and resid 34 and name HD2%) 2.100 0.400 0.400 peak 956 spectrum 1 weight 0.10000E+01 volume 0.11928E-01 ppm1 4.085 ppm2 0.546 CV 1 ASSI { 957} (( segid "ENHF" and resid 1 and name HA )) (( segid "ENHF" and resid 1 and name HB1 )) 2.700 0.700 0.700 peak 957 spectrum 1 weight 0.11000E+01 volume 0.28859E-02 ppm1 4.081 ppm2 2.090 CV 1 ASSI { 961} (( segid "ENHF" and resid 36 and name HA )) ( segid "ENHF" and resid 36 and name HD1%) 3.800 1.500 1.500 peak 961 spectrum 1 weight 0.10000E+01 volume 0.96100E-03 ppm1 4.420 ppm2 0.505 CV 1 ASSI { 964} (( segid "ENHF" and resid 13 and name HA )) (( segid "ENHF" and resid 16 and name HB )) 3.000 0.900 0.900 peak 964 spectrum 1 weight 0.11000E+01 volume 0.13620E-02 ppm1 3.872 ppm2 2.143 CV 1 ASSI { 1} (( segid "ENHF" and resid 19 and name HE1 )) ( segid "ENHF" and resid 15 and name HD% ) 3.700 1.400 1.400 peak 1 spectrum 2 weight 0.10000E+01 volume 0.38944E-03 ppm1 8.167 ppm2 6.664 CV 1 OR { 1} (( segid "ENHF" and resid 19 and name HE1 )) ( segid "ENHF" and resid 15 and name HE% ) ASSI { 2} (( segid "ENHF" and resid 4 and name HE3 )) (( segid "ENHF" and resid 4 and name HB1 )) 3.100 0.900 0.900 peak 2 spectrum 2 weight 0.11000E+01 volume 0.23499E-02 ppm1 7.452 ppm2 3.378 CV 1 ASSI { 3} (( segid "ENHF" and resid 4 and name HE3 )) (( segid "ENHF" and resid 4 and name HB2 )) 4.000 1.600 1.600 peak 3 spectrum 2 weight 0.11000E+01 volume 0.23380E-03 ppm1 7.449 ppm2 3.136 CV 1 ASSI { 4} (( segid "ENHF" and resid 4 and name HE3 )) ( segid "ENHF" and resid 40 and name HB% ) 5.200 2.700 0.800 peak 4 spectrum 2 weight 0.10000E+01 volume 0.71880E-04 ppm1 7.448 ppm2 1.546 CV 1 ASSI { 5} (( segid "ENHF" and resid 4 and name HE3 )) ( segid "ENHF" and resid 36 and name HD2%) 4.800 2.300 1.200 peak 5 spectrum 2 weight 0.10000E+01 volume 0.15072E-03 ppm1 7.444 ppm2 0.625 CV 1 ASSI { 7} ( segid "ENHF" and resid 45 and name HD% ) ( segid "ENHF" and resid 45 and name HE% ) 2.400 0.600 0.600 peak 7 spectrum 2 weight 0.11000E+01 volume 0.50251E-02 ppm1 7.359 ppm2 7.171 CV 1 ASSI { 8} ( segid "ENHF" and resid 45 and name HD% ) (( segid "ENHF" and resid 45 and name HZ )) 3.400 1.200 1.200 peak 8 spectrum 2 weight 0.11000E+01 volume 0.13069E-02 ppm1 7.360 ppm2 7.083 CV 1 ASSI { 11} ( segid "ENHF" and resid 45 and name HD% ) ( segid "ENHF" and resid 41 and name HG2%) 4.500 2.100 1.500 peak 11 spectrum 2 weight 0.10000E+01 volume 0.11939E-03 ppm1 7.358 ppm2 0.618 CV 1 ASSI { 15} ( segid "ENHF" and resid 45 and name HE% ) ( segid "ENHF" and resid 41 and name HG2%) 3.900 1.500 1.500 peak 15 spectrum 2 weight 0.10000E+01 volume 0.30259E-03 ppm1 7.171 ppm2 0.628 CV 1 ASSI { 17} (( segid "ENHF" and resid 4 and name HH2 )) (( segid "ENHF" and resid 4 and name HZ2 )) 2.300 0.500 0.500 peak 17 spectrum 2 weight 0.10000E+01 volume 0.83752E-02 ppm1 7.031 ppm2 7.419 CV 1 ASSI { 18} ( segid "ENHF" and resid 48 and name HD% ) (( segid "ENHF" and resid 48 and name HB1 )) 2.700 0.700 0.700 peak 18 spectrum 2 weight 0.10000E+01 volume 0.22369E-02 ppm1 7.024 ppm2 2.891 CV 1 ASSI { 19} ( segid "ENHF" and resid 48 and name HD% ) ( segid "ENHF" and resid 48 and name HE% ) 2.500 0.600 0.600 peak 19 spectrum 2 weight 0.10000E+01 volume 0.44188E-02 ppm1 7.023 ppm2 7.190 CV 1 ASSI { 20} ( segid "ENHF" and resid 48 and name HD% ) (( segid "ENHF" and resid 48 and name HA )) 3.400 1.200 1.200 peak 20 spectrum 2 weight 0.10000E+01 volume 0.64516E-03 ppm1 7.022 ppm2 4.247 CV 1 ASSI { 27} ( segid "ENHF" and resid 30 and name HD% ) ( segid "ENHF" and resid 15 and name HD% ) 2.500 0.600 0.600 peak 27 spectrum 2 weight 0.10000E+01 volume 0.39148E-02 ppm1 6.444 ppm2 6.627 CV 1 ASSI { 28} ( segid "ENHF" and resid 30 and name HD% ) ( segid "ENHF" and resid 30 and name HE% ) 2.000 0.400 0.400 peak 28 spectrum 2 weight 0.11000E+01 volume 0.14244E-01 ppm1 6.444 ppm2 6.366 CV 1 ASSI { 29} ( segid "ENHF" and resid 30 and name HD% ) (( segid "ENHF" and resid 30 and name HA )) 2.400 0.600 0.600 peak 29 spectrum 2 weight 0.10000E+01 volume 0.54260E-02 ppm1 6.444 ppm2 4.004 CV 1 ASSI { 30} ( segid "ENHF" and resid 30 and name HD% ) (( segid "ENHF" and resid 30 and name HB2 )) 2.600 0.700 0.700 peak 30 spectrum 2 weight 0.11000E+01 volume 0.37184E-02 ppm1 6.442 ppm2 2.439 CV 1 ASSI { 31} ( segid "ENHF" and resid 30 and name HD% ) ( segid "ENHF" and resid 12 and name HD2%) 3.200 3.200 2.800 peak 31 spectrum 2 weight 0.11000E+01 volume 0.15309E-02 ppm1 6.444 ppm2 0.248 CV 1 ASSI { 33} ( segid "ENHF" and resid 30 and name HE% ) (( segid "ENHF" and resid 34 and name HG )) 6.000 3.600 0.000 peak 33 spectrum 2 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.357 ppm2 1.244 CV 1 ASSI { 38} ( segid "ENHF" and resid 30 and name HE% ) ( segid "ENHF" and resid 12 and name HD2%) 3.200 3.200 2.800 peak 38 spectrum 2 weight 0.11000E+01 volume 0.16873E-02 ppm1 6.352 ppm2 0.249 CV 1 ASSI { 39} ( segid "ENHF" and resid 30 and name HE% ) ( segid "ENHF" and resid 34 and name HD2%) 3.100 1.000 1.000 peak 39 spectrum 2 weight 0.10000E+01 volume 0.13655E-02 ppm1 6.347 ppm2 0.524 CV 1 ASSI { 40} ( segid "ENHF" and resid 30 and name HE% ) (( segid "ENHF" and resid 15 and name HB2 )) 3.500 1.200 1.200 peak 40 spectrum 2 weight 0.10000E+01 volume 0.61017E-03 ppm1 6.349 ppm2 3.089 CV 1 OR { 40} ( segid "ENHF" and resid 30 and name HE% ) (( segid "ENHF" and resid 15 and name HB1 )) ASSI { 41} (( segid "ENHF" and resid 4 and name HD1 )) ( segid "ENHF" and resid 36 and name HD2%) 5.800 3.400 0.200 peak 41 spectrum 2 weight 0.10000E+01 volume 0.62442E-04 ppm1 7.279 ppm2 0.630 CV 1 ASSI { 42} (( segid "ENHF" and resid 4 and name HD1 )) (( segid "ENHF" and resid 4 and name HB1 )) 3.700 1.300 1.300 peak 42 spectrum 2 weight 0.11000E+01 volume 0.37781E-03 ppm1 7.274 ppm2 3.367 CV 1 ASSI { 43} (( segid "ENHF" and resid 4 and name HD1 )) (( segid "ENHF" and resid 4 and name HB2 )) 3.200 1.000 1.000 peak 43 spectrum 2 weight 0.11000E+01 volume 0.17678E-02 ppm1 7.276 ppm2 3.137 CV 1 ASSI { 48} (( segid "ENHF" and resid 28 and name HD2 )) ( segid "ENHF" and resid 41 and name HD1%) 3.700 1.400 1.400 peak 48 spectrum 2 weight 0.10000E+01 volume 0.49763E-03 ppm1 7.169 ppm2 0.507 CV 1 ASSI { 49} (( segid "ENHF" and resid 28 and name HD2 )) ( segid "ENHF" and resid 41 and name HG2%) 3.000 0.900 0.900 peak 49 spectrum 2 weight 0.10000E+01 volume 0.17482E-02 ppm1 7.165 ppm2 0.623 CV 1 ASSI { 51} (( segid "ENHF" and resid 19 and name HD2 )) (( segid "ENHF" and resid 19 and name HB1 )) 3.500 1.200 1.200 peak 51 spectrum 2 weight 0.11000E+01 volume 0.65140E-03 ppm1 6.869 ppm2 2.970 CV 1 ASSI { 52} (( segid "ENHF" and resid 19 and name HD2 )) (( segid "ENHF" and resid 19 and name HB2 )) 6.000 4.100 0.000 peak 52 spectrum 2 weight 0.11000E+01 volume 0.23326E-04 ppm1 6.866 ppm2 2.521 CV 1 ASSI { 57} ( segid "ENHF" and resid 45 and name HD% ) ( segid "ENHF" and resid 27 and name HD1%) 5.600 3.200 0.400 peak 57 spectrum 2 weight 0.10000E+01 volume 0.49917E-04 ppm1 7.360 ppm2 0.817 CV 1 ASSI { 58} ( segid "ENHF" and resid 15 and name HD% ) ( segid "ENHF" and resid 22 and name HG2%) 6.000 4.000 0.000 peak 58 spectrum 2 weight 0.10000E+01 volume 0.15826E-04 ppm1 6.643 ppm2 0.834 CV 1 ASSI { 61} (( segid "ENHF" and resid 4 and name HD1 )) (( segid "ENHF" and resid 4 and name HA )) 6.000 4.500 0.000 peak 61 spectrum 2 weight 0.11000E+01 volume 0.21460E-04 ppm1 7.274 ppm2 4.766 CV 1 ASSI { 62} (( segid "ENHF" and resid 4 and name HD1 )) (( segid "ENHF" and resid 9 and name HA )) 5.300 2.800 0.700 peak 62 spectrum 2 weight 0.11000E+01 volume 0.60575E-04 ppm1 7.275 ppm2 3.634 CV 1 ASSI { 63} (( segid "ENHF" and resid 19 and name HD2 )) (( segid "ENHF" and resid 15 and name HB2 )) 5.200 2.700 0.800 peak 63 spectrum 2 weight 0.10000E+01 volume 0.38900E-04 ppm1 6.868 ppm2 3.096 CV 1 OR { 63} (( segid "ENHF" and resid 19 and name HD2 )) (( segid "ENHF" and resid 15 and name HB1 )) ASSI { 64} (( segid "ENHF" and resid 19 and name HD2 )) (( segid "ENHF" and resid 19 and name HA )) 5.400 2.900 0.600 peak 64 spectrum 2 weight 0.11000E+01 volume 0.53793E-04 ppm1 6.869 ppm2 4.596 CV 1 ASSI { 65} ( segid "ENHF" and resid 30 and name HE% ) ( segid "ENHF" and resid 15 and name HD% ) 2.800 0.800 0.800 peak 65 spectrum 2 weight 0.10000E+01 volume 0.23931E-02 ppm1 6.348 ppm2 6.649 CV 1 OR { 65} ( segid "ENHF" and resid 30 and name HE% ) ( segid "ENHF" and resid 15 and name HE% ) ASSI { 2} (( segid "ENHF" and resid 24 and name HN )) (( segid "ENHF" and resid 23 and name HB )) 2.300 0.500 0.500 peak 2 spectrum 3 weight 0.11000E+01 volume 0.78133E-02 ppm1 9.027 ppm2 4.702 CV 1 ASSI { 3} (( segid "ENHF" and resid 24 and name HN )) (( segid "ENHF" and resid 23 and name HA )) 2.100 0.500 0.500 peak 3 spectrum 3 weight 0.11000E+01 volume 0.11139E-01 ppm1 9.027 ppm2 4.589 CV 1 ASSI { 4} (( segid "ENHF" and resid 24 and name HN )) (( segid "ENHF" and resid 24 and name HA )) 2.800 0.800 0.800 peak 4 spectrum 3 weight 0.11000E+01 volume 0.24238E-02 ppm1 9.027 ppm2 3.823 CV 1 ASSI { 5} (( segid "ENHF" and resid 24 and name HN )) (( segid "ENHF" and resid 24 and name HG1 )) 3.800 1.400 1.400 peak 5 spectrum 3 weight 0.11000E+01 volume 0.10687E-02 ppm1 9.027 ppm2 2.217 CV 1 ASSI { 6} (( segid "ENHF" and resid 24 and name HN )) (( segid "ENHF" and resid 24 and name HB2 )) 2.200 0.500 0.500 peak 6 spectrum 3 weight 0.11000E+01 volume 0.87217E-02 ppm1 9.026 ppm2 1.978 CV 1 ASSI { 7} (( segid "ENHF" and resid 24 and name HN )) ( segid "ENHF" and resid 23 and name HG2%) 6.000 3.800 0.000 peak 7 spectrum 3 weight 0.11000E+01 volume 0.54476E-04 ppm1 9.028 ppm2 1.320 CV 1 ASSI { 8} (( segid "ENHF" and resid 6 and name HN )) (( segid "ENHF" and resid 7 and name HN )) 2.800 0.800 0.800 peak 8 spectrum 3 weight 0.11000E+01 volume 0.24935E-02 ppm1 8.808 ppm2 8.443 CV 1 ASSI { 10} (( segid "ENHF" and resid 6 and name HN )) (( segid "ENHF" and resid 5 and name HA )) 2.400 0.600 0.600 peak 10 spectrum 3 weight 0.11000E+01 volume 0.60175E-02 ppm1 8.808 ppm2 4.401 CV 1 ASSI { 11} (( segid "ENHF" and resid 6 and name HN )) (( segid "ENHF" and resid 6 and name HA )) 2.400 0.600 0.600 peak 11 spectrum 3 weight 0.10000E+01 volume 0.66327E-02 ppm1 8.809 ppm2 4.168 CV 1 ASSI { 12} (( segid "ENHF" and resid 6 and name HN )) (( segid "ENHF" and resid 5 and name HB2 )) 6.000 4.100 0.000 peak 12 spectrum 3 weight 0.11000E+01 volume 0.40679E-04 ppm1 8.807 ppm2 3.914 CV 1 ASSI { 13} (( segid "ENHF" and resid 6 and name HN )) (( segid "ENHF" and resid 6 and name HG2 )) 3.700 1.400 1.400 peak 13 spectrum 3 weight 0.11000E+01 volume 0.13484E-02 ppm1 8.809 ppm2 2.359 CV 1 ASSI { 14} (( segid "ENHF" and resid 6 and name HN )) (( segid "ENHF" and resid 6 and name HB2 )) 2.300 0.500 0.500 peak 14 spectrum 3 weight 0.11000E+01 volume 0.61606E-02 ppm1 8.809 ppm2 2.048 CV 1 ASSI { 15} (( segid "ENHF" and resid 25 and name HN )) (( segid "ENHF" and resid 24 and name HN )) 2.800 0.800 0.800 peak 15 spectrum 3 weight 0.11000E+01 volume 0.23286E-02 ppm1 8.779 ppm2 9.025 CV 1 ASSI { 16} (( segid "ENHF" and resid 25 and name HN )) (( segid "ENHF" and resid 27 and name HN )) 5.600 3.100 0.400 peak 16 spectrum 3 weight 0.11000E+01 volume 0.41132E-04 ppm1 8.781 ppm2 8.192 CV 1 ASSI { 18} (( segid "ENHF" and resid 25 and name HN )) (( segid "ENHF" and resid 26 and name HN )) 2.800 0.800 0.800 peak 18 spectrum 3 weight 0.11000E+01 volume 0.26177E-02 ppm1 8.780 ppm2 7.757 CV 1 ASSI { 19} (( segid "ENHF" and resid 25 and name HN )) (( segid "ENHF" and resid 23 and name HB )) 2.700 0.700 0.700 peak 19 spectrum 3 weight 0.11000E+01 volume 0.25078E-02 ppm1 8.780 ppm2 4.701 CV 1 ASSI { 20} (( segid "ENHF" and resid 25 and name HN )) (( segid "ENHF" and resid 23 and name HA )) 6.000 3.600 0.000 peak 20 spectrum 3 weight 0.11000E+01 volume 0.00000E+00 ppm1 8.780 ppm2 4.578 CV 1 ASSI { 21} (( segid "ENHF" and resid 25 and name HN )) (( segid "ENHF" and resid 25 and name HA )) 2.800 0.800 0.800 peak 21 spectrum 3 weight 0.11000E+01 volume 0.27419E-02 ppm1 8.779 ppm2 4.073 CV 1 ASSI { 22} (( segid "ENHF" and resid 25 and name HN )) (( segid "ENHF" and resid 24 and name HA )) 4.400 1.900 1.600 peak 22 spectrum 3 weight 0.11000E+01 volume 0.17644E-03 ppm1 8.780 ppm2 3.829 CV 1 ASSI { 25} (( segid "ENHF" and resid 25 and name HN )) (( segid "ENHF" and resid 25 and name HB1 )) 2.300 0.600 0.600 peak 25 spectrum 3 weight 0.11000E+01 volume 0.62732E-02 ppm1 8.781 ppm2 2.060 CV 1 ASSI { 26} (( segid "ENHF" and resid 25 and name HN )) (( segid "ENHF" and resid 25 and name HB2 )) 2.400 0.600 0.600 peak 26 spectrum 3 weight 0.10000E+01 volume 0.52659E-02 ppm1 8.779 ppm2 1.920 CV 1 ASSI { 28} (( segid "ENHF" and resid 38 and name HN )) (( segid "ENHF" and resid 37 and name HA )) 2.400 0.600 0.600 peak 28 spectrum 3 weight 0.11000E+01 volume 0.59438E-02 ppm1 8.742 ppm2 4.637 CV 1 ASSI { 29} (( segid "ENHF" and resid 38 and name HN )) (( segid "ENHF" and resid 38 and name HA )) 3.200 1.000 1.000 peak 29 spectrum 3 weight 0.11000E+01 volume 0.10201E-02 ppm1 8.740 ppm2 3.819 CV 1 ASSI { 30} (( segid "ENHF" and resid 38 and name HN )) (( segid "ENHF" and resid 37 and name HB1 )) 3.800 3.800 2.200 peak 30 spectrum 3 weight 0.11000E+01 volume 0.13576E-02 ppm1 8.742 ppm2 3.186 CV 1 ASSI { 31} (( segid "ENHF" and resid 38 and name HN )) (( segid "ENHF" and resid 38 and name HG1 )) 3.200 1.000 1.000 peak 31 spectrum 3 weight 0.10000E+01 volume 0.99046E-03 ppm1 8.741 ppm2 2.344 CV 1 OR { 31} (( segid "ENHF" and resid 38 and name HN )) (( segid "ENHF" and resid 38 and name HG2 )) ASSI { 32} (( segid "ENHF" and resid 38 and name HN )) (( segid "ENHF" and resid 38 and name HB2 )) 2.400 0.600 0.600 peak 32 spectrum 3 weight 0.11000E+01 volume 0.52534E-02 ppm1 8.742 ppm2 2.035 CV 1 ASSI { 34} (( segid "ENHF" and resid 28 and name HN )) (( segid "ENHF" and resid 27 and name HN )) 2.400 0.600 0.600 peak 34 spectrum 3 weight 0.11000E+01 volume 0.53565E-02 ppm1 8.703 ppm2 8.195 CV 1 ASSI { 35} (( segid "ENHF" and resid 28 and name HN )) (( segid "ENHF" and resid 28 and name HA )) 2.600 0.700 0.700 peak 35 spectrum 3 weight 0.10000E+01 volume 0.35106E-02 ppm1 8.703 ppm2 4.067 CV 1 ASSI { 36} (( segid "ENHF" and resid 28 and name HN )) (( segid "ENHF" and resid 28 and name HB2 )) 2.300 0.500 0.500 peak 36 spectrum 3 weight 0.11000E+01 volume 0.73302E-02 ppm1 8.702 ppm2 3.386 CV 1 ASSI { 37} (( segid "ENHF" and resid 28 and name HN )) (( segid "ENHF" and resid 27 and name HB1 )) 2.800 0.800 0.800 peak 37 spectrum 3 weight 0.11000E+01 volume 0.17281E-02 ppm1 8.703 ppm2 1.831 CV 1 ASSI { 38} (( segid "ENHF" and resid 28 and name HN )) (( segid "ENHF" and resid 27 and name HB2 )) 6.000 4.100 0.000 peak 38 spectrum 3 weight 0.10000E+01 volume 0.43626E-04 ppm1 8.706 ppm2 1.602 CV 1 ASSI { 40} (( segid "ENHF" and resid 45 and name HN )) (( segid "ENHF" and resid 46 and name HN )) 2.400 0.600 0.600 peak 40 spectrum 3 weight 0.11000E+01 volume 0.48052E-02 ppm1 8.491 ppm2 8.173 CV 1 ASSI { 42} (( segid "ENHF" and resid 45 and name HN )) ( segid "ENHF" and resid 45 and name HD% ) 2.900 0.900 0.900 peak 42 spectrum 3 weight 0.11000E+01 volume 0.15179E-02 ppm1 8.492 ppm2 7.363 CV 1 ASSI { 43} (( segid "ENHF" and resid 45 and name HN )) ( segid "ENHF" and resid 44 and name HD% ) 5.000 2.500 1.000 peak 43 spectrum 3 weight 0.10000E+01 volume 0.12439E-03 ppm1 8.491 ppm2 6.461 CV 1 ASSI { 46} (( segid "ENHF" and resid 45 and name HN )) (( segid "ENHF" and resid 45 and name HB1 )) 3.300 1.100 1.100 peak 46 spectrum 3 weight 0.11000E+01 volume 0.29065E-02 ppm1 8.491 ppm2 3.288 CV 1 ASSI { 47} (( segid "ENHF" and resid 45 and name HN )) (( segid "ENHF" and resid 45 and name HB2 )) 2.200 0.500 0.500 peak 47 spectrum 3 weight 0.11000E+01 volume 0.83473E-02 ppm1 8.491 ppm2 3.180 CV 1 ASSI { 48} (( segid "ENHF" and resid 45 and name HN )) (( segid "ENHF" and resid 44 and name HB1 )) 2.400 0.600 0.600 peak 48 spectrum 3 weight 0.11000E+01 volume 0.42080E-02 ppm1 8.490 ppm2 2.939 CV 1 ASSI { 50} (( segid "ENHF" and resid 7 and name HN )) (( segid "ENHF" and resid 8 and name HN )) 2.700 0.700 0.700 peak 50 spectrum 3 weight 0.10000E+01 volume 0.27114E-02 ppm1 8.447 ppm2 7.721 CV 1 ASSI { 51} (( segid "ENHF" and resid 7 and name HN )) (( segid "ENHF" and resid 7 and name HA )) 2.600 0.700 0.700 peak 51 spectrum 3 weight 0.11000E+01 volume 0.37391E-02 ppm1 8.446 ppm2 4.506 CV 1 ASSI { 52} (( segid "ENHF" and resid 7 and name HN )) (( segid "ENHF" and resid 5 and name HA )) 6.000 3.600 0.000 peak 52 spectrum 3 weight 0.11000E+01 volume 0.37329E-04 ppm1 8.448 ppm2 4.401 CV 1 ASSI { 54} (( segid "ENHF" and resid 7 and name HN )) (( segid "ENHF" and resid 7 and name HB1 )) 2.400 0.600 0.600 peak 54 spectrum 3 weight 0.10000E+01 volume 0.76110E-02 ppm1 8.446 ppm2 2.775 CV 1 OR { 54} (( segid "ENHF" and resid 7 and name HN )) (( segid "ENHF" and resid 7 and name HB2 )) ASSI { 56} (( segid "ENHF" and resid 7 and name HN )) (( segid "ENHF" and resid 6 and name HB1 )) 2.700 0.700 0.700 peak 56 spectrum 3 weight 0.10000E+01 volume 0.35095E-02 ppm1 8.446 ppm2 2.056 CV 1 OR { 56} (( segid "ENHF" and resid 7 and name HN )) (( segid "ENHF" and resid 6 and name HB2 )) ASSI { 57} (( segid "ENHF" and resid 21 and name HN )) (( segid "ENHF" and resid 22 and name HN )) 4.700 2.200 1.300 peak 57 spectrum 3 weight 0.11000E+01 volume 0.35042E-03 ppm1 8.443 ppm2 7.928 CV 1 ASSI { 58} (( segid "ENHF" and resid 21 and name HN )) (( segid "ENHF" and resid 21 and name HA )) 2.700 0.700 0.700 peak 58 spectrum 3 weight 0.11000E+01 volume 0.25962E-02 ppm1 8.442 ppm2 4.401 CV 1 ASSI { 59} (( segid "ENHF" and resid 21 and name HN )) (( segid "ENHF" and resid 20 and name HA )) 2.700 0.700 0.700 peak 59 spectrum 3 weight 0.11000E+01 volume 0.30416E-02 ppm1 8.442 ppm2 4.181 CV 1 ASSI { 60} (( segid "ENHF" and resid 21 and name HN )) (( segid "ENHF" and resid 20 and name HB2 )) 5.000 2.500 1.000 peak 60 spectrum 3 weight 0.10000E+01 volume 0.90480E-04 ppm1 8.444 ppm2 1.949 CV 1 ASSI { 61} (( segid "ENHF" and resid 21 and name HN )) (( segid "ENHF" and resid 21 and name HB1 )) 5.100 2.600 0.900 peak 61 spectrum 3 weight 0.11000E+01 volume 0.10464E-03 ppm1 8.441 ppm2 1.866 CV 1 ASSI { 62} (( segid "ENHF" and resid 21 and name HN )) (( segid "ENHF" and resid 21 and name HB2 )) 3.000 0.900 0.900 peak 62 spectrum 3 weight 0.11000E+01 volume 0.18382E-02 ppm1 8.443 ppm2 1.721 CV 1 ASSI { 63} (( segid "ENHF" and resid 21 and name HN )) (( segid "ENHF" and resid 20 and name HB1 )) 6.000 3.800 0.000 peak 63 spectrum 3 weight 0.11000E+01 volume 0.35463E-04 ppm1 8.439 ppm2 2.072 CV 1 ASSI { 64} (( segid "ENHF" and resid 39 and name HN )) (( segid "ENHF" and resid 38 and name HN )) 2.700 0.700 0.700 peak 64 spectrum 3 weight 0.11000E+01 volume 0.27094E-02 ppm1 8.423 ppm2 8.741 CV 1 ASSI { 65} (( segid "ENHF" and resid 39 and name HN )) (( segid "ENHF" and resid 40 and name HN )) 2.300 0.500 0.500 peak 65 spectrum 3 weight 0.10000E+01 volume 0.81520E-02 ppm1 8.423 ppm2 8.069 CV 1 ASSI { 66} (( segid "ENHF" and resid 39 and name HN )) (( segid "ENHF" and resid 39 and name HA )) 2.600 0.700 0.700 peak 66 spectrum 3 weight 0.11000E+01 volume 0.38935E-02 ppm1 8.423 ppm2 4.101 CV 1 ASSI { 67} (( segid "ENHF" and resid 39 and name HN )) (( segid "ENHF" and resid 38 and name HA )) 4.800 2.300 1.200 peak 67 spectrum 3 weight 0.10000E+01 volume 0.87775E-04 ppm1 8.423 ppm2 3.817 CV 1 ASSI { 70} (( segid "ENHF" and resid 44 and name HN )) (( segid "ENHF" and resid 45 and name HN )) 2.600 0.700 0.700 peak 70 spectrum 3 weight 0.11000E+01 volume 0.31463E-02 ppm1 8.365 ppm2 8.481 CV 1 ASSI { 74} (( segid "ENHF" and resid 44 and name HN )) (( segid "ENHF" and resid 41 and name HA )) 4.400 1.900 1.600 peak 74 spectrum 3 weight 0.11000E+01 volume 0.17785E-03 ppm1 8.365 ppm2 3.459 CV 1 ASSI { 75} (( segid "ENHF" and resid 44 and name HN )) (( segid "ENHF" and resid 44 and name HB1 )) 2.800 0.800 0.800 peak 75 spectrum 3 weight 0.11000E+01 volume 0.36376E-02 ppm1 8.363 ppm2 2.936 CV 1 ASSI { 76} (( segid "ENHF" and resid 44 and name HN )) (( segid "ENHF" and resid 44 and name HB2 )) 2.600 0.700 0.700 peak 76 spectrum 3 weight 0.11000E+01 volume 0.32496E-02 ppm1 8.364 ppm2 2.787 CV 1 ASSI { 77} (( segid "ENHF" and resid 44 and name HN )) (( segid "ENHF" and resid 43 and name HB1 )) 2.900 0.800 0.800 peak 77 spectrum 3 weight 0.11000E+01 volume 0.16111E-02 ppm1 8.364 ppm2 2.232 CV 1 ASSI { 78} (( segid "ENHF" and resid 20 and name HN )) (( segid "ENHF" and resid 19 and name HA )) 2.500 0.600 0.600 peak 78 spectrum 3 weight 0.11000E+01 volume 0.50992E-02 ppm1 8.357 ppm2 4.556 CV 1 ASSI { 79} (( segid "ENHF" and resid 20 and name HN )) (( segid "ENHF" and resid 20 and name HA )) 2.900 0.900 0.900 peak 79 spectrum 3 weight 0.11000E+01 volume 0.19635E-02 ppm1 8.358 ppm2 4.184 CV 1 ASSI { 80} (( segid "ENHF" and resid 20 and name HN )) (( segid "ENHF" and resid 20 and name HG2 )) 3.200 1.000 1.000 peak 80 spectrum 3 weight 0.11000E+01 volume 0.11652E-02 ppm1 8.357 ppm2 2.353 CV 1 ASSI { 81} (( segid "ENHF" and resid 20 and name HN )) (( segid "ENHF" and resid 20 and name HB1 )) 3.800 1.500 1.500 peak 81 spectrum 3 weight 0.11000E+01 volume 0.73152E-03 ppm1 8.357 ppm2 2.066 CV 1 ASSI { 82} (( segid "ENHF" and resid 20 and name HN )) (( segid "ENHF" and resid 20 and name HB2 )) 2.700 0.700 0.700 peak 82 spectrum 3 weight 0.11000E+01 volume 0.27648E-02 ppm1 8.358 ppm2 1.953 CV 1 ASSI { 83} (( segid "ENHF" and resid 37 and name HN )) (( segid "ENHF" and resid 37 and name HA )) 2.700 0.700 0.700 peak 83 spectrum 3 weight 0.10000E+01 volume 0.25824E-02 ppm1 8.323 ppm2 4.630 CV 1 ASSI { 84} (( segid "ENHF" and resid 37 and name HN )) (( segid "ENHF" and resid 36 and name HA )) 2.000 0.400 0.400 peak 84 spectrum 3 weight 0.11000E+01 volume 0.16126E-01 ppm1 8.324 ppm2 4.407 CV 1 ASSI { 85} (( segid "ENHF" and resid 37 and name HN )) (( segid "ENHF" and resid 36 and name HB1 )) 2.500 0.600 0.600 peak 85 spectrum 3 weight 0.10000E+01 volume 0.26643E-02 ppm1 8.323 ppm2 1.417 CV 1 ASSI { 86} (( segid "ENHF" and resid 37 and name HN )) (( segid "ENHF" and resid 37 and name HD21)) 4.900 2.400 1.100 peak 86 spectrum 3 weight 0.10000E+01 volume 0.35812E-04 ppm1 8.322 ppm2 7.700 CV 1 ASSI { 87} (( segid "ENHF" and resid 37 and name HN )) (( segid "ENHF" and resid 37 and name HB1 )) 3.100 0.900 0.900 peak 87 spectrum 3 weight 0.11000E+01 volume 0.13797E-02 ppm1 8.323 ppm2 3.183 CV 1 ASSI { 88} (( segid "ENHF" and resid 37 and name HN )) ( segid "ENHF" and resid 36 and name HD2%) 5.300 2.800 0.700 peak 88 spectrum 3 weight 0.10000E+01 volume 0.10739E-03 ppm1 8.323 ppm2 0.605 CV 1 ASSI { 91} (( segid "ENHF" and resid 5 and name HN )) (( segid "ENHF" and resid 6 and name HN )) 5.400 2.900 0.600 peak 91 spectrum 3 weight 0.11000E+01 volume 0.10892E-03 ppm1 8.319 ppm2 8.810 CV 1 ASSI { 92} (( segid "ENHF" and resid 5 and name HN )) (( segid "ENHF" and resid 4 and name HA )) 2.200 0.500 0.500 peak 92 spectrum 3 weight 0.11000E+01 volume 0.92938E-02 ppm1 8.319 ppm2 4.769 CV 1 ASSI { 93} (( segid "ENHF" and resid 5 and name HN )) (( segid "ENHF" and resid 5 and name HA )) 2.600 0.700 0.700 peak 93 spectrum 3 weight 0.11000E+01 volume 0.32005E-02 ppm1 8.318 ppm2 4.392 CV 1 ASSI { 94} (( segid "ENHF" and resid 5 and name HN )) (( segid "ENHF" and resid 5 and name HB1 )) 3.400 1.200 1.200 peak 94 spectrum 3 weight 0.10000E+01 volume 0.15843E-02 ppm1 8.320 ppm2 4.156 CV 1 ASSI { 95} (( segid "ENHF" and resid 5 and name HN )) (( segid "ENHF" and resid 5 and name HB2 )) 2.400 0.600 0.600 peak 95 spectrum 3 weight 0.11000E+01 volume 0.37288E-02 ppm1 8.319 ppm2 3.919 CV 1 ASSI { 96} (( segid "ENHF" and resid 5 and name HN )) (( segid "ENHF" and resid 4 and name HB1 )) 3.400 1.200 1.200 peak 96 spectrum 3 weight 0.11000E+01 volume 0.17006E-02 ppm1 8.318 ppm2 3.370 CV 1 ASSI { 97} (( segid "ENHF" and resid 5 and name HN )) (( segid "ENHF" and resid 4 and name HB2 )) 2.500 0.600 0.600 peak 97 spectrum 3 weight 0.11000E+01 volume 0.36987E-02 ppm1 8.319 ppm2 3.120 CV 1 ASSI { 98} (( segid "ENHF" and resid 5 and name HN )) (( segid "ENHF" and resid 8 and name HB )) 3.000 0.900 0.900 peak 98 spectrum 3 weight 0.10000E+01 volume 0.15387E-02 ppm1 8.319 ppm2 2.100 CV 1 ASSI { 99} (( segid "ENHF" and resid 5 and name HN )) ( segid "ENHF" and resid 8 and name HG2%) 4.100 1.700 1.700 peak 99 spectrum 3 weight 0.11000E+01 volume 0.36642E-03 ppm1 8.319 ppm2 0.949 CV 1 ASSI { 100} (( segid "ENHF" and resid 5 and name HN )) (( segid "ENHF" and resid 8 and name HN )) 6.000 3.700 0.000 peak 100 spectrum 3 weight 0.11000E+01 volume 0.34991E-04 ppm1 8.317 ppm2 7.729 CV 1 ASSI { 101} (( segid "ENHF" and resid 23 and name HN )) (( segid "ENHF" and resid 22 and name HB )) 5.400 3.000 0.600 peak 101 spectrum 3 weight 0.10000E+01 volume 0.11544E-03 ppm1 8.319 ppm2 1.863 CV 1 ASSI { 102} (( segid "ENHF" and resid 23 and name HN )) (( segid "ENHF" and resid 22 and name HG11)) 5.500 3.000 0.500 peak 102 spectrum 3 weight 0.10000E+01 volume 0.36963E-04 ppm1 8.317 ppm2 1.518 CV 1 ASSI { 103} (( segid "ENHF" and resid 23 and name HN )) (( segid "ENHF" and resid 23 and name HA )) 3.900 1.500 1.500 peak 103 spectrum 3 weight 0.11000E+01 volume 0.30887E-03 ppm1 8.313 ppm2 4.580 CV 1 ASSI { 104} (( segid "ENHF" and resid 23 and name HN )) (( segid "ENHF" and resid 22 and name HA )) 2.300 0.500 0.500 peak 104 spectrum 3 weight 0.10000E+01 volume 0.63731E-02 ppm1 8.315 ppm2 4.372 CV 1 ASSI { 105} (( segid "ENHF" and resid 23 and name HN )) ( segid "ENHF" and resid 23 and name HG2%) 3.200 1.000 1.000 peak 105 spectrum 3 weight 0.11000E+01 volume 0.10867E-02 ppm1 8.313 ppm2 1.319 CV 1 ASSI { 106} (( segid "ENHF" and resid 23 and name HN )) (( segid "ENHF" and resid 26 and name HB1 )) 3.500 1.200 1.200 peak 106 spectrum 3 weight 0.10000E+01 volume 0.91759E-03 ppm1 8.311 ppm2 2.286 CV 1 OR { 106} (( segid "ENHF" and resid 23 and name HN )) (( segid "ENHF" and resid 26 and name HG1 )) OR { 106} (( segid "ENHF" and resid 23 and name HN )) (( segid "ENHF" and resid 26 and name HG2 )) ASSI { 107} (( segid "ENHF" and resid 23 and name HN )) (( segid "ENHF" and resid 22 and name HG12)) 5.600 3.100 0.400 peak 107 spectrum 3 weight 0.11000E+01 volume 0.36108E-04 ppm1 8.310 ppm2 1.205 CV 1 ASSI { 110} (( segid "ENHF" and resid 31 and name HN )) (( segid "ENHF" and resid 33 and name HN )) 4.800 2.300 1.200 peak 110 spectrum 3 weight 0.11000E+01 volume 0.10804E-03 ppm1 8.295 ppm2 7.804 CV 1 ASSI { 111} (( segid "ENHF" and resid 31 and name HN )) ( segid "ENHF" and resid 30 and name HD% ) 6.000 3.800 0.000 peak 111 spectrum 3 weight 0.11000E+01 volume 0.36841E-04 ppm1 8.293 ppm2 6.430 CV 1 ASSI { 112} (( segid "ENHF" and resid 31 and name HN )) (( segid "ENHF" and resid 31 and name HA )) 2.800 0.800 0.800 peak 112 spectrum 3 weight 0.11000E+01 volume 0.21957E-02 ppm1 8.291 ppm2 3.521 CV 1 ASSI { 113} (( segid "ENHF" and resid 31 and name HN )) (( segid "ENHF" and resid 30 and name HB1 )) 3.500 1.200 1.200 peak 113 spectrum 3 weight 0.11000E+01 volume 0.62826E-03 ppm1 8.292 ppm2 2.730 CV 1 ASSI { 114} (( segid "ENHF" and resid 31 and name HN )) (( segid "ENHF" and resid 30 and name HB2 )) 3.100 1.000 1.000 peak 114 spectrum 3 weight 0.11000E+01 volume 0.31250E-02 ppm1 8.291 ppm2 2.433 CV 1 ASSI { 117} (( segid "ENHF" and resid 13 and name HN )) (( segid "ENHF" and resid 14 and name HN )) 2.500 0.600 0.600 peak 117 spectrum 3 weight 0.10000E+01 volume 0.44346E-02 ppm1 8.290 ppm2 8.023 CV 1 ASSI { 119} (( segid "ENHF" and resid 13 and name HN )) (( segid "ENHF" and resid 13 and name HA )) 2.600 0.700 0.700 peak 119 spectrum 3 weight 0.11000E+01 volume 0.35576E-02 ppm1 8.286 ppm2 3.876 CV 1 ASSI { 120} (( segid "ENHF" and resid 13 and name HN )) (( segid "ENHF" and resid 13 and name HB1 )) 2.300 0.600 0.600 peak 120 spectrum 3 weight 0.10000E+01 volume 0.59403E-02 ppm1 8.288 ppm2 1.960 CV 1 ASSI { 121} (( segid "ENHF" and resid 13 and name HN )) (( segid "ENHF" and resid 13 and name HB2 )) 2.800 0.800 0.800 peak 121 spectrum 3 weight 0.11000E+01 volume 0.23937E-02 ppm1 8.288 ppm2 1.854 CV 1 ASSI { 122} (( segid "ENHF" and resid 13 and name HN )) (( segid "ENHF" and resid 13 and name HG1 )) 2.900 2.900 3.100 peak 122 spectrum 3 weight 0.10000E+01 volume 0.52810E-02 ppm1 8.288 ppm2 1.727 CV 1 OR { 122} (( segid "ENHF" and resid 13 and name HN )) (( segid "ENHF" and resid 13 and name HD1 )) ASSI { 123} (( segid "ENHF" and resid 13 and name HN )) (( segid "ENHF" and resid 12 and name HB1 )) 2.400 0.600 0.600 peak 123 spectrum 3 weight 0.10000E+01 volume 0.41223E-02 ppm1 8.289 ppm2 1.374 CV 1 ASSI { 124} (( segid "ENHF" and resid 13 and name HN )) (( segid "ENHF" and resid 14 and name HB2 )) 6.000 3.900 0.000 peak 124 spectrum 3 weight 0.11000E+01 volume 0.39038E-04 ppm1 8.285 ppm2 2.087 CV 1 ASSI { 125} (( segid "ENHF" and resid 13 and name HN )) (( segid "ENHF" and resid 12 and name HB2 )) 4.000 1.600 1.600 peak 125 spectrum 3 weight 0.11000E+01 volume 0.81535E-03 ppm1 8.285 ppm2 1.015 CV 1 ASSI { 126} (( segid "ENHF" and resid 9 and name HN )) (( segid "ENHF" and resid 7 and name HN )) 5.800 3.400 0.200 peak 126 spectrum 3 weight 0.11000E+01 volume 0.41620E-04 ppm1 8.272 ppm2 8.466 CV 1 ASSI { 127} (( segid "ENHF" and resid 9 and name HN )) (( segid "ENHF" and resid 10 and name HN )) 2.700 0.700 0.700 peak 127 spectrum 3 weight 0.11000E+01 volume 0.26981E-02 ppm1 8.269 ppm2 8.133 CV 1 ASSI { 129} (( segid "ENHF" and resid 9 and name HN )) (( segid "ENHF" and resid 9 and name HB2 )) 2.100 0.400 0.400 peak 129 spectrum 3 weight 0.10000E+01 volume 0.14814E-01 ppm1 8.268 ppm2 2.258 CV 1 OR { 129} (( segid "ENHF" and resid 9 and name HN )) (( segid "ENHF" and resid 9 and name HB1 )) ASSI { 130} (( segid "ENHF" and resid 9 and name HN )) (( segid "ENHF" and resid 8 and name HB )) 2.700 0.700 0.700 peak 130 spectrum 3 weight 0.10000E+01 volume 0.27218E-02 ppm1 8.269 ppm2 2.101 CV 1 ASSI { 131} (( segid "ENHF" and resid 9 and name HN )) ( segid "ENHF" and resid 8 and name HG2%) 5.200 2.700 0.800 peak 131 spectrum 3 weight 0.11000E+01 volume 0.15247E-03 ppm1 8.271 ppm2 0.942 CV 1 ASSI { 132} (( segid "ENHF" and resid 9 and name HN )) (( segid "ENHF" and resid 8 and name HN )) 2.400 0.600 0.600 peak 132 spectrum 3 weight 0.10000E+01 volume 0.54098E-02 ppm1 8.268 ppm2 7.726 CV 1 ASSI { 133} (( segid "ENHF" and resid 9 and name HN )) (( segid "ENHF" and resid 4 and name HD1 )) 4.500 2.100 1.500 peak 133 spectrum 3 weight 0.11000E+01 volume 0.18570E-03 ppm1 8.268 ppm2 7.269 CV 1 ASSI { 134} (( segid "ENHF" and resid 9 and name HN )) (( segid "ENHF" and resid 7 and name HA )) 5.700 3.300 0.300 peak 134 spectrum 3 weight 0.11000E+01 volume 0.39440E-04 ppm1 8.265 ppm2 4.512 CV 1 ASSI { 135} (( segid "ENHF" and resid 9 and name HN )) (( segid "ENHF" and resid 9 and name HA )) 2.800 0.800 0.800 peak 135 spectrum 3 weight 0.11000E+01 volume 0.22271E-02 ppm1 8.267 ppm2 3.634 CV 1 ASSI { 136} (( segid "ENHF" and resid 9 and name HN )) (( segid "ENHF" and resid 8 and name HA )) 3.700 1.300 1.300 peak 136 spectrum 3 weight 0.11000E+01 volume 0.53527E-03 ppm1 8.268 ppm2 3.513 CV 1 ASSI { 139} (( segid "ENHF" and resid 12 and name HN )) (( segid "ENHF" and resid 9 and name HA )) 4.200 1.800 1.800 peak 139 spectrum 3 weight 0.11000E+01 volume 0.24758E-03 ppm1 8.269 ppm2 3.628 CV 1 ASSI { 140} (( segid "ENHF" and resid 12 and name HN )) ( segid "ENHF" and resid 12 and name HD1%) 6.000 3.900 0.000 peak 140 spectrum 3 weight 0.11000E+01 volume 0.50220E-04 ppm1 8.269 ppm2 0.233 CV 1 ASSI { 147} (( segid "ENHF" and resid 12 and name HN )) (( segid "ENHF" and resid 12 and name HB1 )) 2.400 0.600 0.600 peak 147 spectrum 3 weight 0.10000E+01 volume 0.61322E-02 ppm1 8.267 ppm2 1.380 CV 1 ASSI { 149} (( segid "ENHF" and resid 12 and name HN )) (( segid "ENHF" and resid 12 and name HB2 )) 2.800 0.800 0.800 peak 149 spectrum 3 weight 0.11000E+01 volume 0.17213E-02 ppm1 8.267 ppm2 1.014 CV 1 ASSI { 155} (( segid "ENHF" and resid 27 and name HN )) (( segid "ENHF" and resid 24 and name HA )) 4.800 2.300 1.200 peak 155 spectrum 3 weight 0.11000E+01 volume 0.13550E-03 ppm1 8.217 ppm2 3.815 CV 1 ASSI { 156} (( segid "ENHF" and resid 27 and name HN )) (( segid "ENHF" and resid 26 and name HB1 )) 3.100 1.000 1.000 peak 156 spectrum 3 weight 0.10000E+01 volume 0.14234E-02 ppm1 8.219 ppm2 2.288 CV 1 OR { 156} (( segid "ENHF" and resid 27 and name HN )) (( segid "ENHF" and resid 26 and name HG1 )) OR { 156} (( segid "ENHF" and resid 27 and name HN )) (( segid "ENHF" and resid 26 and name HG2 )) ASSI { 158} (( segid "ENHF" and resid 27 and name HN )) (( segid "ENHF" and resid 27 and name HB1 )) 2.500 0.600 0.600 peak 158 spectrum 3 weight 0.11000E+01 volume 0.49096E-02 ppm1 8.219 ppm2 1.839 CV 1 ASSI { 159} (( segid "ENHF" and resid 27 and name HN )) (( segid "ENHF" and resid 27 and name HB2 )) 2.300 0.500 0.500 peak 159 spectrum 3 weight 0.10000E+01 volume 0.63916E-02 ppm1 8.218 ppm2 1.612 CV 1 ASSI { 160} (( segid "ENHF" and resid 16 and name HN )) (( segid "ENHF" and resid 15 and name HA )) 5.500 3.000 0.500 peak 160 spectrum 3 weight 0.11000E+01 volume 0.42178E-04 ppm1 8.220 ppm2 4.096 CV 1 ASSI { 162} (( segid "ENHF" and resid 16 and name HN )) (( segid "ENHF" and resid 15 and name HN )) 2.500 0.600 0.600 peak 162 spectrum 3 weight 0.10000E+01 volume 0.41406E-02 ppm1 8.217 ppm2 7.995 CV 1 ASSI { 163} (( segid "ENHF" and resid 16 and name HN )) (( segid "ENHF" and resid 17 and name HN )) 2.700 0.700 0.700 peak 163 spectrum 3 weight 0.11000E+01 volume 0.27677E-02 ppm1 8.218 ppm2 7.730 CV 1 ASSI { 164} (( segid "ENHF" and resid 16 and name HN )) ( segid "ENHF" and resid 15 and name HD% ) 6.000 3.600 0.000 peak 164 spectrum 3 weight 0.11000E+01 volume 0.45824E-04 ppm1 8.217 ppm2 6.640 CV 1 ASSI { 166} (( segid "ENHF" and resid 16 and name HN )) (( segid "ENHF" and resid 13 and name HA )) 3.800 1.500 1.500 peak 166 spectrum 3 weight 0.11000E+01 volume 0.35963E-03 ppm1 8.217 ppm2 3.878 CV 1 ASSI { 167} (( segid "ENHF" and resid 16 and name HN )) (( segid "ENHF" and resid 16 and name HA )) 2.700 0.700 0.700 peak 167 spectrum 3 weight 0.11000E+01 volume 0.28198E-02 ppm1 8.216 ppm2 3.560 CV 1 ASSI { 168} (( segid "ENHF" and resid 16 and name HN )) (( segid "ENHF" and resid 15 and name HB2 )) 2.900 0.800 0.800 peak 168 spectrum 3 weight 0.11000E+01 volume 0.48023E-02 ppm1 8.217 ppm2 3.080 CV 1 ASSI { 169} (( segid "ENHF" and resid 16 and name HN )) (( segid "ENHF" and resid 16 and name HB )) 2.300 0.500 0.500 peak 169 spectrum 3 weight 0.11000E+01 volume 0.63965E-02 ppm1 8.217 ppm2 2.130 CV 1 ASSI { 170} (( segid "ENHF" and resid 16 and name HN )) ( segid "ENHF" and resid 16 and name HG2%) 2.400 2.400 3.600 peak 170 spectrum 3 weight 0.11000E+01 volume 0.56613E-02 ppm1 8.217 ppm2 1.040 CV 1 ASSI { 171} (( segid "ENHF" and resid 16 and name HN )) ( segid "ENHF" and resid 16 and name HG1%) 3.600 1.300 1.300 peak 171 spectrum 3 weight 0.11000E+01 volume 0.12335E-02 ppm1 8.215 ppm2 0.907 CV 1 ASSI { 174} (( segid "ENHF" and resid 46 and name HN )) (( segid "ENHF" and resid 44 and name HN )) 4.300 1.800 1.700 peak 174 spectrum 3 weight 0.11000E+01 volume 0.27315E-03 ppm1 8.175 ppm2 8.366 CV 1 ASSI { 175} (( segid "ENHF" and resid 46 and name HN )) (( segid "ENHF" and resid 47 and name HN )) 2.500 0.600 0.600 peak 175 spectrum 3 weight 0.10000E+01 volume 0.51723E-02 ppm1 8.172 ppm2 7.805 CV 1 ASSI { 176} (( segid "ENHF" and resid 46 and name HN )) (( segid "ENHF" and resid 45 and name HA )) 3.900 1.500 1.500 peak 176 spectrum 3 weight 0.10000E+01 volume 0.42178E-03 ppm1 8.172 ppm2 4.195 CV 1 ASSI { 177} (( segid "ENHF" and resid 46 and name HN )) (( segid "ENHF" and resid 46 and name HA )) 2.400 0.600 0.600 peak 177 spectrum 3 weight 0.10000E+01 volume 0.74158E-02 ppm1 8.173 ppm2 4.074 CV 1 ASSI { 178} (( segid "ENHF" and resid 46 and name HN )) (( segid "ENHF" and resid 45 and name HB1 )) 3.700 1.400 1.400 peak 178 spectrum 3 weight 0.10000E+01 volume 0.78164E-03 ppm1 8.173 ppm2 3.290 CV 1 ASSI { 179} (( segid "ENHF" and resid 46 and name HN )) (( segid "ENHF" and resid 45 and name HB2 )) 3.100 0.900 0.900 peak 179 spectrum 3 weight 0.11000E+01 volume 0.11407E-02 ppm1 8.172 ppm2 3.185 CV 1 ASSI { 180} (( segid "ENHF" and resid 46 and name HN )) (( segid "ENHF" and resid 46 and name HG1 )) 3.600 1.300 1.300 peak 180 spectrum 3 weight 0.11000E+01 volume 0.12118E-02 ppm1 8.173 ppm2 2.500 CV 1 ASSI { 181} (( segid "ENHF" and resid 46 and name HN )) (( segid "ENHF" and resid 46 and name HG2 )) 3.500 1.200 1.200 peak 181 spectrum 3 weight 0.10000E+01 volume 0.71794E-03 ppm1 8.174 ppm2 2.306 CV 1 ASSI { 182} (( segid "ENHF" and resid 46 and name HN )) (( segid "ENHF" and resid 46 and name HB1 )) 2.300 0.500 0.500 peak 182 spectrum 3 weight 0.10000E+01 volume 0.82714E-02 ppm1 8.173 ppm2 2.195 CV 1 ASSI { 183} (( segid "ENHF" and resid 46 and name HN )) (( segid "ENHF" and resid 46 and name HB2 )) 2.800 0.800 0.800 peak 183 spectrum 3 weight 0.11000E+01 volume 0.26233E-02 ppm1 8.173 ppm2 2.091 CV 1 ASSI { 184} (( segid "ENHF" and resid 29 and name HN )) (( segid "ENHF" and resid 28 and name HN )) 2.700 0.700 0.700 peak 184 spectrum 3 weight 0.11000E+01 volume 0.26283E-02 ppm1 8.144 ppm2 8.705 CV 1 ASSI { 186} (( segid "ENHF" and resid 29 and name HN )) (( segid "ENHF" and resid 30 and name HN )) 2.400 0.600 0.600 peak 186 spectrum 3 weight 0.11000E+01 volume 0.55107E-02 ppm1 8.146 ppm2 7.946 CV 1 ASSI { 188} (( segid "ENHF" and resid 29 and name HN )) (( segid "ENHF" and resid 28 and name HB1 )) 2.600 0.700 0.700 peak 188 spectrum 3 weight 0.11000E+01 volume 0.28535E-02 ppm1 8.143 ppm2 3.389 CV 1 ASSI { 189} (( segid "ENHF" and resid 29 and name HN )) (( segid "ENHF" and resid 29 and name HG1 )) 3.400 1.200 1.200 peak 189 spectrum 3 weight 0.11000E+01 volume 0.12972E-02 ppm1 8.143 ppm2 2.555 CV 1 ASSI { 190} (( segid "ENHF" and resid 10 and name HN )) (( segid "ENHF" and resid 10 and name HB1 )) 2.700 0.700 0.700 peak 190 spectrum 3 weight 0.10000E+01 volume 0.34345E-02 ppm1 8.143 ppm2 2.166 CV 1 OR { 190} (( segid "ENHF" and resid 10 and name HN )) (( segid "ENHF" and resid 10 and name HB2 )) ASSI { 194} (( segid "ENHF" and resid 10 and name HN )) (( segid "ENHF" and resid 11 and name HN )) 2.500 0.600 0.600 peak 194 spectrum 3 weight 0.10000E+01 volume 0.51564E-02 ppm1 8.113 ppm2 7.744 CV 1 ASSI { 195} (( segid "ENHF" and resid 10 and name HN )) (( segid "ENHF" and resid 7 and name HA )) 4.600 2.100 1.400 peak 195 spectrum 3 weight 0.11000E+01 volume 0.13306E-03 ppm1 8.111 ppm2 4.507 CV 1 ASSI { 197} (( segid "ENHF" and resid 10 and name HN )) (( segid "ENHF" and resid 9 and name HA )) 3.700 1.300 1.300 peak 197 spectrum 3 weight 0.11000E+01 volume 0.52705E-03 ppm1 8.111 ppm2 3.632 CV 1 ASSI { 199} (( segid "ENHF" and resid 10 and name HN )) (( segid "ENHF" and resid 9 and name HB1 )) 2.200 0.500 0.500 peak 199 spectrum 3 weight 0.10000E+01 volume 0.10665E-01 ppm1 8.110 ppm2 2.252 CV 1 OR { 199} (( segid "ENHF" and resid 10 and name HN )) (( segid "ENHF" and resid 9 and name HB2 )) ASSI { 201} (( segid "ENHF" and resid 43 and name HN )) (( segid "ENHF" and resid 44 and name HN )) 2.500 0.600 0.600 peak 201 spectrum 3 weight 0.10000E+01 volume 0.44431E-02 ppm1 8.100 ppm2 8.365 CV 1 ASSI { 202} (( segid "ENHF" and resid 43 and name HN )) (( segid "ENHF" and resid 42 and name HB1 )) 2.300 0.500 0.500 peak 202 spectrum 3 weight 0.10000E+01 volume 0.86930E-02 ppm1 8.099 ppm2 1.987 CV 1 OR { 202} (( segid "ENHF" and resid 43 and name HN )) (( segid "ENHF" and resid 42 and name HB2 )) ASSI { 203} (( segid "ENHF" and resid 43 and name HN )) (( segid "ENHF" and resid 45 and name HN )) 6.000 3.700 0.000 peak 203 spectrum 3 weight 0.11000E+01 volume 0.36387E-04 ppm1 8.098 ppm2 8.483 CV 1 ASSI { 204} (( segid "ENHF" and resid 43 and name HN )) (( segid "ENHF" and resid 47 and name HN )) 4.800 2.300 1.200 peak 204 spectrum 3 weight 0.10000E+01 volume 0.13384E-03 ppm1 8.099 ppm2 7.803 CV 1 ASSI { 205} (( segid "ENHF" and resid 43 and name HN )) (( segid "ENHF" and resid 43 and name HA )) 2.500 0.600 0.600 peak 205 spectrum 3 weight 0.10000E+01 volume 0.53314E-02 ppm1 8.099 ppm2 4.067 CV 1 ASSI { 206} (( segid "ENHF" and resid 43 and name HN )) (( segid "ENHF" and resid 43 and name HG1 )) 3.700 1.400 1.400 peak 206 spectrum 3 weight 0.10000E+01 volume 0.11941E-02 ppm1 8.100 ppm2 2.554 CV 1 ASSI { 210} (( segid "ENHF" and resid 41 and name HN )) (( segid "ENHF" and resid 38 and name HA )) 5.600 3.100 0.400 peak 210 spectrum 3 weight 0.11000E+01 volume 0.42841E-04 ppm1 8.086 ppm2 3.823 CV 1 ASSI { 211} (( segid "ENHF" and resid 41 and name HN )) ( segid "ENHF" and resid 41 and name HD1%) 3.200 3.200 2.800 peak 211 spectrum 3 weight 0.11000E+01 volume 0.18074E-02 ppm1 8.085 ppm2 0.566 CV 1 ASSI { 212} (( segid "ENHF" and resid 41 and name HN )) (( segid "ENHF" and resid 41 and name HA )) 3.400 1.200 1.200 peak 212 spectrum 3 weight 0.10000E+01 volume 0.73784E-03 ppm1 8.083 ppm2 3.458 CV 1 ASSI { 213} (( segid "ENHF" and resid 41 and name HN )) (( segid "ENHF" and resid 41 and name HB )) 2.400 0.600 0.600 peak 213 spectrum 3 weight 0.10000E+01 volume 0.54379E-02 ppm1 8.086 ppm2 1.798 CV 1 OR { 213} (( segid "ENHF" and resid 41 and name HN )) (( segid "ENHF" and resid 41 and name HG11)) ASSI { 214} (( segid "ENHF" and resid 41 and name HN )) (( segid "ENHF" and resid 41 and name HG12)) 2.800 0.800 0.800 peak 214 spectrum 3 weight 0.10000E+01 volume 0.32064E-02 ppm1 8.082 ppm2 1.704 CV 1 ASSI { 216} (( segid "ENHF" and resid 40 and name HN )) (( segid "ENHF" and resid 37 and name HN )) 5.800 3.400 0.200 peak 216 spectrum 3 weight 0.10000E+01 volume 0.13796E-03 ppm1 8.070 ppm2 8.296 CV 1 ASSI { 217} (( segid "ENHF" and resid 40 and name HN )) (( segid "ENHF" and resid 40 and name HA )) 2.700 0.700 0.700 peak 217 spectrum 3 weight 0.11000E+01 volume 0.21578E-02 ppm1 8.068 ppm2 4.234 CV 1 ASSI { 218} (( segid "ENHF" and resid 40 and name HN )) (( segid "ENHF" and resid 39 and name HA )) 4.100 1.600 1.600 peak 218 spectrum 3 weight 0.10000E+01 volume 0.27899E-03 ppm1 8.069 ppm2 4.107 CV 1 ASSI { 219} (( segid "ENHF" and resid 40 and name HN )) (( segid "ENHF" and resid 39 and name HG1 )) 5.900 3.400 0.100 peak 219 spectrum 3 weight 0.10000E+01 volume 0.35916E-04 ppm1 8.069 ppm2 2.311 CV 1 OR { 219} (( segid "ENHF" and resid 40 and name HN )) (( segid "ENHF" and resid 39 and name HG2 )) ASSI { 220} (( segid "ENHF" and resid 40 and name HN )) (( segid "ENHF" and resid 39 and name HB1 )) 3.000 0.900 0.900 peak 220 spectrum 3 weight 0.10000E+01 volume 0.89302E-03 ppm1 8.067 ppm2 2.071 CV 1 ASSI { 221} (( segid "ENHF" and resid 40 and name HN )) (( segid "ENHF" and resid 39 and name HB2 )) 3.900 1.500 1.500 peak 221 spectrum 3 weight 0.10000E+01 volume 0.11369E-02 ppm1 8.067 ppm2 1.996 CV 1 ASSI { 222} (( segid "ENHF" and resid 40 and name HN )) ( segid "ENHF" and resid 40 and name HB% ) 2.100 0.500 0.500 peak 222 spectrum 3 weight 0.10000E+01 volume 0.92124E-02 ppm1 8.067 ppm2 1.553 CV 1 ASSI { 227} (( segid "ENHF" and resid 42 and name HN )) (( segid "ENHF" and resid 42 and name HB2 )) 2.200 0.500 0.500 peak 227 spectrum 3 weight 0.10000E+01 volume 0.10849E-01 ppm1 8.066 ppm2 1.981 CV 1 OR { 227} (( segid "ENHF" and resid 42 and name HN )) (( segid "ENHF" and resid 42 and name HB1 )) ASSI { 228} (( segid "ENHF" and resid 42 and name HN )) (( segid "ENHF" and resid 41 and name HB )) 2.400 0.600 0.600 peak 228 spectrum 3 weight 0.10000E+01 volume 0.54378E-02 ppm1 8.066 ppm2 1.791 CV 1 ASSI { 229} (( segid "ENHF" and resid 42 and name HN )) ( segid "ENHF" and resid 41 and name HG2%) 5.600 3.100 0.400 peak 229 spectrum 3 weight 0.10000E+01 volume 0.56761E-04 ppm1 8.066 ppm2 0.622 CV 1 ASSI { 230} (( segid "ENHF" and resid 42 and name HN )) ( segid "ENHF" and resid 41 and name HD1%) 5.300 2.800 0.700 peak 230 spectrum 3 weight 0.10000E+01 volume 0.34991E-04 ppm1 8.064 ppm2 0.501 CV 1 ASSI { 231} (( segid "ENHF" and resid 3 and name HN )) (( segid "ENHF" and resid 2 and name HA )) 2.400 0.600 0.600 peak 231 spectrum 3 weight 0.11000E+01 volume 0.64646E-02 ppm1 8.036 ppm2 4.075 CV 1 ASSI { 232} (( segid "ENHF" and resid 3 and name HN )) (( segid "ENHF" and resid 3 and name HB2 )) 3.100 0.900 0.900 peak 232 spectrum 3 weight 0.11000E+01 volume 0.12507E-02 ppm1 8.036 ppm2 1.748 CV 1 ASSI { 233} (( segid "ENHF" and resid 3 and name HN )) (( segid "ENHF" and resid 2 and name HB2 )) 5.500 3.000 0.500 peak 233 spectrum 3 weight 0.11000E+01 volume 0.41428E-04 ppm1 8.036 ppm2 1.310 CV 1 ASSI { 236} (( segid "ENHF" and resid 3 and name HN )) (( segid "ENHF" and resid 4 and name HN )) 3.600 1.300 1.300 peak 236 spectrum 3 weight 0.10000E+01 volume 0.61896E-03 ppm1 8.033 ppm2 7.497 CV 1 ASSI { 237} (( segid "ENHF" and resid 3 and name HN )) (( segid "ENHF" and resid 3 and name HA )) 3.500 1.200 1.200 peak 237 spectrum 3 weight 0.11000E+01 volume 0.71798E-03 ppm1 8.035 ppm2 4.190 CV 1 ASSI { 238} (( segid "ENHF" and resid 3 and name HN )) (( segid "ENHF" and resid 3 and name HG2 )) 4.700 2.200 1.300 peak 238 spectrum 3 weight 0.10000E+01 volume 0.13721E-03 ppm1 8.035 ppm2 2.219 CV 1 OR { 238} (( segid "ENHF" and resid 3 and name HN )) (( segid "ENHF" and resid 3 and name HG1 )) ASSI { 239} (( segid "ENHF" and resid 3 and name HN )) (( segid "ENHF" and resid 3 and name HB1 )) 5.100 2.600 0.900 peak 239 spectrum 3 weight 0.11000E+01 volume 0.14373E-03 ppm1 8.033 ppm2 2.084 CV 1 ASSI { 240} (( segid "ENHF" and resid 48 and name HN )) (( segid "ENHF" and resid 47 and name HN )) 2.400 0.600 0.600 peak 240 spectrum 3 weight 0.10000E+01 volume 0.66749E-02 ppm1 8.037 ppm2 7.808 CV 1 ASSI { 242} (( segid "ENHF" and resid 48 and name HN )) (( segid "ENHF" and resid 48 and name HA )) 2.600 0.700 0.700 peak 242 spectrum 3 weight 0.10000E+01 volume 0.40374E-02 ppm1 8.038 ppm2 4.196 CV 1 ASSI { 244} (( segid "ENHF" and resid 48 and name HN )) (( segid "ENHF" and resid 48 and name HB1 )) 2.500 0.600 0.600 peak 244 spectrum 3 weight 0.11000E+01 volume 0.48291E-02 ppm1 8.038 ppm2 2.881 CV 1 ASSI { 245} (( segid "ENHF" and resid 48 and name HN )) (( segid "ENHF" and resid 48 and name HB2 )) 2.300 0.500 0.500 peak 245 spectrum 3 weight 0.11000E+01 volume 0.71527E-02 ppm1 8.037 ppm2 2.620 CV 1 ASSI { 247} (( segid "ENHF" and resid 48 and name HN )) (( segid "ENHF" and resid 47 and name HG1 )) 5.200 2.700 0.800 peak 247 spectrum 3 weight 0.11000E+01 volume 0.11300E-03 ppm1 8.034 ppm2 2.311 CV 1 ASSI { 253} (( segid "ENHF" and resid 14 and name HN )) (( segid "ENHF" and resid 13 and name HA )) 3.800 1.500 1.500 peak 253 spectrum 3 weight 0.11000E+01 volume 0.37088E-03 ppm1 8.029 ppm2 3.881 CV 1 ASSI { 254} (( segid "ENHF" and resid 14 and name HN )) (( segid "ENHF" and resid 14 and name HG1 )) 2.700 0.700 0.700 peak 254 spectrum 3 weight 0.10000E+01 volume 0.25038E-02 ppm1 8.028 ppm2 2.334 CV 1 OR { 254} (( segid "ENHF" and resid 14 and name HN )) (( segid "ENHF" and resid 14 and name HG2 )) ASSI { 255} (( segid "ENHF" and resid 14 and name HN )) (( segid "ENHF" and resid 14 and name HB2 )) 2.300 0.500 0.500 peak 255 spectrum 3 weight 0.10000E+01 volume 0.75918E-02 ppm1 8.027 ppm2 2.113 CV 1 OR { 255} (( segid "ENHF" and resid 14 and name HN )) (( segid "ENHF" and resid 14 and name HB1 )) ASSI { 257} (( segid "ENHF" and resid 49 and name HN )) (( segid "ENHF" and resid 50 and name HN )) 2.300 0.500 0.500 peak 257 spectrum 3 weight 0.10000E+01 volume 0.69376E-02 ppm1 8.019 ppm2 7.837 CV 1 ASSI { 258} (( segid "ENHF" and resid 49 and name HN )) ( segid "ENHF" and resid 48 and name HD% ) 4.700 2.200 1.300 peak 258 spectrum 3 weight 0.11000E+01 volume 0.12681E-03 ppm1 8.019 ppm2 7.034 CV 1 ASSI { 260} (( segid "ENHF" and resid 49 and name HN )) (( segid "ENHF" and resid 48 and name HB1 )) 2.500 0.600 0.600 peak 260 spectrum 3 weight 0.10000E+01 volume 0.38890E-02 ppm1 8.018 ppm2 2.884 CV 1 ASSI { 261} (( segid "ENHF" and resid 49 and name HN )) (( segid "ENHF" and resid 48 and name HB2 )) 6.000 4.000 0.000 peak 261 spectrum 3 weight 0.11000E+01 volume 0.57058E-04 ppm1 8.018 ppm2 2.629 CV 1 ASSI { 262} (( segid "ENHF" and resid 49 and name HN )) (( segid "ENHF" and resid 49 and name HG1 )) 2.700 0.700 0.700 peak 262 spectrum 3 weight 0.10000E+01 volume 0.28096E-02 ppm1 8.018 ppm2 2.224 CV 1 OR { 262} (( segid "ENHF" and resid 49 and name HN )) (( segid "ENHF" and resid 49 and name HG2 )) ASSI { 265} (( segid "ENHF" and resid 32 and name HN )) (( segid "ENHF" and resid 31 and name HN )) 2.600 0.700 0.700 peak 265 spectrum 3 weight 0.11000E+01 volume 0.34906E-02 ppm1 8.001 ppm2 8.294 CV 1 ASSI { 266} (( segid "ENHF" and resid 32 and name HN )) (( segid "ENHF" and resid 33 and name HN )) 2.200 0.500 0.500 peak 266 spectrum 3 weight 0.11000E+01 volume 0.81644E-02 ppm1 8.001 ppm2 7.807 CV 1 ASSI { 268} (( segid "ENHF" and resid 32 and name HN )) (( segid "ENHF" and resid 31 and name HA )) 5.800 3.300 0.200 peak 268 spectrum 3 weight 0.11000E+01 volume 0.40556E-04 ppm1 8.002 ppm2 3.522 CV 1 ASSI { 269} (( segid "ENHF" and resid 32 and name HN )) (( segid "ENHF" and resid 32 and name HG1 )) 3.400 1.200 1.200 peak 269 spectrum 3 weight 0.10000E+01 volume 0.78853E-03 ppm1 7.999 ppm2 2.341 CV 1 ASSI { 270} (( segid "ENHF" and resid 32 and name HN )) (( segid "ENHF" and resid 32 and name HG2 )) 5.700 3.300 0.300 peak 270 spectrum 3 weight 0.10000E+01 volume 0.57930E-04 ppm1 8.002 ppm2 2.198 CV 1 ASSI { 271} (( segid "ENHF" and resid 32 and name HN )) (( segid "ENHF" and resid 32 and name HB2 )) 2.100 0.500 0.500 peak 271 spectrum 3 weight 0.11000E+01 volume 0.95395E-02 ppm1 8.001 ppm2 2.003 CV 1 ASSI { 272} (( segid "ENHF" and resid 32 and name HN )) ( segid "ENHF" and resid 31 and name HB% ) 2.600 0.700 0.700 peak 272 spectrum 3 weight 0.10000E+01 volume 0.33071E-02 ppm1 8.002 ppm2 1.266 CV 1 ASSI { 276} (( segid "ENHF" and resid 15 and name HN )) (( segid "ENHF" and resid 14 and name HB2 )) 2.900 0.800 0.800 peak 276 spectrum 3 weight 0.10000E+01 volume 0.22718E-02 ppm1 7.993 ppm2 2.091 CV 1 OR { 276} (( segid "ENHF" and resid 15 and name HN )) (( segid "ENHF" and resid 14 and name HB1 )) ASSI { 277} (( segid "ENHF" and resid 15 and name HN )) (( segid "ENHF" and resid 17 and name HN )) 5.500 3.000 0.500 peak 277 spectrum 3 weight 0.11000E+01 volume 0.89953E-04 ppm1 7.993 ppm2 7.744 CV 1 ASSI { 279} (( segid "ENHF" and resid 15 and name HN )) (( segid "ENHF" and resid 15 and name HA )) 2.700 0.700 0.700 peak 279 spectrum 3 weight 0.10000E+01 volume 0.27181E-02 ppm1 7.992 ppm2 4.104 CV 1 ASSI { 280} (( segid "ENHF" and resid 15 and name HN )) (( segid "ENHF" and resid 13 and name HA )) 5.800 3.300 0.200 peak 280 spectrum 3 weight 0.10000E+01 volume 0.35026E-04 ppm1 7.993 ppm2 3.876 CV 1 ASSI { 281} (( segid "ENHF" and resid 15 and name HN )) (( segid "ENHF" and resid 15 and name HB2 )) 2.000 0.400 0.400 peak 281 spectrum 3 weight 0.11000E+01 volume 0.15077E-01 ppm1 7.993 ppm2 3.067 CV 1 ASSI { 282} (( segid "ENHF" and resid 51 and name HN )) (( segid "ENHF" and resid 50 and name HN )) 2.400 0.600 0.600 peak 282 spectrum 3 weight 0.10000E+01 volume 0.61478E-02 ppm1 7.972 ppm2 7.855 CV 1 ASSI { 283} (( segid "ENHF" and resid 51 and name HN )) (( segid "ENHF" and resid 50 and name HE21)) 5.200 2.700 0.800 peak 283 spectrum 3 weight 0.11000E+01 volume 0.39701E-04 ppm1 7.974 ppm2 7.543 CV 1 ASSI { 284} (( segid "ENHF" and resid 51 and name HN )) (( segid "ENHF" and resid 50 and name HA )) 2.400 2.400 3.600 peak 284 spectrum 3 weight 0.10000E+01 volume 0.71343E-02 ppm1 7.973 ppm2 4.211 CV 1 ASSI { 285} (( segid "ENHF" and resid 51 and name HN )) (( segid "ENHF" and resid 50 and name HB1 )) 5.200 2.700 0.800 peak 285 spectrum 3 weight 0.10000E+01 volume 0.94038E-04 ppm1 7.971 ppm2 2.108 CV 1 ASSI { 286} (( segid "ENHF" and resid 51 and name HN )) (( segid "ENHF" and resid 50 and name HB2 )) 4.400 2.000 1.600 peak 286 spectrum 3 weight 0.10000E+01 volume 0.14621E-03 ppm1 7.973 ppm2 1.991 CV 1 ASSI { 287} (( segid "ENHF" and resid 51 and name HN )) (( segid "ENHF" and resid 51 and name HB1 )) 3.500 1.200 1.200 peak 287 spectrum 3 weight 0.11000E+01 volume 0.17667E-02 ppm1 7.973 ppm2 1.811 CV 1 ASSI { 288} (( segid "ENHF" and resid 51 and name HN )) (( segid "ENHF" and resid 51 and name HB2 )) 2.400 0.600 0.600 peak 288 spectrum 3 weight 0.10000E+01 volume 0.43697E-02 ppm1 7.972 ppm2 1.700 CV 1 ASSI { 289} (( segid "ENHF" and resid 51 and name HN )) (( segid "ENHF" and resid 51 and name HG1 )) 2.800 0.800 0.800 peak 289 spectrum 3 weight 0.10000E+01 volume 0.25495E-02 ppm1 7.972 ppm2 1.587 CV 1 OR { 289} (( segid "ENHF" and resid 51 and name HN )) (( segid "ENHF" and resid 51 and name HG2 )) ASSI { 290} (( segid "ENHF" and resid 30 and name HN )) (( segid "ENHF" and resid 29 and name HB2 )) 4.000 1.600 1.600 peak 290 spectrum 3 weight 0.11000E+01 volume 0.31583E-03 ppm1 7.935 ppm2 2.071 CV 1 ASSI { 292} (( segid "ENHF" and resid 22 and name HN )) (( segid "ENHF" and resid 22 and name HG12)) 6.000 3.600 0.000 peak 292 spectrum 3 weight 0.11000E+01 volume 0.39091E-04 ppm1 7.939 ppm2 1.203 CV 1 ASSI { 296} (( segid "ENHF" and resid 22 and name HN )) ( segid "ENHF" and resid 22 and name HG2%) 4.000 1.600 1.600 peak 296 spectrum 3 weight 0.10000E+01 volume 0.28656E-03 ppm1 7.933 ppm2 0.826 CV 1 ASSI { 297} (( segid "ENHF" and resid 52 and name HN )) (( segid "ENHF" and resid 52 and name HA )) 3.100 0.900 0.900 peak 297 spectrum 3 weight 0.10000E+01 volume 0.14603E-02 ppm1 7.890 ppm2 4.066 CV 1 ASSI { 299} (( segid "ENHF" and resid 52 and name HN )) (( segid "ENHF" and resid 51 and name HA )) 2.300 0.500 0.500 peak 299 spectrum 3 weight 0.11000E+01 volume 0.77054E-02 ppm1 7.889 ppm2 4.262 CV 1 ASSI { 300} (( segid "ENHF" and resid 52 and name HN )) (( segid "ENHF" and resid 52 and name HG1 )) 3.200 1.000 1.000 peak 300 spectrum 3 weight 0.11000E+01 volume 0.12529E-02 ppm1 7.888 ppm2 1.331 CV 1 ASSI { 302} (( segid "ENHF" and resid 50 and name HN )) (( segid "ENHF" and resid 50 and name HA )) 2.500 0.600 0.600 peak 302 spectrum 3 weight 0.10000E+01 volume 0.49196E-02 ppm1 7.838 ppm2 4.203 CV 1 ASSI { 303} (( segid "ENHF" and resid 50 and name HN )) (( segid "ENHF" and resid 49 and name HA )) 2.400 2.400 3.600 peak 303 spectrum 3 weight 0.10000E+01 volume 0.75252E-02 ppm1 7.837 ppm2 4.039 CV 1 ASSI { 304} (( segid "ENHF" and resid 50 and name HN )) (( segid "ENHF" and resid 50 and name HG1 )) 2.800 0.800 0.800 peak 304 spectrum 3 weight 0.10000E+01 volume 0.23855E-02 ppm1 7.838 ppm2 2.368 CV 1 OR { 304} (( segid "ENHF" and resid 50 and name HN )) (( segid "ENHF" and resid 50 and name HG2 )) ASSI { 305} (( segid "ENHF" and resid 50 and name HN )) (( segid "ENHF" and resid 50 and name HB1 )) 3.400 1.100 1.100 peak 305 spectrum 3 weight 0.10000E+01 volume 0.19132E-02 ppm1 7.838 ppm2 2.104 CV 1 ASSI { 308} (( segid "ENHF" and resid 33 and name HN )) (( segid "ENHF" and resid 34 and name HN )) 2.500 0.600 0.600 peak 308 spectrum 3 weight 0.10000E+01 volume 0.44155E-02 ppm1 7.823 ppm2 7.405 CV 1 ASSI { 310} (( segid "ENHF" and resid 33 and name HN )) (( segid "ENHF" and resid 32 and name HB2 )) 2.600 0.700 0.700 peak 310 spectrum 3 weight 0.11000E+01 volume 0.45402E-02 ppm1 7.823 ppm2 2.003 CV 1 ASSI { 311} (( segid "ENHF" and resid 33 and name HN )) (( segid "ENHF" and resid 33 and name HB2 )) 2.100 0.500 0.500 peak 311 spectrum 3 weight 0.11000E+01 volume 0.11125E-01 ppm1 7.823 ppm2 1.823 CV 1 ASSI { 312} (( segid "ENHF" and resid 33 and name HN )) (( segid "ENHF" and resid 33 and name HG2 )) 5.900 3.400 0.100 peak 312 spectrum 3 weight 0.11000E+01 volume 0.95573E-04 ppm1 7.822 ppm2 1.565 CV 1 ASSI { 313} (( segid "ENHF" and resid 33 and name HN )) (( segid "ENHF" and resid 29 and name HE21)) 4.600 2.100 1.400 peak 313 spectrum 3 weight 0.10000E+01 volume 0.10722E-03 ppm1 7.820 ppm2 7.630 CV 1 ASSI { 316} (( segid "ENHF" and resid 47 and name HN )) (( segid "ENHF" and resid 46 and name HB1 )) 2.800 0.800 0.800 peak 316 spectrum 3 weight 0.10000E+01 volume 0.21847E-02 ppm1 7.806 ppm2 2.191 CV 1 ASSI { 317} (( segid "ENHF" and resid 47 and name HN )) (( segid "ENHF" and resid 47 and name HB1 )) 2.200 0.500 0.500 peak 317 spectrum 3 weight 0.10000E+01 volume 0.10618E-01 ppm1 7.806 ppm2 1.948 CV 1 OR { 317} (( segid "ENHF" and resid 47 and name HN )) (( segid "ENHF" and resid 47 and name HB2 )) ASSI { 320} (( segid "ENHF" and resid 26 and name HN )) (( segid "ENHF" and resid 27 and name HN )) 2.700 0.800 0.800 peak 320 spectrum 3 weight 0.11000E+01 volume 0.23172E-02 ppm1 7.758 ppm2 8.214 CV 1 ASSI { 321} (( segid "ENHF" and resid 26 and name HN )) (( segid "ENHF" and resid 26 and name HA )) 3.100 1.000 1.000 peak 321 spectrum 3 weight 0.10000E+01 volume 0.12814E-02 ppm1 7.759 ppm2 4.020 CV 1 ASSI { 322} (( segid "ENHF" and resid 26 and name HN )) (( segid "ENHF" and resid 26 and name HB1 )) 2.500 0.600 0.600 peak 322 spectrum 3 weight 0.10000E+01 volume 0.72211E-02 ppm1 7.757 ppm2 2.290 CV 1 OR { 322} (( segid "ENHF" and resid 26 and name HN )) (( segid "ENHF" and resid 26 and name HG2 )) OR { 322} (( segid "ENHF" and resid 26 and name HN )) (( segid "ENHF" and resid 26 and name HG1 )) ASSI { 323} (( segid "ENHF" and resid 26 and name HN )) (( segid "ENHF" and resid 25 and name HB1 )) 4.400 4.400 1.600 peak 323 spectrum 3 weight 0.10000E+01 volume 0.10817E-03 ppm1 7.758 ppm2 2.050 CV 1 ASSI { 325} (( segid "ENHF" and resid 26 and name HN )) (( segid "ENHF" and resid 28 and name HN )) 4.600 2.100 1.400 peak 325 spectrum 3 weight 0.11000E+01 volume 0.18975E-03 ppm1 7.754 ppm2 8.660 CV 1 ASSI { 329} (( segid "ENHF" and resid 11 and name HN )) (( segid "ENHF" and resid 12 and name HN )) 2.500 0.600 0.600 peak 329 spectrum 3 weight 0.10000E+01 volume 0.40714E-02 ppm1 7.749 ppm2 8.269 CV 1 ASSI { 334} (( segid "ENHF" and resid 8 and name HN )) (( segid "ENHF" and resid 10 and name HN )) 5.700 3.300 0.300 peak 334 spectrum 3 weight 0.11000E+01 volume 0.35428E-04 ppm1 7.724 ppm2 8.130 CV 1 ASSI { 335} (( segid "ENHF" and resid 8 and name HN )) (( segid "ENHF" and resid 4 and name HE3 )) 4.700 2.200 1.300 peak 335 spectrum 3 weight 0.10000E+01 volume 0.14324E-03 ppm1 7.726 ppm2 7.495 CV 1 OR { 335} (( segid "ENHF" and resid 8 and name HN )) (( segid "ENHF" and resid 4 and name HN )) ASSI { 336} (( segid "ENHF" and resid 8 and name HN )) (( segid "ENHF" and resid 7 and name HA )) 2.900 0.800 0.800 peak 336 spectrum 3 weight 0.11000E+01 volume 0.22287E-02 ppm1 7.727 ppm2 4.507 CV 1 ASSI { 337} (( segid "ENHF" and resid 8 and name HN )) (( segid "ENHF" and resid 5 and name HB1 )) 4.900 2.400 1.100 peak 337 spectrum 3 weight 0.10000E+01 volume 0.80101E-04 ppm1 7.725 ppm2 4.168 CV 1 ASSI { 338} (( segid "ENHF" and resid 8 and name HN )) (( segid "ENHF" and resid 8 and name HA )) 2.800 0.800 0.800 peak 338 spectrum 3 weight 0.11000E+01 volume 0.22231E-02 ppm1 7.726 ppm2 3.519 CV 1 ASSI { 339} (( segid "ENHF" and resid 8 and name HN )) (( segid "ENHF" and resid 7 and name HB1 )) 3.100 3.100 2.900 peak 339 spectrum 3 weight 0.11000E+01 volume 0.13121E-02 ppm1 7.728 ppm2 2.770 CV 1 ASSI { 340} (( segid "ENHF" and resid 8 and name HN )) (( segid "ENHF" and resid 8 and name HB )) 2.200 0.500 0.500 peak 340 spectrum 3 weight 0.10000E+01 volume 0.79326E-02 ppm1 7.726 ppm2 2.096 CV 1 ASSI { 341} (( segid "ENHF" and resid 8 and name HN )) ( segid "ENHF" and resid 8 and name HG2%) 2.300 2.300 3.700 peak 341 spectrum 3 weight 0.11000E+01 volume 0.55178E-02 ppm1 7.726 ppm2 0.949 CV 1 ASSI { 342} (( segid "ENHF" and resid 8 and name HN )) ( segid "ENHF" and resid 8 and name HG1%) 4.100 1.700 1.700 peak 342 spectrum 3 weight 0.11000E+01 volume 0.63887E-03 ppm1 7.723 ppm2 0.628 CV 1 ASSI { 343} (( segid "ENHF" and resid 11 and name HN )) (( segid "ENHF" and resid 11 and name HA )) 2.900 0.900 0.900 peak 343 spectrum 3 weight 0.10000E+01 volume 0.18631E-02 ppm1 7.744 ppm2 4.090 CV 1 ASSI { 348} (( segid "ENHF" and resid 17 and name HN )) (( segid "ENHF" and resid 19 and name HN )) 3.200 1.100 1.100 peak 348 spectrum 3 weight 0.11000E+01 volume 0.11053E-02 ppm1 7.733 ppm2 7.557 CV 1 ASSI { 352} (( segid "ENHF" and resid 17 and name HN )) (( segid "ENHF" and resid 18 and name HN )) 2.400 0.600 0.600 peak 352 spectrum 3 weight 0.10000E+01 volume 0.53148E-02 ppm1 7.728 ppm2 7.437 CV 1 ASSI { 355} (( segid "ENHF" and resid 17 and name HN )) ( segid "ENHF" and resid 16 and name HG1%) 3.500 1.200 1.200 peak 355 spectrum 3 weight 0.10000E+01 volume 0.93170E-03 ppm1 7.727 ppm2 0.906 CV 1 ASSI { 358} (( segid "ENHF" and resid 35 and name HN )) (( segid "ENHF" and resid 35 and name HA2 )) 2.200 0.500 0.500 peak 358 spectrum 3 weight 0.11000E+01 volume 0.75927E-02 ppm1 7.689 ppm2 3.699 CV 1 ASSI { 359} (( segid "ENHF" and resid 35 and name HN )) (( segid "ENHF" and resid 34 and name HB1 )) 4.500 2.000 1.500 peak 359 spectrum 3 weight 0.11000E+01 volume 0.23069E-03 ppm1 7.690 ppm2 1.480 CV 1 ASSI { 362} (( segid "ENHF" and resid 19 and name HN )) (( segid "ENHF" and resid 19 and name HA )) 3.600 1.300 1.300 peak 362 spectrum 3 weight 0.11000E+01 volume 0.63793E-03 ppm1 7.558 ppm2 4.550 CV 1 ASSI { 363} (( segid "ENHF" and resid 19 and name HN )) (( segid "ENHF" and resid 19 and name HB2 )) 3.700 1.400 1.400 peak 363 spectrum 3 weight 0.11000E+01 volume 0.35140E-03 ppm1 7.558 ppm2 2.524 CV 1 ASSI { 364} (( segid "ENHF" and resid 4 and name HN )) (( segid "ENHF" and resid 4 and name HB2 )) 4.600 2.200 1.400 peak 364 spectrum 3 weight 0.11000E+01 volume 0.14536E-03 ppm1 7.505 ppm2 3.111 CV 1 ASSI { 366} (( segid "ENHF" and resid 4 and name HN )) (( segid "ENHF" and resid 4 and name HA )) 4.400 2.000 1.600 peak 366 spectrum 3 weight 0.11000E+01 volume 0.14334E-03 ppm1 7.501 ppm2 4.776 CV 1 ASSI { 367} (( segid "ENHF" and resid 4 and name HN )) (( segid "ENHF" and resid 3 and name HA )) 3.400 1.100 1.100 peak 367 spectrum 3 weight 0.10000E+01 volume 0.10594E-02 ppm1 7.501 ppm2 4.192 CV 1 ASSI { 368} (( segid "ENHF" and resid 4 and name HN )) (( segid "ENHF" and resid 4 and name HB1 )) 5.700 3.200 0.300 peak 368 spectrum 3 weight 0.11000E+01 volume 0.31293E-04 ppm1 7.498 ppm2 3.359 CV 1 ASSI { 370} (( segid "ENHF" and resid 18 and name HN )) (( segid "ENHF" and resid 19 and name HN )) 2.400 0.600 0.600 peak 370 spectrum 3 weight 0.11000E+01 volume 0.52923E-02 ppm1 7.439 ppm2 7.561 CV 1 ASSI { 371} (( segid "ENHF" and resid 18 and name HN )) (( segid "ENHF" and resid 18 and name HA )) 2.600 0.700 0.700 peak 371 spectrum 3 weight 0.10000E+01 volume 0.34406E-02 ppm1 7.438 ppm2 4.110 CV 1 ASSI { 372} (( segid "ENHF" and resid 18 and name HN )) (( segid "ENHF" and resid 14 and name HA )) 3.100 1.000 1.000 peak 372 spectrum 3 weight 0.10000E+01 volume 0.10739E-02 ppm1 7.437 ppm2 3.996 CV 1 ASSI { 373} (( segid "ENHF" and resid 18 and name HN )) (( segid "ENHF" and resid 17 and name HB2 )) 2.700 0.700 0.700 peak 373 spectrum 3 weight 0.10000E+01 volume 0.31738E-02 ppm1 7.438 ppm2 1.887 CV 1 OR { 373} (( segid "ENHF" and resid 18 and name HN )) (( segid "ENHF" and resid 17 and name HB1 )) ASSI { 375} (( segid "ENHF" and resid 18 and name HN )) (( segid "ENHF" and resid 18 and name HG2 )) 2.400 0.600 0.600 peak 375 spectrum 3 weight 0.10000E+01 volume 0.68393E-02 ppm1 7.439 ppm2 1.503 CV 1 OR { 375} (( segid "ENHF" and resid 18 and name HN )) (( segid "ENHF" and resid 18 and name HB2 )) ASSI { 376} (( segid "ENHF" and resid 18 and name HN )) (( segid "ENHF" and resid 21 and name HN )) 4.500 2.000 1.500 peak 376 spectrum 3 weight 0.10000E+01 volume 0.20882E-03 ppm1 7.436 ppm2 8.421 CV 1 ASSI { 378} (( segid "ENHF" and resid 34 and name HN )) (( segid "ENHF" and resid 35 and name HN )) 2.400 0.600 0.600 peak 378 spectrum 3 weight 0.11000E+01 volume 0.44996E-02 ppm1 7.403 ppm2 7.688 CV 1 ASSI { 380} (( segid "ENHF" and resid 34 and name HN )) (( segid "ENHF" and resid 33 and name HA )) 3.900 1.500 1.500 peak 380 spectrum 3 weight 0.10000E+01 volume 0.38165E-03 ppm1 7.403 ppm2 3.975 CV 1 ASSI { 381} (( segid "ENHF" and resid 34 and name HN )) (( segid "ENHF" and resid 31 and name HA )) 5.200 2.700 0.800 peak 381 spectrum 3 weight 0.11000E+01 volume 0.59343E-04 ppm1 7.400 ppm2 3.516 CV 1 ASSI { 382} (( segid "ENHF" and resid 34 and name HN )) (( segid "ENHF" and resid 33 and name HB2 )) 3.100 0.900 0.900 peak 382 spectrum 3 weight 0.10000E+01 volume 0.13579E-02 ppm1 7.403 ppm2 1.814 CV 1 OR { 382} (( segid "ENHF" and resid 34 and name HN )) (( segid "ENHF" and resid 33 and name HB1 )) ASSI { 384} (( segid "ENHF" and resid 34 and name HN )) (( segid "ENHF" and resid 34 and name HB2 )) 2.900 0.900 0.900 peak 384 spectrum 3 weight 0.10000E+01 volume 0.12823E-02 ppm1 7.404 ppm2 1.370 CV 1 ASSI { 385} (( segid "ENHF" and resid 34 and name HN )) (( segid "ENHF" and resid 34 and name HG )) 2.600 0.700 0.700 peak 385 spectrum 3 weight 0.10000E+01 volume 0.36477E-02 ppm1 7.403 ppm2 1.213 CV 1 ASSI { 386} (( segid "ENHF" and resid 34 and name HN )) ( segid "ENHF" and resid 34 and name HD2%) 4.900 2.400 1.100 peak 386 spectrum 3 weight 0.10000E+01 volume 0.14910E-03 ppm1 7.401 ppm2 0.532 CV 1 ASSI { 387} (( segid "ENHF" and resid 36 and name HN )) (( segid "ENHF" and resid 35 and name HN )) 2.300 0.500 0.500 peak 387 spectrum 3 weight 0.10000E+01 volume 0.64144E-02 ppm1 7.363 ppm2 7.688 CV 1 ASSI { 388} (( segid "ENHF" and resid 36 and name HN )) (( segid "ENHF" and resid 35 and name HA2 )) 3.900 1.600 1.600 peak 388 spectrum 3 weight 0.11000E+01 volume 0.30310E-03 ppm1 7.366 ppm2 3.703 CV 1 ASSI { 389} (( segid "ENHF" and resid 36 and name HN )) (( segid "ENHF" and resid 36 and name HG )) 2.400 0.600 0.600 peak 389 spectrum 3 weight 0.10000E+01 volume 0.55053E-02 ppm1 7.364 ppm2 1.441 CV 1 OR { 389} (( segid "ENHF" and resid 36 and name HN )) (( segid "ENHF" and resid 36 and name HB1 )) ASSI { 391} (( segid "ENHF" and resid 36 and name HN )) ( segid "ENHF" and resid 36 and name HD2%) 5.700 3.300 0.300 peak 391 spectrum 3 weight 0.11000E+01 volume 0.37800E-04 ppm1 7.366 ppm2 0.611 CV 1 ASSI { 392} (( segid "ENHF" and resid 36 and name HN )) ( segid "ENHF" and resid 36 and name HD1%) 3.800 1.400 1.400 peak 392 spectrum 3 weight 0.10000E+01 volume 0.83489E-03 ppm1 7.364 ppm2 0.504 CV 1 ASSI { 393} (( segid "ENHF" and resid 36 and name HN )) (( segid "ENHF" and resid 36 and name HA )) 2.800 0.800 0.800 peak 393 spectrum 3 weight 0.11000E+01 volume 0.22219E-02 ppm1 7.361 ppm2 4.409 CV 1 ASSI { 394} (( segid "ENHF" and resid 36 and name HN )) (( segid "ENHF" and resid 32 and name HA )) 2.900 0.800 0.800 peak 394 spectrum 3 weight 0.10000E+01 volume 0.17735E-02 ppm1 7.361 ppm2 4.041 CV 1 ASSI { 396} (( segid "ENHF" and resid 4 and name HE1 )) (( segid "ENHF" and resid 4 and name HZ2 )) 3.500 1.200 1.200 peak 396 spectrum 3 weight 0.11000E+01 volume 0.70972E-03 ppm1 10.684 ppm2 7.399 CV 1 ASSI { 397} (( segid "ENHF" and resid 4 and name HE1 )) (( segid "ENHF" and resid 4 and name HD1 )) 2.700 0.700 0.700 peak 397 spectrum 3 weight 0.11000E+01 volume 0.35531E-02 ppm1 10.686 ppm2 7.268 CV 1 ASSI { 399} (( segid "ENHF" and resid 37 and name HD21)) (( segid "ENHF" and resid 37 and name HD22)) 1.600 0.200 0.600 peak 399 spectrum 3 weight 0.11000E+01 volume 0.31493E-01 ppm1 7.696 ppm2 6.962 CV 1 ASSI { 400} (( segid "ENHF" and resid 37 and name HD21)) (( segid "ENHF" and resid 37 and name HB1 )) 4.400 1.900 1.600 peak 400 spectrum 3 weight 0.11000E+01 volume 0.18085E-03 ppm1 7.697 ppm2 3.187 CV 1 ASSI { 401} (( segid "ENHF" and resid 37 and name HD21)) (( segid "ENHF" and resid 37 and name HB2 )) 3.100 1.000 1.000 peak 401 spectrum 3 weight 0.10000E+01 volume 0.76291E-03 ppm1 7.695 ppm2 2.920 CV 1 ASSI { 402} (( segid "ENHF" and resid 43 and name HE21)) (( segid "ENHF" and resid 43 and name HE22)) 1.700 0.300 0.500 peak 402 spectrum 3 weight 0.11000E+01 volume 0.33958E-01 ppm1 7.696 ppm2 6.778 CV 1 ASSI { 403} (( segid "ENHF" and resid 7 and name HD21)) (( segid "ENHF" and resid 7 and name HD22)) 1.600 0.300 0.600 peak 403 spectrum 3 weight 0.11000E+01 volume 0.39614E-01 ppm1 7.678 ppm2 7.008 CV 1 ASSI { 404} (( segid "ENHF" and resid 7 and name HD21)) (( segid "ENHF" and resid 7 and name HB2 )) 4.900 2.400 1.100 peak 404 spectrum 3 weight 0.11000E+01 volume 0.60791E-04 ppm1 7.679 ppm2 2.781 CV 1 ASSI { 405} (( segid "ENHF" and resid 29 and name HE21)) (( segid "ENHF" and resid 29 and name HE22)) 1.700 0.300 0.500 peak 405 spectrum 3 weight 0.11000E+01 volume 0.29960E-01 ppm1 7.600 ppm2 6.847 CV 1 ASSI { 406} (( segid "ENHF" and resid 29 and name HE21)) (( segid "ENHF" and resid 29 and name HG1 )) 5.500 3.000 0.500 peak 406 spectrum 3 weight 0.11000E+01 volume 0.37974E-04 ppm1 7.599 ppm2 2.552 CV 1 ASSI { 407} (( segid "ENHF" and resid 50 and name HE21)) (( segid "ENHF" and resid 50 and name HE22)) 1.600 0.300 0.600 peak 407 spectrum 3 weight 0.11000E+01 volume 0.38306E-01 ppm1 7.550 ppm2 6.846 CV 1 ASSI { 408} (( segid "ENHF" and resid 50 and name HE21)) (( segid "ENHF" and resid 50 and name HG1 )) 5.200 2.700 0.800 peak 408 spectrum 3 weight 0.10000E+01 volume 0.59919E-04 ppm1 7.550 ppm2 2.358 CV 1 OR { 408} (( segid "ENHF" and resid 50 and name HE21)) (( segid "ENHF" and resid 50 and name HG2 )) ASSI { 409} (( segid "ENHF" and resid 32 and name HE21)) (( segid "ENHF" and resid 32 and name HE22)) 1.800 0.300 0.400 peak 409 spectrum 3 weight 0.11000E+01 volume 0.21410E-01 ppm1 7.486 ppm2 6.788 CV 1 ASSI { 410} (( segid "ENHF" and resid 32 and name HE21)) (( segid "ENHF" and resid 32 and name HG2 )) 5.600 3.200 0.400 peak 410 spectrum 3 weight 0.11000E+01 volume 0.37259E-04 ppm1 7.485 ppm2 2.203 CV 1 ASSI { 411} (( segid "ENHF" and resid 24 and name HE21)) (( segid "ENHF" and resid 24 and name HE22)) 1.700 0.300 0.500 peak 411 spectrum 3 weight 0.11000E+01 volume 0.33737E-01 ppm1 7.415 ppm2 6.814 CV 1 ASSI { 412} (( segid "ENHF" and resid 3 and name HE21)) (( segid "ENHF" and resid 3 and name HE22)) 1.900 0.400 0.400 peak 412 spectrum 3 weight 0.11000E+01 volume 0.15813E-01 ppm1 7.408 ppm2 6.665 CV 1 ASSI { 413} (( segid "ENHF" and resid 3 and name HE21)) (( segid "ENHF" and resid 3 and name HG2 )) 4.300 1.900 1.700 peak 413 spectrum 3 weight 0.11000E+01 volume 0.14017E-03 ppm1 7.409 ppm2 2.211 CV 1 ASSI { 416} (( segid "ENHF" and resid 37 and name HD22)) (( segid "ENHF" and resid 37 and name HB1 )) 5.000 2.500 1.000 peak 416 spectrum 3 weight 0.11000E+01 volume 0.11011E-03 ppm1 6.962 ppm2 3.181 CV 1 ASSI { 417} (( segid "ENHF" and resid 37 and name HD22)) (( segid "ENHF" and resid 37 and name HB2 )) 5.600 3.200 0.400 peak 417 spectrum 3 weight 0.11000E+01 volume 0.57843E-04 ppm1 6.965 ppm2 2.920 CV 1 ASSI { 424} (( segid "ENHF" and resid 4 and name HE1 )) (( segid "ENHF" and resid 9 and name HA )) 6.000 4.400 0.000 peak 424 spectrum 3 weight 0.11000E+01 volume 0.18647E-04 ppm1 10.687 ppm2 3.645 CV 1 ASSI { 425} (( segid "ENHF" and resid 4 and name HE1 )) ( segid "ENHF" and resid 40 and name HB% ) 6.000 4.900 0.000 peak 425 spectrum 3 weight 0.10000E+01 volume 0.17147E-04 ppm1 10.688 ppm2 1.541 CV 1 ASSI { 426} (( segid "ENHF" and resid 52 and name HN )) (( segid "ENHF" and resid 52 and name HB1 )) 3.700 1.400 1.400 peak 426 spectrum 3 weight 0.10000E+01 volume 0.59390E-03 ppm1 7.889 ppm2 1.749 CV 1 ASSI { 428} (( segid "ENHF" and resid 40 and name HN )) (( segid "ENHF" and resid 38 and name HN )) 6.000 5.300 0.000 peak 428 spectrum 3 weight 0.11000E+01 volume 0.18350E-04 ppm1 8.071 ppm2 8.746 CV 1 ASSI { 429} (( segid "ENHF" and resid 40 and name HN )) (( segid "ENHF" and resid 38 and name HA )) 6.000 3.900 0.000 peak 429 spectrum 3 weight 0.10000E+01 volume 0.24386E-04 ppm1 8.069 ppm2 3.813 CV 1 ASSI { 431} (( segid "ENHF" and resid 40 and name HN )) (( segid "ENHF" and resid 37 and name HB2 )) 5.700 3.300 0.300 peak 431 spectrum 3 weight 0.10000E+01 volume 0.77309E-04 ppm1 8.071 ppm2 2.918 CV 1 ASSI { 433} (( segid "ENHF" and resid 40 and name HN )) (( segid "ENHF" and resid 36 and name HB1 )) 6.000 4.500 0.000 peak 433 spectrum 3 weight 0.10000E+01 volume 0.30230E-04 ppm1 8.067 ppm2 1.427 CV 1 ASSI { 434} (( segid "ENHF" and resid 6 and name HN )) (( segid "ENHF" and resid 3 and name HN )) 6.000 3.700 0.000 peak 434 spectrum 3 weight 0.10000E+01 volume 0.15978E-04 ppm1 8.809 ppm2 8.033 CV 1 ASSI { 435} (( segid "ENHF" and resid 6 and name HN )) (( segid "ENHF" and resid 7 and name HA )) 6.000 4.300 0.000 peak 435 spectrum 3 weight 0.10000E+01 volume 0.27787E-04 ppm1 8.808 ppm2 4.525 CV 1 ASSI { 436} (( segid "ENHF" and resid 6 and name HN )) ( segid "ENHF" and resid 8 and name HG2%) 6.000 5.800 0.000 peak 436 spectrum 3 weight 0.10000E+01 volume 0.14967E-04 ppm1 8.810 ppm2 0.990 CV 1 ASSI { 437} (( segid "ENHF" and resid 51 and name HN )) (( segid "ENHF" and resid 52 and name HG1 )) 6.000 4.800 0.000 peak 437 spectrum 3 weight 0.11000E+01 volume 0.19868E-04 ppm1 7.971 ppm2 1.309 CV 1 ASSI { 438} (( segid "ENHF" and resid 51 and name HN )) (( segid "ENHF" and resid 47 and name HA )) 4.900 2.400 1.100 peak 438 spectrum 3 weight 0.10000E+01 volume 0.91263E-04 ppm1 7.973 ppm2 4.066 CV 1 ASSI { 439} (( segid "ENHF" and resid 22 and name HN )) (( segid "ENHF" and resid 23 and name HN )) 6.000 4.000 0.000 peak 439 spectrum 3 weight 0.10000E+01 volume 0.29043E-04 ppm1 7.933 ppm2 8.311 CV 1 ASSI { 442} (( segid "ENHF" and resid 27 and name HN )) (( segid "ENHF" and resid 45 and name HZ )) 6.000 4.700 0.000 peak 442 spectrum 3 weight 0.10000E+01 volume 0.17810E-04 ppm1 8.220 ppm2 7.053 CV 1 ASSI { 443} (( segid "ENHF" and resid 27 and name HN )) (( segid "ENHF" and resid 22 and name HG12)) 5.200 2.700 0.800 peak 443 spectrum 3 weight 0.11000E+01 volume 0.51388E-04 ppm1 8.214 ppm2 1.214 CV 1 ASSI { 444} (( segid "ENHF" and resid 27 and name HN )) ( segid "ENHF" and resid 22 and name HD1%) 6.000 3.700 0.000 peak 444 spectrum 3 weight 0.10000E+01 volume 0.27474E-04 ppm1 8.216 ppm2 0.652 CV 1 ASSI { 446} (( segid "ENHF" and resid 12 and name HN )) ( segid "ENHF" and resid 34 and name HD1%) 6.000 3.800 0.000 peak 446 spectrum 3 weight 0.11000E+01 volume 0.27212E-04 ppm1 8.264 ppm2 0.385 CV 1 ASSI { 447} (( segid "ENHF" and resid 12 and name HN )) ( segid "ENHF" and resid 12 and name HD2%) 6.000 5.100 0.000 peak 447 spectrum 3 weight 0.11000E+01 volume 0.28887E-04 ppm1 8.268 ppm2 -0.036 CV 1 ASSI { 448} (( segid "ENHF" and resid 12 and name HN )) (( segid "ENHF" and resid 11 and name HA )) 4.300 1.800 1.700 peak 448 spectrum 3 weight 0.11000E+01 volume 0.20545E-03 ppm1 8.269 ppm2 4.089 CV 1 ASSI { 449} (( segid "ENHF" and resid 24 and name HN )) (( segid "ENHF" and resid 23 and name HN )) 6.000 4.400 0.000 peak 449 spectrum 3 weight 0.11000E+01 volume 0.27857E-04 ppm1 9.024 ppm2 8.290 CV 1 ASSI { 452} (( segid "ENHF" and resid 24 and name HN )) (( segid "ENHF" and resid 25 and name HB1 )) 6.000 4.700 0.000 peak 452 spectrum 3 weight 0.10000E+01 volume 0.28380E-04 ppm1 9.028 ppm2 2.083 CV 1 ASSI { 453} (( segid "ENHF" and resid 3 and name HN )) (( segid "ENHF" and resid 2 and name HB1 )) 6.000 4.300 0.000 peak 453 spectrum 3 weight 0.10000E+01 volume 0.19467E-04 ppm1 8.037 ppm2 1.506 CV 1 OR { 453} (( segid "ENHF" and resid 3 and name HN )) (( segid "ENHF" and resid 2 and name HD2 )) ASSI { 454} (( segid "ENHF" and resid 3 and name HN )) (( segid "ENHF" and resid 2 and name HG1 )) 6.000 4.000 0.000 peak 454 spectrum 3 weight 0.11000E+01 volume 0.23636E-04 ppm1 8.040 ppm2 1.195 CV 1 ASSI { 456} (( segid "ENHF" and resid 33 and name HN )) (( segid "ENHF" and resid 31 and name HA )) 6.000 3.900 0.000 peak 456 spectrum 3 weight 0.10000E+01 volume 0.22729E-04 ppm1 7.825 ppm2 3.517 CV 1 ASSI { 457} (( segid "ENHF" and resid 33 and name HN )) (( segid "ENHF" and resid 33 and name HD2 )) 6.000 4.700 0.000 peak 457 spectrum 3 weight 0.11000E+01 volume 0.25328E-04 ppm1 7.826 ppm2 3.095 CV 1 ASSI { 458} (( segid "ENHF" and resid 33 and name HN )) (( segid "ENHF" and resid 30 and name HB1 )) 5.800 3.300 0.200 peak 458 spectrum 3 weight 0.10000E+01 volume 0.21263E-04 ppm1 7.822 ppm2 2.743 CV 1 ASSI { 461} (( segid "ENHF" and resid 33 and name HN )) (( segid "ENHF" and resid 32 and name HG1 )) 6.000 4.200 0.000 peak 461 spectrum 3 weight 0.10000E+01 volume 0.22136E-04 ppm1 7.823 ppm2 2.328 CV 1 ASSI { 462} (( segid "ENHF" and resid 33 and name HN )) (( segid "ENHF" and resid 33 and name HG1 )) 4.200 1.800 1.800 peak 462 spectrum 3 weight 0.11000E+01 volume 0.48734E-03 ppm1 7.823 ppm2 1.721 CV 1 ASSI { 467} (( segid "ENHF" and resid 44 and name HN )) (( segid "ENHF" and resid 43 and name HG2 )) 6.000 4.000 0.000 peak 467 spectrum 3 weight 0.11000E+01 volume 0.21002E-04 ppm1 8.367 ppm2 2.361 CV 1 ASSI { 468} (( segid "ENHF" and resid 44 and name HN )) (( segid "ENHF" and resid 43 and name HG1 )) 6.000 4.700 0.000 peak 468 spectrum 3 weight 0.10000E+01 volume 0.25293E-04 ppm1 8.367 ppm2 2.566 CV 1 ASSI { 469} (( segid "ENHF" and resid 30 and name HN )) (( segid "ENHF" and resid 31 and name HN )) 2.600 0.700 0.700 peak 469 spectrum 3 weight 0.11000E+01 volume 0.32283E-02 ppm1 7.936 ppm2 8.290 CV 1 ASSI { 473} (( segid "ENHF" and resid 30 and name HN )) (( segid "ENHF" and resid 31 and name HA )) 6.000 5.400 0.000 peak 473 spectrum 3 weight 0.10000E+01 volume 0.15490E-04 ppm1 7.939 ppm2 3.498 CV 1 ASSI { 474} (( segid "ENHF" and resid 30 and name HN )) (( segid "ENHF" and resid 29 and name HG1 )) 6.000 6.000 0.000 peak 474 spectrum 3 weight 0.11000E+01 volume 0.20008E-04 ppm1 7.937 ppm2 2.590 CV 1 ASSI { 475} (( segid "ENHF" and resid 30 and name HN )) (( segid "ENHF" and resid 26 and name HB1 )) 5.600 3.200 0.400 peak 475 spectrum 3 weight 0.10000E+01 volume 0.31590E-04 ppm1 7.936 ppm2 2.310 CV 1 OR { 475} (( segid "ENHF" and resid 30 and name HN )) (( segid "ENHF" and resid 26 and name HG1 )) OR { 475} (( segid "ENHF" and resid 30 and name HN )) (( segid "ENHF" and resid 26 and name HG2 )) ASSI { 476} (( segid "ENHF" and resid 30 and name HN )) (( segid "ENHF" and resid 30 and name HB2 )) 2.600 0.700 0.700 peak 476 spectrum 3 weight 0.11000E+01 volume 0.33969E-02 ppm1 7.937 ppm2 2.434 CV 1 ASSI { 477} (( segid "ENHF" and resid 30 and name HN )) (( segid "ENHF" and resid 29 and name HB1 )) 3.400 1.100 1.100 peak 477 spectrum 3 weight 0.10000E+01 volume 0.81295E-03 ppm1 7.939 ppm2 2.161 CV 1 ASSI { 478} (( segid "ENHF" and resid 30 and name HN )) (( segid "ENHF" and resid 30 and name HB1 )) 2.500 0.600 0.600 peak 478 spectrum 3 weight 0.11000E+01 volume 0.48181E-02 ppm1 7.937 ppm2 2.724 CV 1 ASSI { 479} (( segid "ENHF" and resid 8 and name HN )) (( segid "ENHF" and resid 5 and name HA )) 6.000 4.100 0.000 peak 479 spectrum 3 weight 0.11000E+01 volume 0.27351E-04 ppm1 7.728 ppm2 4.391 CV 1 ASSI { 480} (( segid "ENHF" and resid 8 and name HN )) (( segid "ENHF" and resid 5 and name HB2 )) 5.800 3.400 0.200 peak 480 spectrum 3 weight 0.11000E+01 volume 0.32375E-04 ppm1 7.729 ppm2 3.923 CV 1 ASSI { 481} (( segid "ENHF" and resid 8 and name HN )) (( segid "ENHF" and resid 9 and name HA )) 6.000 4.300 0.000 peak 481 spectrum 3 weight 0.10000E+01 volume 0.30265E-04 ppm1 7.729 ppm2 3.638 CV 1 ASSI { 482} (( segid "ENHF" and resid 8 and name HN )) (( segid "ENHF" and resid 9 and name HB1 )) 6.000 4.300 0.000 peak 482 spectrum 3 weight 0.10000E+01 volume 0.27683E-04 ppm1 7.731 ppm2 2.219 CV 1 OR { 482} (( segid "ENHF" and resid 8 and name HN )) (( segid "ENHF" and resid 9 and name HB2 )) ASSI { 485} (( segid "ENHF" and resid 38 and name HN )) (( segid "ENHF" and resid 37 and name HB2 )) 5.200 2.700 0.800 peak 485 spectrum 3 weight 0.11000E+01 volume 0.45528E-04 ppm1 8.744 ppm2 2.931 CV 1 ASSI { 486} (( segid "ENHF" and resid 15 and name HN )) (( segid "ENHF" and resid 16 and name HA )) 6.000 5.100 0.000 peak 486 spectrum 3 weight 0.10000E+01 volume 0.20758E-04 ppm1 8.000 ppm2 3.573 CV 1 ASSI { 488} (( segid "ENHF" and resid 15 and name HN )) (( segid "ENHF" and resid 14 and name HG2 )) 6.000 5.100 0.000 peak 488 spectrum 3 weight 0.11000E+01 volume 0.26497E-04 ppm1 7.988 ppm2 2.348 CV 1 ASSI { 490} (( segid "ENHF" and resid 15 and name HN )) ( segid "ENHF" and resid 16 and name HG2%) 6.000 4.600 0.000 peak 490 spectrum 3 weight 0.10000E+01 volume 0.20583E-04 ppm1 7.993 ppm2 1.043 CV 1 ASSI { 491} (( segid "ENHF" and resid 26 and name HN )) (( segid "ENHF" and resid 23 and name HN )) 5.900 3.500 0.100 peak 491 spectrum 3 weight 0.10000E+01 volume 0.32620E-04 ppm1 7.757 ppm2 8.341 CV 1 ASSI { 492} (( segid "ENHF" and resid 26 and name HN )) (( segid "ENHF" and resid 23 and name HB )) 6.000 3.700 0.000 peak 492 spectrum 3 weight 0.10000E+01 volume 0.30003E-04 ppm1 7.757 ppm2 4.707 CV 1 ASSI { 493} (( segid "ENHF" and resid 36 and name HN )) (( segid "ENHF" and resid 31 and name HA )) 6.000 3.800 0.000 peak 493 spectrum 3 weight 0.10000E+01 volume 0.28852E-04 ppm1 7.365 ppm2 3.514 CV 1 ASSI { 495} (( segid "ENHF" and resid 42 and name HN )) (( segid "ENHF" and resid 40 and name HA )) 5.100 2.600 0.900 peak 495 spectrum 3 weight 0.10000E+01 volume 0.79993E-04 ppm1 8.066 ppm2 4.224 CV 1 ASSI { 496} (( segid "ENHF" and resid 42 and name HN )) (( segid "ENHF" and resid 41 and name HA )) 5.900 3.400 0.100 peak 496 spectrum 3 weight 0.11000E+01 volume 0.32462E-04 ppm1 8.065 ppm2 3.460 CV 1 ASSI { 497} (( segid "ENHF" and resid 39 and name HN )) (( segid "ENHF" and resid 37 and name HD22)) 6.000 4.400 0.000 peak 497 spectrum 3 weight 0.11000E+01 volume 0.38620E-04 ppm1 8.422 ppm2 6.946 CV 1 ASSI { 498} (( segid "ENHF" and resid 39 and name HN )) (( segid "ENHF" and resid 40 and name HA )) 6.000 4.800 0.000 peak 498 spectrum 3 weight 0.10000E+01 volume 0.22799E-04 ppm1 8.424 ppm2 4.226 CV 1 ASSI { 499} (( segid "ENHF" and resid 39 and name HN )) (( segid "ENHF" and resid 37 and name HB2 )) 5.600 3.200 0.400 peak 499 spectrum 3 weight 0.11000E+01 volume 0.27578E-04 ppm1 8.424 ppm2 2.912 CV 1 ASSI { 500} (( segid "ENHF" and resid 39 and name HN )) (( segid "ENHF" and resid 37 and name HB1 )) 6.000 6.000 0.000 peak 500 spectrum 3 weight 0.11000E+01 volume 0.21438E-04 ppm1 8.422 ppm2 3.168 CV 1 ASSI { 502} (( segid "ENHF" and resid 39 and name HN )) (( segid "ENHF" and resid 39 and name HB2 )) 2.400 0.600 0.600 peak 502 spectrum 3 weight 0.10000E+01 volume 0.66551E-02 ppm1 8.423 ppm2 1.989 CV 1 ASSI { 503} (( segid "ENHF" and resid 39 and name HN )) (( segid "ENHF" and resid 41 and name HB )) 6.000 4.200 0.000 peak 503 spectrum 3 weight 0.10000E+01 volume 0.18752E-04 ppm1 8.423 ppm2 1.808 CV 1 OR { 503} (( segid "ENHF" and resid 39 and name HN )) (( segid "ENHF" and resid 41 and name HG11)) ASSI { 504} (( segid "ENHF" and resid 39 and name HN )) ( segid "ENHF" and resid 40 and name HB% ) 6.000 5.200 0.000 peak 504 spectrum 3 weight 0.10000E+01 volume 0.23810E-04 ppm1 8.421 ppm2 1.565 CV 1 ASSI { 514} (( segid "ENHF" and resid 22 and name HN )) (( segid "ENHF" and resid 21 and name HB2 )) 5.200 2.700 0.800 peak 514 spectrum 3 weight 0.11000E+01 volume 0.91442E-04 ppm1 7.936 ppm2 1.721 CV 1 ASSI { 516} (( segid "ENHF" and resid 42 and name HN )) (( segid "ENHF" and resid 42 and name HA )) 2.900 0.800 0.800 peak 516 spectrum 3 weight 0.10000E+01 volume 0.20659E-02 ppm1 8.066 ppm2 4.012 CV 1 ASSI { 517} (( segid "ENHF" and resid 37 and name HN )) (( segid "ENHF" and resid 37 and name HB2 )) 2.900 0.800 0.800 peak 517 spectrum 3 weight 0.10000E+01 volume 0.29638E-02 ppm1 8.324 ppm2 2.916 CV 1 ASSI { 518} (( segid "ENHF" and resid 37 and name HN )) ( segid "ENHF" and resid 40 and name HB% ) 3.000 0.900 0.900 peak 518 spectrum 3 weight 0.10000E+01 volume 0.19198E-02 ppm1 8.324 ppm2 1.549 CV 1 ASSI { 519} (( segid "ENHF" and resid 11 and name HN )) (( segid "ENHF" and resid 10 and name HG1 )) 6.000 3.900 0.000 peak 519 spectrum 3 weight 0.10000E+01 volume 0.24438E-04 ppm1 7.745 ppm2 2.378 CV 1 OR { 519} (( segid "ENHF" and resid 11 and name HN )) (( segid "ENHF" and resid 10 and name HG2 )) ASSI { 521} (( segid "ENHF" and resid 14 and name HN )) (( segid "ENHF" and resid 13 and name HB2 )) 4.100 1.700 1.700 peak 521 spectrum 3 weight 0.10000E+01 volume 0.62585E-03 ppm1 8.026 ppm2 1.846 CV 1 ASSI { 522} (( segid "ENHF" and resid 4 and name HN )) ( segid "ENHF" and resid 40 and name HB% ) 5.600 3.200 0.400 peak 522 spectrum 3 weight 0.10000E+01 volume 0.39335E-04 ppm1 7.510 ppm2 1.520 CV 1 ASSI { 524} (( segid "ENHF" and resid 4 and name HN )) (( segid "ENHF" and resid 3 and name HB1 )) 6.000 4.200 0.000 peak 524 spectrum 3 weight 0.10000E+01 volume 0.19101E-04 ppm1 7.497 ppm2 2.087 CV 1 ASSI { 525} (( segid "ENHF" and resid 21 and name HN )) (( segid "ENHF" and resid 21 and name HG2 )) 6.000 3.800 0.000 peak 525 spectrum 3 weight 0.11000E+01 volume 0.35149E-04 ppm1 8.443 ppm2 1.552 CV 1 ASSI { 526} (( segid "ENHF" and resid 50 and name HN )) (( segid "ENHF" and resid 50 and name HE21)) 6.000 4.400 0.000 peak 526 spectrum 3 weight 0.11000E+01 volume 0.22310E-04 ppm1 7.842 ppm2 7.541 CV 1 ASSI { 529} (( segid "ENHF" and resid 50 and name HN )) (( segid "ENHF" and resid 49 and name HG1 )) 6.000 3.600 0.000 peak 529 spectrum 3 weight 0.10000E+01 volume 0.24787E-04 ppm1 7.838 ppm2 2.229 CV 1 OR { 529} (( segid "ENHF" and resid 50 and name HN )) (( segid "ENHF" and resid 49 and name HG2 )) ASSI { 530} (( segid "ENHF" and resid 21 and name HN )) (( segid "ENHF" and resid 17 and name HN )) 5.200 2.700 0.800 peak 530 spectrum 3 weight 0.10000E+01 volume 0.38847E-04 ppm1 8.446 ppm2 7.723 CV 1 ASSI { 531} (( segid "ENHF" and resid 13 and name HN )) (( segid "ENHF" and resid 11 and name HN )) 6.000 4.200 0.000 peak 531 spectrum 3 weight 0.11000E+01 volume 0.21909E-04 ppm1 8.289 ppm2 7.761 CV 1 ASSI { 532} (( segid "ENHF" and resid 13 and name HN )) (( segid "ENHF" and resid 44 and name HZ )) 6.000 3.900 0.000 peak 532 spectrum 3 weight 0.10000E+01 volume 0.25275E-04 ppm1 8.287 ppm2 6.778 CV 1 OR { 532} (( segid "ENHF" and resid 13 and name HN )) ( segid "ENHF" and resid 44 and name HE% ) ASSI { 533} (( segid "ENHF" and resid 13 and name HN )) (( segid "ENHF" and resid 9 and name HG1 )) 5.900 3.500 0.100 peak 533 spectrum 3 weight 0.10000E+01 volume 0.21927E-04 ppm1 8.290 ppm2 2.273 CV 1 OR { 533} (( segid "ENHF" and resid 13 and name HN )) (( segid "ENHF" and resid 9 and name HB1 )) OR { 533} (( segid "ENHF" and resid 13 and name HN )) (( segid "ENHF" and resid 9 and name HG2 )) ASSI { 535} (( segid "ENHF" and resid 13 and name HN )) (( segid "ENHF" and resid 12 and name HG )) 6.000 4.000 0.000 peak 535 spectrum 3 weight 0.11000E+01 volume 0.27107E-04 ppm1 8.289 ppm2 1.253 CV 1 ASSI { 536} (( segid "ENHF" and resid 13 and name HN )) (( segid "ENHF" and resid 11 and name HA )) 6.000 4.100 0.000 peak 536 spectrum 3 weight 0.10000E+01 volume 0.21054E-04 ppm1 8.292 ppm2 4.111 CV 1 ASSI { 537} (( segid "ENHF" and resid 19 and name HN )) (( segid "ENHF" and resid 16 and name HA )) 6.000 4.000 0.000 peak 537 spectrum 3 weight 0.11000E+01 volume 0.21979E-04 ppm1 7.564 ppm2 3.568 CV 1 ASSI { 538} (( segid "ENHF" and resid 19 and name HN )) (( segid "ENHF" and resid 19 and name HB1 )) 6.000 4.700 0.000 peak 538 spectrum 3 weight 0.11000E+01 volume 0.28084E-04 ppm1 7.557 ppm2 2.965 CV 1 ASSI { 540} (( segid "ENHF" and resid 19 and name HN )) (( segid "ENHF" and resid 18 and name HB2 )) 6.000 3.700 0.000 peak 540 spectrum 3 weight 0.10000E+01 volume 0.26950E-04 ppm1 7.562 ppm2 1.502 CV 1 OR { 540} (( segid "ENHF" and resid 19 and name HN )) (( segid "ENHF" and resid 18 and name HG2 )) ASSI { 542} (( segid "ENHF" and resid 41 and name HN )) (( segid "ENHF" and resid 36 and name HB1 )) 5.000 2.500 1.000 peak 542 spectrum 3 weight 0.10000E+01 volume 0.75182E-04 ppm1 8.082 ppm2 1.422 CV 1 ASSI { 543} (( segid "ENHF" and resid 43 and name HN )) (( segid "ENHF" and resid 43 and name HB2 )) 2.100 0.500 0.500 peak 543 spectrum 3 weight 0.10000E+01 volume 0.11162E-01 ppm1 8.100 ppm2 2.246 CV 1 OR { 543} (( segid "ENHF" and resid 43 and name HN )) (( segid "ENHF" and resid 43 and name HB1 )) ASSI { 549} (( segid "ENHF" and resid 10 and name HN )) (( segid "ENHF" and resid 8 and name HA )) 5.300 2.800 0.700 peak 549 spectrum 3 weight 0.10000E+01 volume 0.62867E-04 ppm1 8.114 ppm2 3.506 CV 1 ASSI { 550} (( segid "ENHF" and resid 45 and name HN )) (( segid "ENHF" and resid 47 and name HN )) 6.000 3.900 0.000 peak 550 spectrum 3 weight 0.11000E+01 volume 0.23601E-04 ppm1 8.491 ppm2 7.817 CV 1 ASSI { 551} (( segid "ENHF" and resid 7 and name HN )) (( segid "ENHF" and resid 5 and name HB2 )) 6.000 4.600 0.000 peak 551 spectrum 3 weight 0.10000E+01 volume 0.27595E-04 ppm1 8.449 ppm2 3.928 CV 1 ASSI { 552} (( segid "ENHF" and resid 34 and name HN )) (( segid "ENHF" and resid 32 and name HN )) 6.000 6.000 0.000 peak 552 spectrum 3 weight 0.11000E+01 volume 0.26462E-04 ppm1 7.398 ppm2 7.955 CV 1 ASSI { 553} (( segid "ENHF" and resid 34 and name HN )) (( segid "ENHF" and resid 32 and name HB2 )) 6.000 4.300 0.000 peak 553 spectrum 3 weight 0.10000E+01 volume 0.23479E-04 ppm1 7.407 ppm2 2.008 CV 1 OR { 553} (( segid "ENHF" and resid 34 and name HN )) (( segid "ENHF" and resid 32 and name HB1 )) ASSI { 554} (( segid "ENHF" and resid 34 and name HN )) (( segid "ENHF" and resid 33 and name HG2 )) 6.000 4.300 0.000 peak 554 spectrum 3 weight 0.10000E+01 volume 0.24735E-04 ppm1 7.406 ppm2 1.606 CV 1 ASSI { 555} (( segid "ENHF" and resid 34 and name HN )) ( segid "ENHF" and resid 34 and name HD1%) 6.000 4.200 0.000 peak 555 spectrum 3 weight 0.11000E+01 volume 0.36718E-04 ppm1 7.403 ppm2 0.387 CV 1 ASSI { 556} (( segid "ENHF" and resid 5 and name HN )) ( segid "ENHF" and resid 36 and name HD2%) 5.800 5.800 0.200 peak 556 spectrum 3 weight 0.10000E+01 volume 0.26602E-04 ppm1 8.319 ppm2 0.648 CV 1 ASSI { 557} (( segid "ENHF" and resid 5 and name HN )) (( segid "ENHF" and resid 4 and name HD1 )) 6.000 4.500 0.000 peak 557 spectrum 3 weight 0.11000E+01 volume 0.27281E-04 ppm1 8.317 ppm2 7.278 CV 1 ASSI { 558} (( segid "ENHF" and resid 5 and name HN )) (( segid "ENHF" and resid 4 and name HE3 )) 6.000 4.000 0.000 peak 558 spectrum 3 weight 0.10000E+01 volume 0.28747E-04 ppm1 8.320 ppm2 7.452 CV 1 OR { 558} (( segid "ENHF" and resid 5 and name HN )) (( segid "ENHF" and resid 4 and name HN )) ASSI { 559} (( segid "ENHF" and resid 23 and name HN )) ( segid "ENHF" and resid 22 and name HG2%) 6.000 4.000 0.000 peak 559 spectrum 3 weight 0.10000E+01 volume 0.31642E-04 ppm1 8.316 ppm2 0.824 CV 1 ASSI { 561} (( segid "ENHF" and resid 32 and name HN )) (( segid "ENHF" and resid 29 and name HB1 )) 5.200 2.700 0.800 peak 561 spectrum 3 weight 0.11000E+01 volume 0.39196E-04 ppm1 8.000 ppm2 2.140 CV 1 ASSI { 562} (( segid "ENHF" and resid 7 and name HD21)) (( segid "ENHF" and resid 7 and name HA )) 5.400 2.900 0.600 peak 562 spectrum 3 weight 0.11000E+01 volume 0.56586E-04 ppm1 7.680 ppm2 4.503 CV 1 ASSI { 563} (( segid "ENHF" and resid 20 and name HE21)) (( segid "ENHF" and resid 20 and name HE22)) 1.700 0.300 0.500 peak 563 spectrum 3 weight 0.11000E+01 volume 0.31641E-01 ppm1 7.560 ppm2 6.849 CV 1 ASSI { 565} (( segid "ENHF" and resid 20 and name HE21)) (( segid "ENHF" and resid 20 and name HG2 )) 5.300 2.800 0.700 peak 565 spectrum 3 weight 0.10000E+01 volume 0.52453E-04 ppm1 7.560 ppm2 2.352 CV 1 OR { 565} (( segid "ENHF" and resid 20 and name HE21)) (( segid "ENHF" and resid 20 and name HG1 )) ASSI { 566} (( segid "ENHF" and resid 37 and name HD22)) (( segid "ENHF" and resid 41 and name HA )) 6.000 5.000 0.000 peak 566 spectrum 3 weight 0.10000E+01 volume 0.26967E-04 ppm1 6.965 ppm2 3.437 CV 1 ASSI { 567} (( segid "ENHF" and resid 43 and name HE21)) (( segid "ENHF" and resid 43 and name HG1 )) 4.400 1.900 1.600 peak 567 spectrum 3 weight 0.10000E+01 volume 0.13334E-03 ppm1 7.696 ppm2 2.554 CV 1 ASSI { 568} (( segid "ENHF" and resid 43 and name HE21)) (( segid "ENHF" and resid 43 and name HG2 )) 5.000 2.500 1.000 peak 568 spectrum 3 weight 0.10000E+01 volume 0.80256E-04 ppm1 7.697 ppm2 2.366 CV 1 ASSI { 569} (( segid "ENHF" and resid 35 and name HN )) (( segid "ENHF" and resid 33 and name HA )) 5.900 3.500 0.100 peak 569 spectrum 3 weight 0.10000E+01 volume 0.31660E-04 ppm1 7.688 ppm2 3.947 CV 1 ASSI { 571} (( segid "ENHF" and resid 35 and name HN )) (( segid "ENHF" and resid 34 and name HB2 )) 5.500 3.000 0.500 peak 571 spectrum 3 weight 0.11000E+01 volume 0.37416E-04 ppm1 7.688 ppm2 1.374 CV 1 ASSI { 573} (( segid "ENHF" and resid 44 and name HN )) ( segid "ENHF" and resid 44 and name HD% ) 6.000 5.100 0.000 peak 573 spectrum 3 weight 0.10000E+01 volume 0.17443E-04 ppm1 8.368 ppm2 6.492 CV 1 ASSI { 1} (( segid "ENHF" and resid 4 and name HE1 )) ( segid "ENHF" and resid 44 and name HE% ) 5.000 3.200 1.000 peak 1 spectrum 4 weight 0.11000E+01 volume 0.50000E-03 ppm1 10.686 ppm2 6.790 CV 1 OR { 1} (( segid "ENHF" and resid 4 and name HE1 )) (( segid "ENHF" and resid 44 and name HZ )) ASSI { 2} ( segid "ENHF" and resid 30 and name HD% ) ( segid "ENHF" and resid 12 and name HD2%) 5.000 3.200 1.000 peak 2 spectrum 4 weight 0.11000E+01 volume 0.50000E-03 ppm1 6.452 ppm2 -0.041 CV 1 ASSI { 3} (( segid "ENHF" and resid 5 and name HA )) (( segid "ENHF" and resid 8 and name HB1 )) 5.000 3.200 1.000 peak 3 spectrum 4 weight 0.11000E+01 volume 0.50000E-03 ppm1 6.452 ppm2 -0.041 CV 1 ASSI { 4} (( segid "ENHF" and resid 6 and name HA )) (( segid "ENHF" and resid 10 and name HN )) 5.000 3.200 1.000 peak 4 spectrum 4 weight 0.11000E+01 volume 0.50000E-03 ppm1 6.452 ppm2 -0.041 CV 1 ASSI { 5} (( segid "ENHF" and resid 7 and name HA )) (( segid "ENHF" and resid 11 and name HN )) 5.000 3.200 1.000 peak 5 spectrum 4 weight 0.11000E+01 volume 0.50000E-03 ppm1 6.452 ppm2 -0.041 CV 1 ASSI { 6} (( segid "ENHF" and resid 8 and name HA )) (( segid "ENHF" and resid 12 and name HN )) 5.000 3.200 1.000 peak 6 spectrum 4 weight 0.11000E+01 volume 0.50000E-03 ppm1 6.452 ppm2 -0.041 CV 1 ASSI { 7} (( segid "ENHF" and resid 12 and name HN )) (( segid "ENHF" and resid 14 and name HN )) 5.000 3.200 1.000 peak 7 spectrum 4 weight 0.11000E+01 volume 0.50000E-03 ppm1 6.452 ppm2 -0.041 CV 1 ASSI { 8} (( segid "ENHF" and resid 16 and name HN )) (( segid "ENHF" and resid 18 and name HN )) 5.000 3.200 1.000 peak 8 spectrum 4 weight 0.11000E+01 volume 0.50000E-03 ppm1 6.452 ppm2 -0.041 CV 1 ASSI { 9} (( segid "ENHF" and resid 24 and name HN )) (( segid "ENHF" and resid 26 and name HN )) 5.000 3.200 1.000 peak 9 spectrum 4 weight 0.11000E+01 volume 0.50000E-03 ppm1 6.452 ppm2 -0.041 CV 1 ASSI { 10} (( segid "ENHF" and resid 15 and name HA )) (( segid "ENHF" and resid 17 and name HN )) 5.000 3.200 1.000 peak 10 spectrum 4 weight 0.11000E+01 volume 0.50000E-03 ppm1 6.452 ppm2 -0.041 CV 1 ASSI { 11} (( segid "ENHF" and resid 16 and name HA )) (( segid "ENHF" and resid 18 and name HN )) 5.000 3.200 1.000 peak 11 spectrum 4 weight 0.11000E+01 volume 0.50000E-03 ppm1 6.452 ppm2 -0.041 CV 1 ASSI { 12} (( segid "ENHF" and resid 16 and name HN )) (( segid "ENHF" and resid 18 and name HN )) 5.000 3.200 1.000 peak 12 spectrum 4 weight 0.11000E+01 volume 0.50000E-03 ppm1 6.452 ppm2 -0.041 CV 1 ASSI { 13} (( segid "ENHF" and resid 29 and name HN )) (( segid "ENHF" and resid 31 and name HN )) 5.000 3.200 1.000 peak 13 spectrum 4 weight 0.11000E+01 volume 0.50000E-03 ppm1 6.452 ppm2 -0.041 CV 1 ASSI { 14} (( segid "ENHF" and resid 38 and name HA )) (( segid "ENHF" and resid 42 and name HN )) 5.000 3.200 1.000 peak 14 spectrum 4 weight 0.11000E+01 volume 0.50000E-03 ppm1 6.452 ppm2 -0.041 CV 1 ASSI { 15} (( segid "ENHF" and resid 41 and name HN )) (( segid "ENHF" and resid 43 and name HN )) 5.000 3.200 1.000 peak 15 spectrum 4 weight 0.11000E+01 volume 0.50000E-03 ppm1 6.452 ppm2 -0.041 CV 1 ASSI { 16} (( segid "ENHF" and resid 41 and name HA )) (( segid "ENHF" and resid 45 and name HN )) 5.000 3.200 1.000 peak 16 spectrum 4 weight 0.11000E+01 volume 0.50000E-03 ppm1 6.452 ppm2 -0.041 CV 1 ASSI { 17} (( segid "ENHF" and resid 46 and name HN )) (( segid "ENHF" and resid 48 and name HN )) 5.000 3.200 1.000 peak 17 spectrum 4 weight 0.11000E+01 volume 0.50000E-03 ppm1 6.452 ppm2 -0.041 CV 1 ASSI { 18} (( segid "ENHF" and resid 13 and name HA )) (( segid "ENHF" and resid 17 and name HN )) 5.000 3.200 1.000 peak 18 spectrum 4 weight 0.11000E+01 volume 0.50000E-03 ppm1 6.452 ppm2 -0.041 CV 1 ASSI { 19} ( segid "ENHF" and resid 27 and name HD1% ) (( segid "ENHF" and resid 45 and name HZ )) 5.000 3.200 1.000 peak 19 spectrum 4 weight 0.11000E+01 volume 0.50000E-03 ppm1 6.452 ppm2 -0.041 CV 1
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