NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
544385 | 2lcr | 17628 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 6} (( segid "alk1" and resid 59 and name HN )) (( segid "alk1" and resid 58 and name HG1 )) 3.500 1.500 1.500 peak 6 spectrum 1 weight 0.11000E+01 volume 0.72418E-03 ppm1 7.345 ppm2 2.088 CV 1 OR { 6} (( segid "alk1" and resid 59 and name HN )) (( segid "alk1" and resid 58 and name HB1 )) ASSI { 7} (( segid "alk1" and resid 59 and name HN )) (( segid "alk1" and resid 59 and name HG )) 2.400 0.700 0.700 peak 7 spectrum 1 weight 0.11000E+01 volume 0.42223E-02 ppm1 7.344 ppm2 1.537 CV 1 ASSI { 8} (( segid "alk1" and resid 59 and name HN )) (( segid "alk1" and resid 59 and name HB2 )) 2.500 0.800 0.800 peak 8 spectrum 1 weight 0.11000E+01 volume 0.30394E-02 ppm1 7.344 ppm2 1.406 CV 1 ASSI { 9} (( segid "alk1" and resid 59 and name HN )) (( segid "alk1" and resid 59 and name HB1 )) 3.500 1.500 1.500 peak 9 spectrum 1 weight 0.11000E+01 volume 0.18595E-02 ppm1 7.344 ppm2 0.896 CV 1 ASSI { 10} (( segid "alk1" and resid 59 and name HN )) ( segid "alk1" and resid 59 and name HD1%) 3.300 1.400 1.400 peak 10 spectrum 1 weight 0.11000E+01 volume 0.29990E-02 ppm1 7.345 ppm2 0.793 CV 1 ASSI { 11} (( segid "alk1" and resid 59 and name HN )) ( segid "alk1" and resid 59 and name HD2%) 3.500 1.500 1.500 peak 11 spectrum 1 weight 0.11000E+01 volume 0.15985E-02 ppm1 7.344 ppm2 0.734 CV 1 ASSI { 12} (( segid "alk1" and resid 24 and name HN )) (( segid "alk1" and resid 21 and name HB1 )) 3.400 3.400 2.600 peak 12 spectrum 1 weight 0.11000E+01 volume 0.21763E-03 ppm1 7.305 ppm2 3.993 CV 1 ASSI { 13} (( segid "alk1" and resid 24 and name HN )) (( segid "alk1" and resid 23 and name HB1 )) 4.900 3.000 1.100 peak 13 spectrum 1 weight 0.11000E+01 volume 0.23057E-03 ppm1 7.304 ppm2 3.309 CV 1 ASSI { 14} (( segid "alk1" and resid 24 and name HN )) (( segid "alk1" and resid 23 and name HB2 )) 3.500 1.600 1.600 peak 14 spectrum 1 weight 0.11000E+01 volume 0.72877E-03 ppm1 7.305 ppm2 2.933 CV 1 ASSI { 15} (( segid "alk1" and resid 24 and name HN )) (( segid "alk1" and resid 23 and name HA )) 3.100 1.200 1.200 peak 15 spectrum 1 weight 0.11000E+01 volume 0.10642E-02 ppm1 7.303 ppm2 4.680 CV 1 ASSI { 16} (( segid "alk1" and resid 24 and name HN )) (( segid "alk1" and resid 24 and name HA )) 2.500 0.800 0.800 peak 16 spectrum 1 weight 0.11000E+01 volume 0.30576E-02 ppm1 7.303 ppm2 4.374 CV 1 ASSI { 17} (( segid "alk1" and resid 24 and name HN )) (( segid "alk1" and resid 24 and name HB1 )) 2.900 1.100 1.100 peak 17 spectrum 1 weight 0.11000E+01 volume 0.23187E-02 ppm1 7.302 ppm2 3.532 CV 1 ASSI { 18} (( segid "alk1" and resid 24 and name HN )) (( segid "alk1" and resid 24 and name HB2 )) 2.400 0.700 0.700 peak 18 spectrum 1 weight 0.11000E+01 volume 0.40232E-02 ppm1 7.303 ppm2 3.054 CV 1 ASSI { 19} (( segid "alk1" and resid 82 and name HN )) (( segid "alk1" and resid 81 and name HA )) 3.300 1.300 1.300 peak 19 spectrum 1 weight 0.11000E+01 volume 0.87836E-03 ppm1 6.693 ppm2 4.568 CV 1 ASSI { 20} (( segid "alk1" and resid 82 and name HN )) (( segid "alk1" and resid 79 and name HA )) 4.700 2.700 1.300 peak 20 spectrum 1 weight 0.11000E+01 volume 0.19958E-03 ppm1 6.694 ppm2 4.435 CV 1 ASSI { 21} (( segid "alk1" and resid 82 and name HN )) (( segid "alk1" and resid 82 and name HA )) 2.900 1.100 1.100 peak 21 spectrum 1 weight 0.11000E+01 volume 0.17478E-02 ppm1 6.693 ppm2 3.850 CV 1 ASSI { 22} (( segid "alk1" and resid 82 and name HN )) (( segid "alk1" and resid 82 and name HB )) 2.500 0.800 0.800 peak 22 spectrum 1 weight 0.11000E+01 volume 0.46122E-02 ppm1 6.693 ppm2 1.533 CV 1 ASSI { 23} (( segid "alk1" and resid 82 and name HN )) ( segid "alk1" and resid 36 and name HG1%) 5.800 4.100 0.200 peak 23 spectrum 1 weight 0.11000E+01 volume 0.36209E-03 ppm1 6.694 ppm2 1.138 CV 1 ASSI { 24} (( segid "alk1" and resid 82 and name HN )) ( segid "alk1" and resid 82 and name HG1%) 2.500 0.800 0.800 peak 24 spectrum 1 weight 0.11000E+01 volume 0.42025E-02 ppm1 6.693 ppm2 0.802 CV 1 ASSI { 28} (( segid "alk1" and resid 54 and name HD21)) (( segid "alk1" and resid 54 and name HB1 )) 3.500 1.500 1.500 peak 28 spectrum 1 weight 0.11000E+01 volume 0.51127E-03 ppm1 6.959 ppm2 2.476 CV 1 ASSI { 30} (( segid "alk1" and resid 47 and name HE21)) (( segid "alk1" and resid 47 and name HG2 )) 3.400 1.500 1.500 peak 30 spectrum 1 weight 0.11000E+01 volume 0.55666E-03 ppm1 6.891 ppm2 2.337 CV 1 OR { 30} (( segid "alk1" and resid 47 and name HE21)) (( segid "alk1" and resid 47 and name HG1 )) ASSI { 35} (( segid "alk1" and resid 33 and name HE1 )) (( segid "alk1" and resid 53 and name HA2 )) 4.800 2.900 1.200 peak 35 spectrum 1 weight 0.11000E+01 volume 0.62757E-03 ppm1 9.884 ppm2 2.242 CV 1 ASSI { 36} (( segid "alk1" and resid 33 and name HE1 )) ( segid "alk1" and resid 35 and name HG2%) 2.700 0.900 0.900 peak 36 spectrum 1 weight 0.11000E+01 volume 0.30198E-02 ppm1 9.884 ppm2 1.236 CV 1 ASSI { 39} (( segid "alk1" and resid 19 and name HN )) (( segid "alk1" and resid 18 and name HA )) 2.400 0.700 0.700 peak 39 spectrum 1 weight 0.11000E+01 volume 0.43162E-02 ppm1 8.228 ppm2 4.008 CV 1 ASSI { 42} (( segid "alk1" and resid 19 and name HN )) ( segid "alk1" and resid 18 and name HG2%) 2.900 1.000 1.000 peak 42 spectrum 1 weight 0.11000E+01 volume 0.24752E-02 ppm1 8.228 ppm2 1.223 CV 1 ASSI { 43} (( segid "alk1" and resid 19 and name HN )) ( segid "alk1" and resid 28 and name HG2%) 3.500 1.500 1.500 peak 43 spectrum 1 weight 0.11000E+01 volume 0.81909E-03 ppm1 8.228 ppm2 0.988 CV 1 ASSI { 44} (( segid "alk1" and resid 38 and name HN )) (( segid "alk1" and resid 38 and name HA )) 2.800 1.000 1.000 peak 44 spectrum 1 weight 0.11000E+01 volume 0.18995E-02 ppm1 8.453 ppm2 4.884 CV 1 ASSI { 45} (( segid "alk1" and resid 38 and name HN )) (( segid "alk1" and resid 37 and name HA )) 2.500 0.800 0.800 peak 45 spectrum 1 weight 0.11000E+01 volume 0.36487E-02 ppm1 8.453 ppm2 4.794 CV 1 ASSI { 46} (( segid "alk1" and resid 38 and name HN )) (( segid "alk1" and resid 38 and name HB1 )) 2.800 1.000 1.000 peak 46 spectrum 1 weight 0.11000E+01 volume 0.15557E-02 ppm1 8.454 ppm2 1.675 CV 1 ASSI { 47} (( segid "alk1" and resid 38 and name HN )) (( segid "alk1" and resid 38 and name HB2 )) 3.200 1.300 1.300 peak 47 spectrum 1 weight 0.11000E+01 volume 0.14729E-02 ppm1 8.453 ppm2 1.446 CV 1 ASSI { 50} (( segid "alk1" and resid 20 and name HN )) (( segid "alk1" and resid 19 and name HA )) 2.100 0.500 0.500 peak 50 spectrum 1 weight 0.11000E+01 volume 0.72562E-02 ppm1 9.104 ppm2 5.037 CV 1 ASSI { 54} (( segid "alk1" and resid 20 and name HN )) (( segid "alk1" and resid 20 and name HB1 )) 3.000 1.100 1.100 peak 54 spectrum 1 weight 0.11000E+01 volume 0.95972E-03 ppm1 9.105 ppm2 2.043 CV 1 ASSI { 55} (( segid "alk1" and resid 20 and name HN )) (( segid "alk1" and resid 20 and name HB2 )) 2.600 0.900 0.900 peak 55 spectrum 1 weight 0.11000E+01 volume 0.29373E-02 ppm1 9.104 ppm2 1.829 CV 1 ASSI { 56} (( segid "alk1" and resid 20 and name HN )) (( segid "alk1" and resid 19 and name HB2 )) 4.300 2.300 1.700 peak 56 spectrum 1 weight 0.11000E+01 volume 0.41174E-03 ppm1 9.105 ppm2 1.622 CV 1 ASSI { 58} (( segid "alk1" and resid 20 and name HN )) ( segid "alk1" and resid 18 and name HG2%) 4.000 2.000 2.000 peak 58 spectrum 1 weight 0.11000E+01 volume 0.33735E-03 ppm1 9.105 ppm2 1.225 CV 1 ASSI { 61} (( segid "alk1" and resid 40 and name HN )) ( segid "alk1" and resid 39 and name HG1%) 3.200 1.300 1.300 peak 61 spectrum 1 weight 0.11000E+01 volume 0.16035E-02 ppm1 8.668 ppm2 0.792 CV 1 ASSI { 62} (( segid "alk1" and resid 40 and name HN )) (( segid "alk1" and resid 40 and name HA )) 3.200 1.300 1.300 peak 62 spectrum 1 weight 0.11000E+01 volume 0.96599E-03 ppm1 8.666 ppm2 4.513 CV 1 ASSI { 63} (( segid "alk1" and resid 40 and name HN )) (( segid "alk1" and resid 39 and name HA )) 2.300 0.700 0.700 peak 63 spectrum 1 weight 0.11000E+01 volume 0.57698E-02 ppm1 8.667 ppm2 4.383 CV 1 ASSI { 67} (( segid "alk1" and resid 84 and name HN )) (( segid "alk1" and resid 83 and name HA )) 3.000 1.100 1.100 peak 67 spectrum 1 weight 0.11000E+01 volume 0.13360E-02 ppm1 9.621 ppm2 4.847 CV 1 ASSI { 68} (( segid "alk1" and resid 84 and name HN )) (( segid "alk1" and resid 84 and name HA )) 3.800 1.800 1.800 peak 68 spectrum 1 weight 0.11000E+01 volume 0.36745E-03 ppm1 9.621 ppm2 4.366 CV 1 ASSI { 69} (( segid "alk1" and resid 84 and name HN )) (( segid "alk1" and resid 84 and name HB2 )) 3.100 1.200 1.200 peak 69 spectrum 1 weight 0.11000E+01 volume 0.13740E-02 ppm1 9.621 ppm2 1.541 CV 1 OR { 69} (( segid "alk1" and resid 84 and name HN )) (( segid "alk1" and resid 84 and name HB1 )) ASSI { 70} (( segid "alk1" and resid 84 and name HN )) (( segid "alk1" and resid 84 and name HG )) 3.600 1.600 1.600 peak 70 spectrum 1 weight 0.11000E+01 volume 0.87185E-03 ppm1 9.622 ppm2 1.418 CV 1 ASSI { 76} (( segid "alk1" and resid 8 and name HN )) (( segid "alk1" and resid 8 and name HA )) 3.600 1.600 1.600 peak 76 spectrum 1 weight 0.11000E+01 volume 0.46420E-03 ppm1 8.282 ppm2 4.573 CV 1 ASSI { 78} (( segid "alk1" and resid 8 and name HN )) (( segid "alk1" and resid 7 and name HB )) 5.200 3.400 0.800 peak 78 spectrum 1 weight 0.11000E+01 volume 0.78074E-04 ppm1 8.274 ppm2 2.013 CV 1 ASSI { 79} (( segid "alk1" and resid 8 and name HN )) (( segid "alk1" and resid 8 and name HB1 )) 4.700 2.800 1.300 peak 79 spectrum 1 weight 0.11000E+01 volume 0.27489E-03 ppm1 8.273 ppm2 1.798 CV 1 ASSI { 80} (( segid "alk1" and resid 8 and name HN )) (( segid "alk1" and resid 8 and name HB2 )) 3.100 1.200 1.200 peak 80 spectrum 1 weight 0.11000E+01 volume 0.14632E-02 ppm1 8.274 ppm2 1.691 CV 1 ASSI { 81} (( segid "alk1" and resid 8 and name HN )) ( segid "alk1" and resid 7 and name HG1%) 4.300 2.300 1.700 peak 81 spectrum 1 weight 0.11000E+01 volume 0.34379E-03 ppm1 8.274 ppm2 0.894 CV 1 ASSI { 82} (( segid "alk1" and resid 39 and name HN )) (( segid "alk1" and resid 38 and name HA )) 2.300 0.600 0.600 peak 82 spectrum 1 weight 0.11000E+01 volume 0.50323E-02 ppm1 8.870 ppm2 4.896 CV 1 ASSI { 83} (( segid "alk1" and resid 39 and name HN )) (( segid "alk1" and resid 39 and name HA )) 3.600 1.600 1.600 peak 83 spectrum 1 weight 0.11000E+01 volume 0.45398E-03 ppm1 8.870 ppm2 4.383 CV 1 ASSI { 85} (( segid "alk1" and resid 39 and name HN )) (( segid "alk1" and resid 39 and name HB )) 2.700 0.900 0.900 peak 85 spectrum 1 weight 0.11000E+01 volume 0.25303E-02 ppm1 8.872 ppm2 1.734 CV 1 ASSI { 86} (( segid "alk1" and resid 39 and name HN )) (( segid "alk1" and resid 38 and name HG )) 3.900 1.900 1.900 peak 86 spectrum 1 weight 0.11000E+01 volume 0.40185E-03 ppm1 8.870 ppm2 1.405 CV 1 ASSI { 87} (( segid "alk1" and resid 39 and name HN )) ( segid "alk1" and resid 38 and name HD1%) 2.700 0.900 0.900 peak 87 spectrum 1 weight 0.11000E+01 volume 0.30980E-02 ppm1 8.869 ppm2 0.774 CV 1 ASSI { 88} (( segid "alk1" and resid 39 and name HN )) ( segid "alk1" and resid 39 and name HG2%) 3.000 1.100 1.100 peak 88 spectrum 1 weight 0.11000E+01 volume 0.13655E-02 ppm1 8.870 ppm2 0.591 CV 1 ASSI { 92} (( segid "alk1" and resid 71 and name HN )) (( segid "alk1" and resid 70 and name HB1 )) 4.600 2.600 1.400 peak 92 spectrum 1 weight 0.11000E+01 volume 0.43386E-03 ppm1 9.069 ppm2 3.339 CV 1 ASSI { 93} (( segid "alk1" and resid 71 and name HN )) ( segid "alk1" and resid 37 and name HG2%) 3.100 1.200 1.200 peak 93 spectrum 1 weight 0.11000E+01 volume 0.35642E-03 ppm1 9.070 ppm2 0.764 CV 1 ASSI { 94} (( segid "alk1" and resid 71 and name HN )) ( segid "alk1" and resid 84 and name HD2%) 4.700 2.800 1.300 peak 94 spectrum 1 weight 0.11000E+01 volume 0.32003E-03 ppm1 9.072 ppm2 0.572 CV 1 ASSI { 95} (( segid "alk1" and resid 71 and name HN )) (( segid "alk1" and resid 70 and name HA )) 2.200 0.600 0.600 peak 95 spectrum 1 weight 0.11000E+01 volume 0.58016E-02 ppm1 9.069 ppm2 5.056 CV 1 ASSI { 96} (( segid "alk1" and resid 71 and name HN )) (( segid "alk1" and resid 71 and name HA )) 3.000 1.100 1.100 peak 96 spectrum 1 weight 0.11000E+01 volume 0.15713E-02 ppm1 9.068 ppm2 4.947 CV 1 ASSI { 97} (( segid "alk1" and resid 71 and name HN )) (( segid "alk1" and resid 71 and name HB1 )) 2.500 0.800 0.800 peak 97 spectrum 1 weight 0.11000E+01 volume 0.33755E-02 ppm1 9.069 ppm2 2.957 CV 1 ASSI { 98} (( segid "alk1" and resid 71 and name HN )) (( segid "alk1" and resid 71 and name HB2 )) 2.800 1.000 1.000 peak 98 spectrum 1 weight 0.11000E+01 volume 0.23418E-02 ppm1 9.068 ppm2 2.841 CV 1 ASSI { 99} (( segid "alk1" and resid 71 and name HN )) (( segid "alk1" and resid 36 and name HB )) 5.300 3.600 0.700 peak 99 spectrum 1 weight 0.11000E+01 volume 0.14431E-03 ppm1 9.068 ppm2 1.951 CV 1 ASSI { 102} (( segid "alk1" and resid 37 and name HN )) (( segid "alk1" and resid 36 and name HA )) 2.200 0.600 0.600 peak 102 spectrum 1 weight 0.11000E+01 volume 0.57745E-02 ppm1 9.044 ppm2 4.755 CV 1 ASSI { 103} (( segid "alk1" and resid 37 and name HN )) (( segid "alk1" and resid 37 and name HB )) 2.900 1.000 1.000 peak 103 spectrum 1 weight 0.11000E+01 volume 0.28764E-02 ppm1 9.046 ppm2 1.839 CV 1 ASSI { 104} (( segid "alk1" and resid 37 and name HN )) ( segid "alk1" and resid 36 and name HG1%) 4.600 2.600 1.400 peak 104 spectrum 1 weight 0.11000E+01 volume 0.43785E-03 ppm1 9.045 ppm2 1.135 CV 1 ASSI { 105} (( segid "alk1" and resid 37 and name HN )) ( segid "alk1" and resid 36 and name HG2%) 2.800 1.000 1.000 peak 105 spectrum 1 weight 0.11000E+01 volume 0.30331E-02 ppm1 9.045 ppm2 0.897 CV 1 ASSI { 106} (( segid "alk1" and resid 37 and name HN )) ( segid "alk1" and resid 37 and name HG2%) 3.200 1.200 1.200 peak 106 spectrum 1 weight 0.11000E+01 volume 0.10364E-02 ppm1 9.045 ppm2 0.777 CV 1 ASSI { 109} (( segid "alk1" and resid 17 and name HN )) (( segid "alk1" and resid 16 and name HA )) 2.200 0.600 0.600 peak 109 spectrum 1 weight 0.11000E+01 volume 0.66082E-02 ppm1 9.165 ppm2 4.885 CV 1 ASSI { 110} (( segid "alk1" and resid 17 and name HN )) (( segid "alk1" and resid 17 and name HB1 )) 4.600 2.700 1.400 peak 110 spectrum 1 weight 0.11000E+01 volume 0.26520E-03 ppm1 9.166 ppm2 2.962 CV 1 ASSI { 111} (( segid "alk1" and resid 17 and name HN )) (( segid "alk1" and resid 17 and name HB2 )) 2.900 1.100 1.100 peak 111 spectrum 1 weight 0.11000E+01 volume 0.12345E-02 ppm1 9.165 ppm2 2.854 CV 1 ASSI { 112} (( segid "alk1" and resid 17 and name HN )) (( segid "alk1" and resid 30 and name HG2 )) 5.200 3.400 0.800 peak 112 spectrum 1 weight 0.11000E+01 volume 0.20055E-03 ppm1 9.165 ppm2 1.592 CV 1 OR { 112} (( segid "alk1" and resid 17 and name HN )) (( segid "alk1" and resid 30 and name HG1 )) ASSI { 113} (( segid "alk1" and resid 17 and name HN )) ( segid "alk1" and resid 16 and name HG2%) 2.700 0.900 0.900 peak 113 spectrum 1 weight 0.11000E+01 volume 0.27243E-02 ppm1 9.166 ppm2 1.163 CV 1 ASSI { 115} (( segid "alk1" and resid 41 and name HN )) (( segid "alk1" and resid 40 and name HA )) 2.100 0.500 0.500 peak 115 spectrum 1 weight 0.11000E+01 volume 0.13717E-01 ppm1 8.458 ppm2 4.522 CV 1 ASSI { 116} (( segid "alk1" and resid 41 and name HN )) (( segid "alk1" and resid 41 and name HA )) 2.600 0.800 0.800 peak 116 spectrum 1 weight 0.11000E+01 volume 0.39132E-02 ppm1 8.458 ppm2 4.404 CV 1 ASSI { 118} (( segid "alk1" and resid 41 and name HN )) (( segid "alk1" and resid 41 and name HG2 )) 3.100 1.200 1.200 peak 118 spectrum 1 weight 0.11000E+01 volume 0.28242E-02 ppm1 8.459 ppm2 2.167 CV 1 OR { 118} (( segid "alk1" and resid 41 and name HN )) (( segid "alk1" and resid 41 and name HG1 )) ASSI { 120} (( segid "alk1" and resid 41 and name HN )) (( segid "alk1" and resid 41 and name HB1 )) 2.900 1.000 1.000 peak 120 spectrum 1 weight 0.11000E+01 volume 0.32419E-02 ppm1 8.458 ppm2 1.915 CV 1 ASSI { 123} (( segid "alk1" and resid 41 and name HN )) (( segid "alk1" and resid 40 and name HG1 )) 3.300 1.400 1.400 peak 123 spectrum 1 weight 0.11000E+01 volume 0.14415E-02 ppm1 8.460 ppm2 1.498 CV 1 ASSI { 124} (( segid "alk1" and resid 41 and name HN )) (( segid "alk1" and resid 40 and name HG2 )) 3.700 1.700 1.700 peak 124 spectrum 1 weight 0.11000E+01 volume 0.90085E-03 ppm1 8.459 ppm2 1.391 CV 1 ASSI { 126} (( segid "alk1" and resid 86 and name HN )) (( segid "alk1" and resid 86 and name HA )) 2.900 1.100 1.100 peak 126 spectrum 1 weight 0.11000E+01 volume 0.17320E-02 ppm1 8.058 ppm2 4.299 CV 1 ASSI { 128} (( segid "alk1" and resid 86 and name HN )) (( segid "alk1" and resid 86 and name HB1 )) 2.400 0.700 0.700 peak 128 spectrum 1 weight 0.11000E+01 volume 0.78345E-02 ppm1 8.058 ppm2 1.522 CV 1 OR { 128} (( segid "alk1" and resid 86 and name HN )) (( segid "alk1" and resid 86 and name HB2 )) ASSI { 129} (( segid "alk1" and resid 86 and name HN )) ( segid "alk1" and resid 85 and name HG2%) 2.800 1.000 1.000 peak 129 spectrum 1 weight 0.11000E+01 volume 0.41586E-02 ppm1 8.057 ppm2 0.788 CV 1 OR { 129} (( segid "alk1" and resid 86 and name HN )) ( segid "alk1" and resid 85 and name HG1%) ASSI { 130} (( segid "alk1" and resid 101 and name HN )) (( segid "alk1" and resid 101 and name HA )) 4.000 2.000 2.000 peak 130 spectrum 1 weight 0.11000E+01 volume 0.33715E-03 ppm1 7.790 ppm2 4.148 CV 1 ASSI { 131} (( segid "alk1" and resid 86 and name HN )) (( segid "alk1" and resid 85 and name HA )) 2.400 0.700 0.700 peak 131 spectrum 1 weight 0.11000E+01 volume 0.54376E-02 ppm1 8.056 ppm2 3.941 CV 1 ASSI { 132} (( segid "alk1" and resid 101 and name HN )) (( segid "alk1" and resid 101 and name HG2 )) 4.900 3.000 1.100 peak 132 spectrum 1 weight 0.11000E+01 volume 0.14901E-03 ppm1 7.780 ppm2 2.247 CV 1 OR { 132} (( segid "alk1" and resid 101 and name HN )) (( segid "alk1" and resid 101 and name HG1 )) ASSI { 133} (( segid "alk1" and resid 101 and name HN )) (( segid "alk1" and resid 101 and name HB2 )) 3.500 1.600 1.600 peak 133 spectrum 1 weight 0.11000E+01 volume 0.72589E-03 ppm1 7.779 ppm2 1.922 CV 1 ASSI { 134} (( segid "alk1" and resid 101 and name HN )) (( segid "alk1" and resid 87 and name HA )) 3.000 3.000 3.000 peak 134 spectrum 1 weight 0.11000E+01 volume 0.45716E-03 ppm1 7.770 ppm2 4.187 CV 1 ASSI { 136} (( segid "alk1" and resid 57 and name HN )) (( segid "alk1" and resid 56 and name HA )) 3.300 1.300 1.300 peak 136 spectrum 1 weight 0.11000E+01 volume 0.81299E-03 ppm1 8.867 ppm2 4.992 CV 1 ASSI { 137} (( segid "alk1" and resid 88 and name HN )) (( segid "alk1" and resid 88 and name HA )) 2.900 1.000 1.000 peak 137 spectrum 1 weight 0.11000E+01 volume 0.23230E-02 ppm1 8.161 ppm2 4.303 CV 1 ASSI { 138} (( segid "alk1" and resid 88 and name HN )) (( segid "alk1" and resid 87 and name HA )) 2.400 0.700 0.700 peak 138 spectrum 1 weight 0.11000E+01 volume 0.60262E-02 ppm1 8.161 ppm2 4.189 CV 1 ASSI { 139} (( segid "alk1" and resid 88 and name HN )) (( segid "alk1" and resid 87 and name HG1 )) 4.600 2.700 1.400 peak 139 spectrum 1 weight 0.11000E+01 volume 0.19766E-03 ppm1 8.161 ppm2 2.200 CV 1 OR { 139} (( segid "alk1" and resid 88 and name HN )) (( segid "alk1" and resid 87 and name HG2 )) ASSI { 140} (( segid "alk1" and resid 88 and name HN )) (( segid "alk1" and resid 87 and name HB2 )) 3.800 3.800 2.200 peak 140 spectrum 1 weight 0.11000E+01 volume 0.90018E-03 ppm1 8.161 ppm2 1.974 CV 1 ASSI { 141} (( segid "alk1" and resid 88 and name HN )) (( segid "alk1" and resid 87 and name HB1 )) 3.800 1.800 1.800 peak 141 spectrum 1 weight 0.11000E+01 volume 0.47902E-03 ppm1 8.161 ppm2 1.835 CV 1 ASSI { 142} (( segid "alk1" and resid 88 and name HN )) ( segid "alk1" and resid 88 and name HB% ) 2.700 0.900 0.900 peak 142 spectrum 1 weight 0.11000E+01 volume 0.47037E-02 ppm1 8.161 ppm2 1.343 CV 1 ASSI { 143} (( segid "alk1" and resid 88 and name HN )) ( segid "alk1" and resid 85 and name HG2%) 3.600 1.600 1.600 peak 143 spectrum 1 weight 0.11000E+01 volume 0.15449E-03 ppm1 8.162 ppm2 0.791 CV 1 ASSI { 161} (( segid "alk1" and resid 72 and name HN )) (( segid "alk1" and resid 71 and name HA )) 2.400 0.700 0.700 peak 161 spectrum 1 weight 0.11000E+01 volume 0.65643E-02 ppm1 7.905 ppm2 4.942 CV 1 ASSI { 162} (( segid "alk1" and resid 72 and name HN )) (( segid "alk1" and resid 72 and name HB1 )) 3.300 1.300 1.300 peak 162 spectrum 1 weight 0.11000E+01 volume 0.18131E-02 ppm1 7.903 ppm2 2.914 CV 1 ASSI { 165} (( segid "alk1" and resid 32 and name HN )) (( segid "alk1" and resid 52 and name HB2 )) 4.000 2.000 2.000 peak 165 spectrum 1 weight 0.11000E+01 volume 0.34114E-03 ppm1 7.735 ppm2 2.467 CV 1 ASSI { 166} (( segid "alk1" and resid 32 and name HN )) ( segid "alk1" and resid 15 and name HG2%) 6.000 6.000 0.000 peak 166 spectrum 1 weight 0.11000E+01 volume 0.26659E-04 ppm1 7.735 ppm2 0.774 CV 1 OR { 166} (( segid "alk1" and resid 32 and name HN )) ( segid "alk1" and resid 15 and name HG1%) ASSI { 169} (( segid "alk1" and resid 32 and name HN )) (( segid "alk1" and resid 31 and name HA2 )) 3.200 1.300 1.300 peak 169 spectrum 1 weight 0.11000E+01 volume 0.34285E-02 ppm1 7.734 ppm2 3.336 CV 1 ASSI { 170} (( segid "alk1" and resid 32 and name HN )) ( segid "alk1" and resid 32 and name HB% ) 2.300 0.700 0.700 peak 170 spectrum 1 weight 0.11000E+01 volume 0.70376E-02 ppm1 7.734 ppm2 1.496 CV 1 ASSI { 172} (( segid "alk1" and resid 32 and name HN )) (( segid "alk1" and resid 14 and name HA )) 5.500 5.500 0.500 peak 172 spectrum 1 weight 0.11000E+01 volume 0.54067E-04 ppm1 7.771 ppm2 4.522 CV 1 ASSI { 173} (( segid "alk1" and resid 90 and name HN )) (( segid "alk1" and resid 90 and name HA )) 3.300 1.400 1.400 peak 173 spectrum 1 weight 0.11000E+01 volume 0.91322E-03 ppm1 8.222 ppm2 4.615 CV 1 ASSI { 174} (( segid "alk1" and resid 90 and name HN )) (( segid "alk1" and resid 89 and name HA )) 2.400 0.700 0.700 peak 174 spectrum 1 weight 0.11000E+01 volume 0.70179E-02 ppm1 8.217 ppm2 4.267 CV 1 ASSI { 176} (( segid "alk1" and resid 90 and name HN )) (( segid "alk1" and resid 90 and name HG1 )) 3.500 1.600 1.600 peak 176 spectrum 1 weight 0.11000E+01 volume 0.10467E-02 ppm1 8.218 ppm2 2.348 CV 1 OR { 176} (( segid "alk1" and resid 90 and name HN )) (( segid "alk1" and resid 90 and name HG2 )) ASSI { 177} (( segid "alk1" and resid 90 and name HN )) (( segid "alk1" and resid 90 and name HB1 )) 3.700 1.700 1.700 peak 177 spectrum 1 weight 0.11000E+01 volume 0.11817E-02 ppm1 8.217 ppm2 2.046 CV 1 ASSI { 179} (( segid "alk1" and resid 90 and name HN )) ( segid "alk1" and resid 89 and name HG2%) 4.300 2.300 1.700 peak 179 spectrum 1 weight 0.11000E+01 volume 0.44644E-03 ppm1 8.218 ppm2 1.152 CV 1 ASSI { 185} (( segid "alk1" and resid 21 and name HN )) (( segid "alk1" and resid 25 and name HA )) 3.400 1.400 1.400 peak 185 spectrum 1 weight 0.11000E+01 volume 0.95499E-03 ppm1 7.771 ppm2 4.387 CV 1 ASSI { 188} (( segid "alk1" and resid 21 and name HN )) (( segid "alk1" and resid 22 and name HD2 )) 5.300 3.500 0.700 peak 188 spectrum 1 weight 0.11000E+01 volume 0.11028E-03 ppm1 7.771 ppm2 3.180 CV 1 ASSI { 189} (( segid "alk1" and resid 21 and name HN )) (( segid "alk1" and resid 25 and name HE1 )) 3.300 3.300 2.700 peak 189 spectrum 1 weight 0.11000E+01 volume 0.11756E-02 ppm1 7.771 ppm2 3.055 CV 1 OR { 189} (( segid "alk1" and resid 21 and name HN )) (( segid "alk1" and resid 25 and name HE2 )) ASSI { 190} (( segid "alk1" and resid 21 and name HN )) (( segid "alk1" and resid 20 and name HG1 )) 4.300 4.300 1.700 peak 190 spectrum 1 weight 0.11000E+01 volume 0.47064E-03 ppm1 7.772 ppm2 2.258 CV 1 OR { 190} (( segid "alk1" and resid 21 and name HN )) (( segid "alk1" and resid 20 and name HG2 )) ASSI { 191} (( segid "alk1" and resid 21 and name HN )) (( segid "alk1" and resid 20 and name HB1 )) 3.900 1.900 1.900 peak 191 spectrum 1 weight 0.11000E+01 volume 0.75046E-03 ppm1 7.771 ppm2 2.047 CV 1 ASSI { 192} (( segid "alk1" and resid 21 and name HN )) (( segid "alk1" and resid 20 and name HB2 )) 4.300 2.300 1.700 peak 192 spectrum 1 weight 0.11000E+01 volume 0.72790E-03 ppm1 7.771 ppm2 1.841 CV 1 ASSI { 194} (( segid "alk1" and resid 42 and name HN )) (( segid "alk1" and resid 42 and name HA )) 2.600 0.800 0.800 peak 194 spectrum 1 weight 0.11000E+01 volume 0.39468E-02 ppm1 8.629 ppm2 4.035 CV 1 ASSI { 195} (( segid "alk1" and resid 42 and name HN )) (( segid "alk1" and resid 42 and name HG2 )) 3.200 1.300 1.300 peak 195 spectrum 1 weight 0.11000E+01 volume 0.28279E-02 ppm1 8.628 ppm2 2.246 CV 1 OR { 195} (( segid "alk1" and resid 42 and name HN )) (( segid "alk1" and resid 42 and name HG1 )) ASSI { 197} (( segid "alk1" and resid 42 and name HN )) (( segid "alk1" and resid 42 and name HB2 )) 2.200 0.600 0.600 peak 197 spectrum 1 weight 0.11000E+01 volume 0.12716E-01 ppm1 8.629 ppm2 1.975 CV 1 OR { 197} (( segid "alk1" and resid 42 and name HN )) (( segid "alk1" and resid 42 and name HB1 )) ASSI { 198} (( segid "alk1" and resid 42 and name HN )) (( segid "alk1" and resid 41 and name HB2 )) 3.600 1.600 1.600 peak 198 spectrum 1 weight 0.11000E+01 volume 0.10988E-02 ppm1 8.630 ppm2 1.772 CV 1 ASSI { 200} (( segid "alk1" and resid 77 and name HN )) (( segid "alk1" and resid 17 and name HA )) 2.900 1.000 1.000 peak 200 spectrum 1 weight 0.11000E+01 volume 0.12898E-02 ppm1 9.771 ppm2 4.887 CV 1 ASSI { 201} (( segid "alk1" and resid 77 and name HN )) (( segid "alk1" and resid 76 and name HA )) 2.200 0.600 0.600 peak 201 spectrum 1 weight 0.11000E+01 volume 0.49146E-02 ppm1 9.772 ppm2 4.547 CV 1 ASSI { 202} (( segid "alk1" and resid 77 and name HN )) (( segid "alk1" and resid 78 and name HA )) 5.600 3.900 0.400 peak 202 spectrum 1 weight 0.11000E+01 volume 0.77960E-04 ppm1 9.772 ppm2 4.437 CV 1 ASSI { 203} (( segid "alk1" and resid 77 and name HN )) (( segid "alk1" and resid 77 and name HA )) 2.300 0.600 0.600 peak 203 spectrum 1 weight 0.11000E+01 volume 0.48174E-02 ppm1 9.772 ppm2 3.777 CV 1 ASSI { 204} (( segid "alk1" and resid 77 and name HN )) (( segid "alk1" and resid 76 and name HB1 )) 3.600 1.600 1.600 peak 204 spectrum 1 weight 0.11000E+01 volume 0.91882E-03 ppm1 9.771 ppm2 3.076 CV 1 OR { 204} (( segid "alk1" and resid 77 and name HN )) (( segid "alk1" and resid 76 and name HB2 )) ASSI { 205} (( segid "alk1" and resid 77 and name HN )) (( segid "alk1" and resid 77 and name HG )) 3.300 1.400 1.400 peak 205 spectrum 1 weight 0.11000E+01 volume 0.10634E-02 ppm1 9.772 ppm2 1.589 CV 1 OR { 205} (( segid "alk1" and resid 77 and name HN )) (( segid "alk1" and resid 77 and name HB2 )) OR { 205} (( segid "alk1" and resid 77 and name HN )) (( segid "alk1" and resid 77 and name HB1 )) ASSI { 206} (( segid "alk1" and resid 77 and name HN )) ( segid "alk1" and resid 15 and name HG1%) 4.300 2.300 1.700 peak 206 spectrum 1 weight 0.11000E+01 volume 0.64989E-03 ppm1 9.771 ppm2 0.789 CV 1 ASSI { 207} (( segid "alk1" and resid 77 and name HN )) ( segid "alk1" and resid 77 and name HD1%) 3.800 1.800 1.800 peak 207 spectrum 1 weight 0.11000E+01 volume 0.19203E-02 ppm1 9.772 ppm2 0.619 CV 1 ASSI { 208} (( segid "alk1" and resid 77 and name HN )) ( segid "alk1" and resid 77 and name HD2%) 2.800 1.000 1.000 peak 208 spectrum 1 weight 0.11000E+01 volume 0.31365E-02 ppm1 9.772 ppm2 0.544 CV 1 ASSI { 211} (( segid "alk1" and resid 49 and name HN )) (( segid "alk1" and resid 38 and name HA )) 3.700 1.700 1.700 peak 211 spectrum 1 weight 0.11000E+01 volume 0.46712E-03 ppm1 9.193 ppm2 4.886 CV 1 ASSI { 212} (( segid "alk1" and resid 49 and name HN )) (( segid "alk1" and resid 49 and name HB1 )) 3.800 1.800 1.800 peak 212 spectrum 1 weight 0.11000E+01 volume 0.99556E-03 ppm1 9.196 ppm2 3.150 CV 1 ASSI { 213} (( segid "alk1" and resid 49 and name HN )) (( segid "alk1" and resid 49 and name HB2 )) 2.800 0.900 0.900 peak 213 spectrum 1 weight 0.11000E+01 volume 0.16446E-02 ppm1 9.197 ppm2 3.037 CV 1 ASSI { 216} (( segid "alk1" and resid 49 and name HN )) ( segid "alk1" and resid 37 and name HG2%) 3.500 1.500 1.500 peak 216 spectrum 1 weight 0.11000E+01 volume 0.74564E-03 ppm1 9.194 ppm2 0.773 CV 1 ASSI { 220} (( segid "alk1" and resid 36 and name HN )) (( segid "alk1" and resid 72 and name HA )) 4.800 2.900 1.200 peak 220 spectrum 1 weight 0.11000E+01 volume 0.24712E-03 ppm1 8.842 ppm2 5.815 CV 1 ASSI { 223} (( segid "alk1" and resid 36 and name HN )) ( segid "alk1" and resid 35 and name HG2%) 3.900 1.900 1.900 peak 223 spectrum 1 weight 0.11000E+01 volume 0.12483E-02 ppm1 8.841 ppm2 1.237 CV 1 ASSI { 224} (( segid "alk1" and resid 36 and name HN )) ( segid "alk1" and resid 84 and name HD1%) 4.200 2.200 1.800 peak 224 spectrum 1 weight 0.11000E+01 volume 0.80229E-03 ppm1 8.836 ppm2 0.689 CV 1 ASSI { 231} (( segid "alk1" and resid 11 and name HN )) (( segid "alk1" and resid 55 and name HA )) 3.400 1.400 1.400 peak 231 spectrum 1 weight 0.11000E+01 volume 0.10653E-02 ppm1 8.329 ppm2 4.669 CV 1 ASSI { 232} (( segid "alk1" and resid 11 and name HN )) (( segid "alk1" and resid 11 and name HG2 )) 4.100 2.100 1.900 peak 232 spectrum 1 weight 0.11000E+01 volume 0.60463E-03 ppm1 8.328 ppm2 1.669 CV 1 OR { 232} (( segid "alk1" and resid 11 and name HN )) (( segid "alk1" and resid 11 and name HG1 )) ASSI { 233} (( segid "alk1" and resid 11 and name HN )) (( segid "alk1" and resid 8 and name HB1 )) 3.600 1.600 1.600 peak 233 spectrum 1 weight 0.11000E+01 volume 0.81949E-03 ppm1 8.324 ppm2 1.786 CV 1 ASSI { 234} (( segid "alk1" and resid 50 and name HN )) (( segid "alk1" and resid 49 and name HB2 )) 3.900 1.900 1.900 peak 234 spectrum 1 weight 0.11000E+01 volume 0.95419E-03 ppm1 8.849 ppm2 3.033 CV 1 ASSI { 235} (( segid "alk1" and resid 50 and name HN )) (( segid "alk1" and resid 20 and name HB1 )) 3.500 1.500 1.500 peak 235 spectrum 1 weight 0.11000E+01 volume 0.43852E-03 ppm1 8.848 ppm2 2.047 CV 1 ASSI { 236} (( segid "alk1" and resid 50 and name HN )) (( segid "alk1" and resid 50 and name HG2 )) 3.100 1.200 1.200 peak 236 spectrum 1 weight 0.11000E+01 volume 0.93458E-03 ppm1 8.847 ppm2 1.494 CV 1 OR { 236} (( segid "alk1" and resid 50 and name HN )) (( segid "alk1" and resid 50 and name HG1 )) ASSI { 239} (( segid "alk1" and resid 94 and name HN )) (( segid "alk1" and resid 81 and name HA )) 4.100 4.100 1.900 peak 239 spectrum 1 weight 0.11000E+01 volume 0.30070E-03 ppm1 8.331 ppm2 4.541 CV 1 ASSI { 241} (( segid "alk1" and resid 94 and name HN )) (( segid "alk1" and resid 93 and name HB1 )) 4.300 4.300 1.700 peak 241 spectrum 1 weight 0.11000E+01 volume 0.25572E-03 ppm1 8.364 ppm2 3.854 CV 1 OR { 241} (( segid "alk1" and resid 94 and name HN )) (( segid "alk1" and resid 93 and name HB2 )) ASSI { 244} (( segid "alk1" and resid 11 and name HN )) (( segid "alk1" and resid 8 and name HA )) 4.800 2.900 1.200 peak 244 spectrum 1 weight 0.11000E+01 volume 0.26291E-04 ppm1 8.333 ppm2 4.600 CV 1 ASSI { 248} (( segid "alk1" and resid 50 and name HN )) (( segid "alk1" and resid 49 and name HA )) 2.300 0.600 0.600 peak 248 spectrum 1 weight 0.11000E+01 volume 0.50356E-02 ppm1 8.846 ppm2 5.394 CV 1 ASSI { 249} (( segid "alk1" and resid 50 and name HN )) (( segid "alk1" and resid 49 and name HB1 )) 3.000 1.100 1.100 peak 249 spectrum 1 weight 0.11000E+01 volume 0.19170E-02 ppm1 8.847 ppm2 3.155 CV 1 ASSI { 252} (( segid "alk1" and resid 48 and name HN )) (( segid "alk1" and resid 47 and name HA )) 2.300 0.600 0.600 peak 252 spectrum 1 weight 0.11000E+01 volume 0.65402E-02 ppm1 8.748 ppm2 4.601 CV 1 ASSI { 253} (( segid "alk1" and resid 48 and name HN )) (( segid "alk1" and resid 47 and name HG1 )) 4.600 2.700 1.400 peak 253 spectrum 1 weight 0.11000E+01 volume 0.58697E-03 ppm1 8.749 ppm2 2.334 CV 1 OR { 253} (( segid "alk1" and resid 48 and name HN )) (( segid "alk1" and resid 47 and name HG2 )) ASSI { 256} (( segid "alk1" and resid 48 and name HN )) ( segid "alk1" and resid 38 and name HD1%) 3.600 1.600 1.600 peak 256 spectrum 1 weight 0.11000E+01 volume 0.62203E-03 ppm1 8.749 ppm2 0.776 CV 1 ASSI { 258} (( segid "alk1" and resid 99 and name HN )) (( segid "alk1" and resid 99 and name HA )) 3.200 1.200 1.200 peak 258 spectrum 1 weight 0.11000E+01 volume 0.13380E-02 ppm1 8.419 ppm2 4.604 CV 1 ASSI { 261} (( segid "alk1" and resid 99 and name HN )) (( segid "alk1" and resid 98 and name HA )) 2.900 1.000 1.000 peak 261 spectrum 1 weight 0.11000E+01 volume 0.24836E-02 ppm1 8.411 ppm2 4.363 CV 1 ASSI { 262} (( segid "alk1" and resid 99 and name HN )) (( segid "alk1" and resid 98 and name HB )) 4.300 2.300 1.700 peak 262 spectrum 1 weight 0.11000E+01 volume 0.23171E-03 ppm1 8.410 ppm2 4.262 CV 1 ASSI { 263} (( segid "alk1" and resid 99 and name HN )) (( segid "alk1" and resid 99 and name HB1 )) 3.400 1.500 1.500 peak 263 spectrum 1 weight 0.11000E+01 volume 0.10454E-02 ppm1 8.412 ppm2 2.681 CV 1 OR { 263} (( segid "alk1" and resid 99 and name HN )) (( segid "alk1" and resid 99 and name HB2 )) ASSI { 264} (( segid "alk1" and resid 99 and name HN )) (( segid "alk1" and resid 88 and name HA )) 2.600 2.600 3.400 peak 264 spectrum 1 weight 0.11000E+01 volume 0.94688E-03 ppm1 8.380 ppm2 4.315 CV 1 ASSI { 266} (( segid "alk1" and resid 94 and name HN )) (( segid "alk1" and resid 93 and name HA )) 2.300 2.300 3.700 peak 266 spectrum 1 weight 0.11000E+01 volume 0.94946E-02 ppm1 8.339 ppm2 4.384 CV 1 ASSI { 267} (( segid "alk1" and resid 94 and name HN )) (( segid "alk1" and resid 92 and name HB2 )) 3.500 3.500 2.500 peak 267 spectrum 1 weight 0.11000E+01 volume 0.68241E-03 ppm1 8.339 ppm2 2.241 CV 1 ASSI { 269} (( segid "alk1" and resid 94 and name HN )) (( segid "alk1" and resid 94 and name HB2 )) 2.700 2.700 3.300 peak 269 spectrum 1 weight 0.11000E+01 volume 0.30503E-02 ppm1 8.336 ppm2 2.042 CV 1 ASSI { 270} (( segid "alk1" and resid 94 and name HN )) (( segid "alk1" and resid 94 and name HB1 )) 2.600 0.800 0.800 peak 270 spectrum 1 weight 0.11000E+01 volume 0.57487E-02 ppm1 8.335 ppm2 1.891 CV 1 ASSI { 272} (( segid "alk1" and resid 94 and name HN )) (( segid "alk1" and resid 83 and name HA )) 4.900 4.900 1.100 peak 272 spectrum 1 weight 0.11000E+01 volume 0.85925E-04 ppm1 8.328 ppm2 4.819 CV 1 ASSI { 273} (( segid "alk1" and resid 94 and name HN )) (( segid "alk1" and resid 95 and name HA )) 4.000 4.000 2.000 peak 273 spectrum 1 weight 0.11000E+01 volume 0.43990E-03 ppm1 8.330 ppm2 4.491 CV 1 ASSI { 276} (( segid "alk1" and resid 94 and name HN )) (( segid "alk1" and resid 94 and name HA )) 6.000 5.400 0.000 peak 276 spectrum 1 weight 0.11000E+01 volume 0.15256E-04 ppm1 8.330 ppm2 4.647 CV 1 ASSI { 294} (( segid "alk1" and resid 95 and name HN )) (( segid "alk1" and resid 94 and name HA )) 3.300 1.300 1.300 peak 294 spectrum 1 weight 0.11000E+01 volume 0.10955E-02 ppm1 8.301 ppm2 4.665 CV 1 ASSI { 297} (( segid "alk1" and resid 95 and name HN )) (( segid "alk1" and resid 95 and name HA )) 4.000 4.000 2.000 peak 297 spectrum 1 weight 0.11000E+01 volume 0.26551E-03 ppm1 8.321 ppm2 4.432 CV 1 ASSI { 304} (( segid "alk1" and resid 18 and name HN )) (( segid "alk1" and resid 17 and name HA )) 2.500 0.800 0.800 peak 304 spectrum 1 weight 0.11000E+01 volume 0.34104E-02 ppm1 8.932 ppm2 4.884 CV 1 ASSI { 306} (( segid "alk1" and resid 18 and name HN )) (( segid "alk1" and resid 77 and name HA )) 3.300 1.400 1.400 peak 306 spectrum 1 weight 0.11000E+01 volume 0.76823E-03 ppm1 8.932 ppm2 3.777 CV 1 ASSI { 307} (( segid "alk1" and resid 18 and name HN )) (( segid "alk1" and resid 18 and name HB )) 2.400 0.700 0.700 peak 307 spectrum 1 weight 0.11000E+01 volume 0.39461E-02 ppm1 8.932 ppm2 3.489 CV 1 ASSI { 308} (( segid "alk1" and resid 18 and name HN )) (( segid "alk1" and resid 17 and name HB1 )) 2.900 1.100 1.100 peak 308 spectrum 1 weight 0.11000E+01 volume 0.12515E-02 ppm1 8.932 ppm2 2.968 CV 1 ASSI { 309} (( segid "alk1" and resid 18 and name HN )) (( segid "alk1" and resid 17 and name HB2 )) 3.800 1.800 1.800 peak 309 spectrum 1 weight 0.11000E+01 volume 0.94849E-03 ppm1 8.933 ppm2 2.855 CV 1 ASSI { 310} (( segid "alk1" and resid 18 and name HN )) ( segid "alk1" and resid 18 and name HG2%) 4.100 2.100 1.900 peak 310 spectrum 1 weight 0.11000E+01 volume 0.92710E-03 ppm1 8.932 ppm2 1.222 CV 1 ASSI { 311} (( segid "alk1" and resid 18 and name HN )) ( segid "alk1" and resid 77 and name HD2%) 3.600 1.600 1.600 peak 311 spectrum 1 weight 0.11000E+01 volume 0.10878E-02 ppm1 8.932 ppm2 0.542 CV 1 ASSI { 312} (( segid "alk1" and resid 70 and name HN )) (( segid "alk1" and resid 69 and name HA )) 2.800 1.000 1.000 peak 312 spectrum 1 weight 0.11000E+01 volume 0.25576E-02 ppm1 8.124 ppm2 4.902 CV 1 ASSI { 314} (( segid "alk1" and resid 70 and name HN )) ( segid "alk1" and resid 68 and name HG2%) 3.700 1.700 1.700 peak 314 spectrum 1 weight 0.11000E+01 volume 0.54818E-03 ppm1 8.124 ppm2 0.959 CV 1 OR { 314} (( segid "alk1" and resid 70 and name HN )) ( segid "alk1" and resid 68 and name HG1%) ASSI { 317} (( segid "alk1" and resid 69 and name HN )) (( segid "alk1" and resid 69 and name HA )) 3.500 1.500 1.500 peak 317 spectrum 1 weight 0.11000E+01 volume 0.72046E-03 ppm1 8.458 ppm2 4.902 CV 1 ASSI { 320} (( segid "alk1" and resid 69 and name HN )) (( segid "alk1" and resid 68 and name HA )) 2.600 0.800 0.800 peak 320 spectrum 1 weight 0.11000E+01 volume 0.36863E-02 ppm1 8.455 ppm2 4.397 CV 1 ASSI { 322} (( segid "alk1" and resid 69 and name HN )) ( segid "alk1" and resid 68 and name HG2%) 3.200 1.300 1.300 peak 322 spectrum 1 weight 0.11000E+01 volume 0.15970E-02 ppm1 8.456 ppm2 0.963 CV 1 ASSI { 327} (( segid "alk1" and resid 63 and name HN )) (( segid "alk1" and resid 63 and name HA )) 3.900 1.900 1.900 peak 327 spectrum 1 weight 0.11000E+01 volume 0.34694E-03 ppm1 8.217 ppm2 4.768 CV 1 ASSI { 328} (( segid "alk1" and resid 63 and name HN )) (( segid "alk1" and resid 62 and name HA1 )) 2.800 1.000 1.000 peak 328 spectrum 1 weight 0.11000E+01 volume 0.30323E-02 ppm1 8.218 ppm2 4.142 CV 1 ASSI { 330} (( segid "alk1" and resid 63 and name HN )) (( segid "alk1" and resid 63 and name HB1 )) 3.500 1.600 1.600 peak 330 spectrum 1 weight 0.11000E+01 volume 0.17789E-02 ppm1 8.217 ppm2 1.870 CV 1 ASSI { 331} (( segid "alk1" and resid 63 and name HN )) (( segid "alk1" and resid 63 and name HB2 )) 2.400 0.700 0.700 peak 331 spectrum 1 weight 0.11000E+01 volume 0.44288E-02 ppm1 8.216 ppm2 1.701 CV 1 ASSI { 332} (( segid "alk1" and resid 87 and name HN )) (( segid "alk1" and resid 86 and name HA )) 2.400 0.700 0.700 peak 332 spectrum 1 weight 0.11000E+01 volume 0.60839E-02 ppm1 8.048 ppm2 4.297 CV 1 ASSI { 333} (( segid "alk1" and resid 87 and name HN )) (( segid "alk1" and resid 87 and name HG2 )) 3.700 1.800 1.800 peak 333 spectrum 1 weight 0.11000E+01 volume 0.11896E-02 ppm1 8.049 ppm2 2.199 CV 1 OR { 333} (( segid "alk1" and resid 87 and name HN )) (( segid "alk1" and resid 87 and name HG1 )) ASSI { 334} (( segid "alk1" and resid 87 and name HN )) (( segid "alk1" and resid 87 and name HB2 )) 3.100 3.100 2.900 peak 334 spectrum 1 weight 0.11000E+01 volume 0.17215E-02 ppm1 8.048 ppm2 1.972 CV 1 ASSI { 335} (( segid "alk1" and resid 87 and name HN )) (( segid "alk1" and resid 87 and name HB1 )) 2.800 1.000 1.000 peak 335 spectrum 1 weight 0.11000E+01 volume 0.27991E-02 ppm1 8.047 ppm2 1.832 CV 1 ASSI { 336} (( segid "alk1" and resid 87 and name HN )) (( segid "alk1" and resid 86 and name HB2 )) 3.000 1.100 1.100 peak 336 spectrum 1 weight 0.11000E+01 volume 0.25466E-02 ppm1 8.047 ppm2 1.511 CV 1 OR { 336} (( segid "alk1" and resid 87 and name HN )) (( segid "alk1" and resid 86 and name HB1 )) ASSI { 337} (( segid "alk1" and resid 87 and name HN )) ( segid "alk1" and resid 85 and name HG2%) 3.200 1.300 1.300 peak 337 spectrum 1 weight 0.11000E+01 volume 0.13777E-02 ppm1 8.046 ppm2 0.779 CV 1 ASSI { 342} (( segid "alk1" and resid 16 and name HN )) (( segid "alk1" and resid 15 and name HA )) 2.200 0.600 0.600 peak 342 spectrum 1 weight 0.11000E+01 volume 0.85258E-02 ppm1 8.891 ppm2 4.462 CV 1 ASSI { 343} (( segid "alk1" and resid 16 and name HN )) (( segid "alk1" and resid 16 and name HB )) 2.500 0.800 0.800 peak 343 spectrum 1 weight 0.11000E+01 volume 0.36923E-02 ppm1 8.890 ppm2 4.140 CV 1 ASSI { 344} (( segid "alk1" and resid 16 and name HN )) (( segid "alk1" and resid 15 and name HB )) 3.200 1.300 1.300 peak 344 spectrum 1 weight 0.11000E+01 volume 0.23839E-02 ppm1 8.891 ppm2 1.842 CV 1 ASSI { 345} (( segid "alk1" and resid 16 and name HN )) ( segid "alk1" and resid 16 and name HG2%) 4.000 2.000 2.000 peak 345 spectrum 1 weight 0.11000E+01 volume 0.95677E-03 ppm1 8.891 ppm2 1.162 CV 1 ASSI { 346} (( segid "alk1" and resid 16 and name HN )) ( segid "alk1" and resid 15 and name HG1%) 2.900 1.000 1.000 peak 346 spectrum 1 weight 0.11000E+01 volume 0.32177E-02 ppm1 8.891 ppm2 0.789 CV 1 ASSI { 347} (( segid "alk1" and resid 15 and name HN )) (( segid "alk1" and resid 76 and name HA )) 2.700 2.700 3.300 peak 347 spectrum 1 weight 0.11000E+01 volume 0.10273E-01 ppm1 9.115 ppm2 4.577 CV 1 ASSI { 350} (( segid "alk1" and resid 15 and name HN )) (( segid "alk1" and resid 14 and name HB2 )) 3.300 1.300 1.300 peak 350 spectrum 1 weight 0.11000E+01 volume 0.29172E-02 ppm1 9.110 ppm2 1.227 CV 1 ASSI { 351} (( segid "alk1" and resid 15 and name HN )) ( segid "alk1" and resid 15 and name HG2%) 2.500 0.800 0.800 peak 351 spectrum 1 weight 0.11000E+01 volume 0.59605E-02 ppm1 9.111 ppm2 0.788 CV 1 ASSI { 352} (( segid "alk1" and resid 15 and name HN )) ( segid "alk1" and resid 14 and name HD2%) 3.300 1.400 1.400 peak 352 spectrum 1 weight 0.11000E+01 volume 0.20445E-02 ppm1 9.111 ppm2 0.649 CV 1 ASSI { 353} (( segid "alk1" and resid 74 and name HN )) (( segid "alk1" and resid 74 and name HA )) 2.800 1.000 1.000 peak 353 spectrum 1 weight 0.11000E+01 volume 0.24614E-02 ppm1 8.534 ppm2 5.165 CV 1 ASSI { 354} (( segid "alk1" and resid 47 and name HN )) (( segid "alk1" and resid 38 and name HA )) 3.300 1.400 1.400 peak 354 spectrum 1 weight 0.11000E+01 volume 0.17000E-02 ppm1 8.531 ppm2 4.878 CV 1 ASSI { 355} (( segid "alk1" and resid 74 and name HN )) (( segid "alk1" and resid 73 and name HA )) 2.300 0.700 0.700 peak 355 spectrum 1 weight 0.11000E+01 volume 0.75744E-02 ppm1 8.532 ppm2 4.781 CV 1 ASSI { 356} (( segid "alk1" and resid 74 and name HN )) (( segid "alk1" and resid 78 and name HB1 )) 6.000 6.000 0.000 peak 356 spectrum 1 weight 0.11000E+01 volume 0.25458E-04 ppm1 8.533 ppm2 3.857 CV 1 ASSI { 357} (( segid "alk1" and resid 74 and name HN )) (( segid "alk1" and resid 73 and name HB2 )) 3.200 1.300 1.300 peak 357 spectrum 1 weight 0.11000E+01 volume 0.34875E-02 ppm1 8.534 ppm2 3.564 CV 1 ASSI { 358} (( segid "alk1" and resid 74 and name HN )) (( segid "alk1" and resid 78 and name HB2 )) 6.000 6.000 0.000 peak 358 spectrum 1 weight 0.11000E+01 volume 0.37905E-04 ppm1 8.534 ppm2 3.438 CV 1 ASSI { 359} (( segid "alk1" and resid 74 and name HN )) (( segid "alk1" and resid 73 and name HB1 )) 2.300 0.700 0.700 peak 359 spectrum 1 weight 0.11000E+01 volume 0.40574E-02 ppm1 8.536 ppm2 3.176 CV 1 ASSI { 360} (( segid "alk1" and resid 74 and name HN )) (( segid "alk1" and resid 74 and name HB1 )) 2.900 1.100 1.100 peak 360 spectrum 1 weight 0.11000E+01 volume 0.23238E-02 ppm1 8.534 ppm2 2.916 CV 1 ASSI { 361} (( segid "alk1" and resid 74 and name HN )) (( segid "alk1" and resid 74 and name HB2 )) 2.700 0.900 0.900 peak 361 spectrum 1 weight 0.11000E+01 volume 0.33152E-02 ppm1 8.534 ppm2 2.672 CV 1 ASSI { 362} (( segid "alk1" and resid 47 and name HN )) (( segid "alk1" and resid 46 and name HA )) 2.100 0.500 0.500 peak 362 spectrum 1 weight 0.11000E+01 volume 0.99713E-02 ppm1 8.527 ppm2 4.647 CV 1 ASSI { 363} (( segid "alk1" and resid 47 and name HN )) (( segid "alk1" and resid 40 and name HA )) 2.900 2.900 3.100 peak 363 spectrum 1 weight 0.11000E+01 volume 0.39022E-02 ppm1 8.529 ppm2 4.536 CV 1 ASSI { 364} (( segid "alk1" and resid 47 and name HN )) (( segid "alk1" and resid 47 and name HG2 )) 3.000 1.200 1.200 peak 364 spectrum 1 weight 0.11000E+01 volume 0.17696E-02 ppm1 8.528 ppm2 2.336 CV 1 OR { 364} (( segid "alk1" and resid 47 and name HN )) (( segid "alk1" and resid 47 and name HG1 )) ASSI { 365} (( segid "alk1" and resid 47 and name HN )) (( segid "alk1" and resid 46 and name HB1 )) 3.100 1.200 1.200 peak 365 spectrum 1 weight 0.11000E+01 volume 0.41677E-02 ppm1 8.528 ppm2 2.046 CV 1 ASSI { 366} (( segid "alk1" and resid 47 and name HN )) (( segid "alk1" and resid 47 and name HB2 )) 2.200 0.600 0.600 peak 366 spectrum 1 weight 0.11000E+01 volume 0.58898E-02 ppm1 8.528 ppm2 1.793 CV 1 ASSI { 367} (( segid "alk1" and resid 47 and name HN )) ( segid "alk1" and resid 38 and name HD1%) 2.700 0.900 0.900 peak 367 spectrum 1 weight 0.11000E+01 volume 0.26056E-02 ppm1 8.529 ppm2 0.781 CV 1 ASSI { 368} (( segid "alk1" and resid 47 and name HN )) ( segid "alk1" and resid 39 and name HG2%) 4.400 2.500 1.600 peak 368 spectrum 1 weight 0.11000E+01 volume 0.33395E-03 ppm1 8.528 ppm2 0.585 CV 1 ASSI { 369} (( segid "alk1" and resid 7 and name HN )) (( segid "alk1" and resid 6 and name HA )) 2.300 0.700 0.700 peak 369 spectrum 1 weight 0.11000E+01 volume 0.64704E-02 ppm1 8.140 ppm2 4.412 CV 1 ASSI { 370} (( segid "alk1" and resid 7 and name HN )) (( segid "alk1" and resid 7 and name HA )) 3.100 1.200 1.200 peak 370 spectrum 1 weight 0.11000E+01 volume 0.13684E-02 ppm1 8.140 ppm2 4.005 CV 1 ASSI { 371} (( segid "alk1" and resid 7 and name HN )) (( segid "alk1" and resid 6 and name HB1 )) 4.600 2.600 1.400 peak 371 spectrum 1 weight 0.11000E+01 volume 0.34955E-03 ppm1 8.141 ppm2 2.251 CV 1 ASSI { 372} (( segid "alk1" and resid 7 and name HN )) (( segid "alk1" and resid 7 and name HB )) 2.800 1.000 1.000 peak 372 spectrum 1 weight 0.11000E+01 volume 0.30724E-02 ppm1 8.140 ppm2 2.007 CV 1 ASSI { 373} (( segid "alk1" and resid 7 and name HN )) (( segid "alk1" and resid 6 and name HB2 )) 3.800 1.800 1.800 peak 373 spectrum 1 weight 0.11000E+01 volume 0.55361E-03 ppm1 8.140 ppm2 1.881 CV 1 ASSI { 374} (( segid "alk1" and resid 7 and name HN )) ( segid "alk1" and resid 7 and name HG1%) 3.200 1.300 1.300 peak 374 spectrum 1 weight 0.11000E+01 volume 0.24137E-02 ppm1 8.141 ppm2 0.915 CV 1 ASSI { 375} (( segid "alk1" and resid 7 and name HN )) ( segid "alk1" and resid 55 and name HD2%) 5.200 3.400 0.800 peak 375 spectrum 1 weight 0.11000E+01 volume 0.74000E-04 ppm1 8.142 ppm2 0.813 CV 1 ASSI { 382} (( segid "alk1" and resid 14 and name HN )) (( segid "alk1" and resid 13 and name HD2 )) 3.800 1.800 1.800 peak 382 spectrum 1 weight 0.11000E+01 volume 0.10450E-03 ppm1 8.020 ppm2 3.647 CV 1 ASSI { 383} (( segid "alk1" and resid 14 and name HN )) ( segid "alk1" and resid 14 and name HD1%) 3.600 1.600 1.600 peak 383 spectrum 1 weight 0.11000E+01 volume 0.15765E-02 ppm1 8.020 ppm2 0.770 CV 1 ASSI { 384} (( segid "alk1" and resid 14 and name HN )) (( segid "alk1" and resid 14 and name HA )) 2.300 0.700 0.700 peak 384 spectrum 1 weight 0.11000E+01 volume 0.63558E-02 ppm1 8.019 ppm2 4.517 CV 1 ASSI { 385} (( segid "alk1" and resid 14 and name HN )) (( segid "alk1" and resid 13 and name HA )) 2.200 0.600 0.600 peak 385 spectrum 1 weight 0.11000E+01 volume 0.98503E-02 ppm1 8.019 ppm2 4.431 CV 1 ASSI { 386} (( segid "alk1" and resid 14 and name HN )) (( segid "alk1" and resid 13 and name HB1 )) 3.800 1.800 1.800 peak 386 spectrum 1 weight 0.11000E+01 volume 0.97246E-03 ppm1 8.019 ppm2 2.257 CV 1 ASSI { 387} (( segid "alk1" and resid 14 and name HN )) (( segid "alk1" and resid 13 and name HB2 )) 3.200 1.300 1.300 peak 387 spectrum 1 weight 0.11000E+01 volume 0.13952E-02 ppm1 8.019 ppm2 1.975 CV 1 ASSI { 388} (( segid "alk1" and resid 14 and name HN )) (( segid "alk1" and resid 14 and name HB1 )) 2.800 1.000 1.000 peak 388 spectrum 1 weight 0.11000E+01 volume 0.81677E-02 ppm1 8.020 ppm2 1.576 CV 1 ASSI { 389} (( segid "alk1" and resid 14 and name HN )) (( segid "alk1" and resid 14 and name HB2 )) 2.800 0.900 0.900 peak 389 spectrum 1 weight 0.11000E+01 volume 0.17999E-02 ppm1 8.019 ppm2 1.226 CV 1 ASSI { 390} (( segid "alk1" and resid 14 and name HN )) ( segid "alk1" and resid 14 and name HD2%) 3.700 1.700 1.700 peak 390 spectrum 1 weight 0.11000E+01 volume 0.12313E-02 ppm1 8.019 ppm2 0.649 CV 1 ASSI { 391} (( segid "alk1" and resid 68 and name HN )) (( segid "alk1" and resid 67 and name HA )) 2.700 0.900 0.900 peak 391 spectrum 1 weight 0.11000E+01 volume 0.38070E-02 ppm1 7.795 ppm2 4.606 CV 1 ASSI { 392} (( segid "alk1" and resid 68 and name HN )) (( segid "alk1" and resid 65 and name HB )) 5.100 5.100 0.900 peak 392 spectrum 1 weight 0.11000E+01 volume 0.75583E-04 ppm1 7.795 ppm2 4.510 CV 1 ASSI { 393} (( segid "alk1" and resid 68 and name HN )) (( segid "alk1" and resid 67 and name HB2 )) 3.600 1.600 1.600 peak 393 spectrum 1 weight 0.11000E+01 volume 0.92904E-03 ppm1 7.795 ppm2 2.982 CV 1 ASSI { 394} (( segid "alk1" and resid 68 and name HN )) (( segid "alk1" and resid 68 and name HB )) 2.700 0.900 0.900 peak 394 spectrum 1 weight 0.11000E+01 volume 0.31521E-02 ppm1 7.795 ppm2 2.093 CV 1 ASSI { 395} (( segid "alk1" and resid 68 and name HN )) ( segid "alk1" and resid 68 and name HG1%) 2.600 0.800 0.800 peak 395 spectrum 1 weight 0.11000E+01 volume 0.49394E-02 ppm1 7.795 ppm2 0.969 CV 1 ASSI { 396} (( segid "alk1" and resid 68 and name HN )) (( segid "alk1" and resid 68 and name HA )) 2.700 2.700 3.300 peak 396 spectrum 1 weight 0.11000E+01 volume 0.33119E-02 ppm1 7.774 ppm2 4.425 CV 1 ASSI { 398} (( segid "alk1" and resid 80 and name HN )) (( segid "alk1" and resid 77 and name HA )) 3.900 1.900 1.900 peak 398 spectrum 1 weight 0.11000E+01 volume 0.26222E-03 ppm1 7.771 ppm2 3.781 CV 1 ASSI { 399} (( segid "alk1" and resid 80 and name HN )) (( segid "alk1" and resid 18 and name HB )) 4.700 2.700 1.300 peak 399 spectrum 1 weight 0.11000E+01 volume 0.19244E-03 ppm1 7.768 ppm2 3.489 CV 1 ASSI { 400} (( segid "alk1" and resid 80 and name HN )) (( segid "alk1" and resid 80 and name HB2 )) 2.400 0.700 0.700 peak 400 spectrum 1 weight 0.11000E+01 volume 0.58908E-02 ppm1 7.769 ppm2 3.389 CV 1 ASSI { 401} (( segid "alk1" and resid 80 and name HN )) (( segid "alk1" and resid 80 and name HB1 )) 2.400 0.700 0.700 peak 401 spectrum 1 weight 0.11000E+01 volume 0.54463E-02 ppm1 7.769 ppm2 3.211 CV 1 ASSI { 402} (( segid "alk1" and resid 80 and name HN )) (( segid "alk1" and resid 77 and name HB1 )) 4.100 2.100 1.900 peak 402 spectrum 1 weight 0.11000E+01 volume 0.43909E-03 ppm1 7.770 ppm2 1.593 CV 1 ASSI { 403} (( segid "alk1" and resid 45 and name HN )) (( segid "alk1" and resid 45 and name HB2 )) 3.000 1.100 1.100 peak 403 spectrum 1 weight 0.11000E+01 volume 0.13716E-02 ppm1 8.514 ppm2 3.217 CV 1 ASSI { 404} (( segid "alk1" and resid 45 and name HN )) (( segid "alk1" and resid 45 and name HB1 )) 3.300 1.300 1.300 peak 404 spectrum 1 weight 0.11000E+01 volume 0.24401E-02 ppm1 8.514 ppm2 3.140 CV 1 ASSI { 410} (( segid "alk1" and resid 66 and name HN )) (( segid "alk1" and resid 65 and name HB )) 2.600 0.800 0.800 peak 410 spectrum 1 weight 0.11000E+01 volume 0.38720E-02 ppm1 8.341 ppm2 4.475 CV 1 ASSI { 411} (( segid "alk1" and resid 66 and name HN )) (( segid "alk1" and resid 66 and name HA )) 3.400 1.500 1.500 peak 411 spectrum 1 weight 0.11000E+01 volume 0.75848E-03 ppm1 8.340 ppm2 4.187 CV 1 ASSI { 412} (( segid "alk1" and resid 66 and name HN )) (( segid "alk1" and resid 66 and name HG1 )) 3.400 1.500 1.500 peak 412 spectrum 1 weight 0.11000E+01 volume 0.13590E-02 ppm1 8.339 ppm2 1.951 CV 1 OR { 412} (( segid "alk1" and resid 66 and name HN )) (( segid "alk1" and resid 66 and name HG2 )) ASSI { 413} (( segid "alk1" and resid 66 and name HN )) (( segid "alk1" and resid 66 and name HB2 )) 2.800 1.000 1.000 peak 413 spectrum 1 weight 0.11000E+01 volume 0.29950E-02 ppm1 8.341 ppm2 1.799 CV 1 OR { 413} (( segid "alk1" and resid 66 and name HN )) (( segid "alk1" and resid 66 and name HB1 )) ASSI { 414} (( segid "alk1" and resid 66 and name HN )) ( segid "alk1" and resid 65 and name HG2%) 4.700 2.700 1.300 peak 414 spectrum 1 weight 0.11000E+01 volume 0.17506E-03 ppm1 8.340 ppm2 1.222 CV 1 ASSI { 416} (( segid "alk1" and resid 30 and name HN )) (( segid "alk1" and resid 29 and name HA )) 2.400 0.700 0.700 peak 416 spectrum 1 weight 0.11000E+01 volume 0.50014E-02 ppm1 8.482 ppm2 4.867 CV 1 ASSI { 417} (( segid "alk1" and resid 30 and name HN )) (( segid "alk1" and resid 29 and name HB2 )) 2.700 0.900 0.900 peak 417 spectrum 1 weight 0.11000E+01 volume 0.32578E-02 ppm1 8.482 ppm2 3.479 CV 1 ASSI { 418} (( segid "alk1" and resid 30 and name HN )) (( segid "alk1" and resid 29 and name HB1 )) 3.700 1.700 1.700 peak 418 spectrum 1 weight 0.11000E+01 volume 0.24604E-02 ppm1 8.482 ppm2 2.800 CV 1 ASSI { 419} (( segid "alk1" and resid 30 and name HN )) (( segid "alk1" and resid 30 and name HG1 )) 2.400 0.700 0.700 peak 419 spectrum 1 weight 0.11000E+01 volume 0.55998E-02 ppm1 8.482 ppm2 1.607 CV 1 OR { 419} (( segid "alk1" and resid 30 and name HN )) (( segid "alk1" and resid 30 and name HB2 )) OR { 419} (( segid "alk1" and resid 30 and name HN )) (( segid "alk1" and resid 30 and name HG2 )) OR { 419} (( segid "alk1" and resid 30 and name HN )) (( segid "alk1" and resid 30 and name HB1 )) ASSI { 421} (( segid "alk1" and resid 76 and name HN )) (( segid "alk1" and resid 76 and name HA )) 3.100 1.200 1.200 peak 421 spectrum 1 weight 0.11000E+01 volume 0.10879E-02 ppm1 8.304 ppm2 4.544 CV 1 ASSI { 423} (( segid "alk1" and resid 76 and name HN )) (( segid "alk1" and resid 75 and name HB1 )) 3.300 1.300 1.300 peak 423 spectrum 1 weight 0.11000E+01 volume 0.11272E-02 ppm1 8.303 ppm2 3.858 CV 1 ASSI { 424} (( segid "alk1" and resid 76 and name HN )) (( segid "alk1" and resid 76 and name HB2 )) 2.300 0.700 0.700 peak 424 spectrum 1 weight 0.11000E+01 volume 0.78633E-02 ppm1 8.304 ppm2 3.073 CV 1 OR { 424} (( segid "alk1" and resid 76 and name HN )) (( segid "alk1" and resid 76 and name HB1 )) ASSI { 425} (( segid "alk1" and resid 76 and name HN )) ( segid "alk1" and resid 15 and name HG1%) 3.200 1.300 1.300 peak 425 spectrum 1 weight 0.11000E+01 volume 0.12460E-02 ppm1 8.303 ppm2 0.789 CV 1 ASSI { 426} (( segid "alk1" and resid 61 and name HN )) (( segid "alk1" and resid 61 and name HA )) 4.300 2.300 1.700 peak 426 spectrum 1 weight 0.11000E+01 volume 0.18553E-03 ppm1 7.629 ppm2 4.492 CV 1 ASSI { 427} (( segid "alk1" and resid 61 and name HN )) (( segid "alk1" and resid 60 and name HA )) 3.100 1.200 1.200 peak 427 spectrum 1 weight 0.11000E+01 volume 0.16123E-02 ppm1 7.629 ppm2 4.267 CV 1 ASSI { 428} (( segid "alk1" and resid 61 and name HN )) (( segid "alk1" and resid 61 and name HB2 )) 6.000 4.800 0.000 peak 428 spectrum 1 weight 0.11000E+01 volume 0.25280E-04 ppm1 7.627 ppm2 1.907 CV 1 ASSI { 429} (( segid "alk1" and resid 61 and name HN )) (( segid "alk1" and resid 61 and name HB1 )) 3.700 3.700 2.300 peak 429 spectrum 1 weight 0.11000E+01 volume 0.63373E-03 ppm1 7.630 ppm2 1.751 CV 1 ASSI { 430} (( segid "alk1" and resid 61 and name HN )) (( segid "alk1" and resid 61 and name HG1 )) 3.500 1.600 1.600 peak 430 spectrum 1 weight 0.11000E+01 volume 0.70839E-03 ppm1 7.629 ppm2 1.590 CV 1 OR { 430} (( segid "alk1" and resid 61 and name HN )) (( segid "alk1" and resid 61 and name HG2 )) ASSI { 436} (( segid "alk1" and resid 52 and name HN )) (( segid "alk1" and resid 51 and name HA2 )) 2.900 1.000 1.000 peak 436 spectrum 1 weight 0.11000E+01 volume 0.51429E-02 ppm1 8.322 ppm2 3.865 CV 1 ASSI { 439} (( segid "alk1" and resid 52 and name HN )) (( segid "alk1" and resid 51 and name HA1 )) 2.500 0.800 0.800 peak 439 spectrum 1 weight 0.11000E+01 volume 0.29567E-02 ppm1 8.321 ppm2 4.473 CV 1 ASSI { 441} (( segid "alk1" and resid 58 and name HN )) (( segid "alk1" and resid 58 and name HB1 )) 2.900 1.100 1.100 peak 441 spectrum 1 weight 0.11000E+01 volume 0.17529E-02 ppm1 9.761 ppm2 2.092 CV 1 OR { 441} (( segid "alk1" and resid 58 and name HN )) (( segid "alk1" and resid 58 and name HG1 )) ASSI { 442} (( segid "alk1" and resid 58 and name HN )) (( segid "alk1" and resid 58 and name HB2 )) 3.900 1.900 1.900 peak 442 spectrum 1 weight 0.11000E+01 volume 0.82820E-03 ppm1 9.759 ppm2 1.972 CV 1 ASSI { 443} (( segid "alk1" and resid 58 and name HN )) (( segid "alk1" and resid 57 and name HB1 )) 4.500 2.500 1.500 peak 443 spectrum 1 weight 0.11000E+01 volume 0.10222E-03 ppm1 9.759 ppm2 1.506 CV 1 ASSI { 446} (( segid "alk1" and resid 79 and name HN )) (( segid "alk1" and resid 77 and name HA )) 3.400 1.500 1.500 peak 446 spectrum 1 weight 0.11000E+01 volume 0.79525E-03 ppm1 8.434 ppm2 3.782 CV 1 ASSI { 447} (( segid "alk1" and resid 79 and name HN )) (( segid "alk1" and resid 34 and name HB1 )) 2.500 0.800 0.800 peak 447 spectrum 1 weight 0.11000E+01 volume 0.23740E-02 ppm1 8.433 ppm2 3.200 CV 1 ASSI { 448} (( segid "alk1" and resid 79 and name HN )) (( segid "alk1" and resid 79 and name HB2 )) 3.100 1.200 1.200 peak 448 spectrum 1 weight 0.11000E+01 volume 0.10541E-02 ppm1 8.434 ppm2 2.422 CV 1 ASSI { 449} (( segid "alk1" and resid 44 and name HN )) (( segid "alk1" and resid 44 and name HA )) 3.100 1.200 1.200 peak 449 spectrum 1 weight 0.11000E+01 volume 0.15922E-02 ppm1 7.908 ppm2 4.580 CV 1 ASSI { 450} (( segid "alk1" and resid 44 and name HN )) (( segid "alk1" and resid 43 and name HA2 )) 2.900 1.100 1.100 peak 450 spectrum 1 weight 0.11000E+01 volume 0.25461E-02 ppm1 7.907 ppm2 4.085 CV 1 ASSI { 452} (( segid "alk1" and resid 44 and name HN )) (( segid "alk1" and resid 44 and name HD1 )) 4.200 2.200 1.800 peak 452 spectrum 1 weight 0.11000E+01 volume 0.30441E-03 ppm1 7.905 ppm2 3.122 CV 1 OR { 452} (( segid "alk1" and resid 44 and name HN )) (( segid "alk1" and resid 44 and name HD2 )) ASSI { 454} (( segid "alk1" and resid 44 and name HN )) (( segid "alk1" and resid 41 and name HB2 )) 5.300 3.500 0.700 peak 454 spectrum 1 weight 0.11000E+01 volume 0.99177E-04 ppm1 7.906 ppm2 1.777 CV 1 ASSI { 455} (( segid "alk1" and resid 44 and name HN )) (( segid "alk1" and resid 44 and name HB2 )) 2.700 0.900 0.900 peak 455 spectrum 1 weight 0.11000E+01 volume 0.37121E-02 ppm1 7.907 ppm2 1.686 CV 1 ASSI { 456} (( segid "alk1" and resid 44 and name HN )) (( segid "alk1" and resid 44 and name HG2 )) 2.900 1.100 1.100 peak 456 spectrum 1 weight 0.11000E+01 volume 0.30491E-02 ppm1 7.906 ppm2 1.523 CV 1 OR { 456} (( segid "alk1" and resid 44 and name HN )) (( segid "alk1" and resid 44 and name HG1 )) ASSI { 457} (( segid "alk1" and resid 67 and name HN )) (( segid "alk1" and resid 65 and name HB )) 4.700 2.800 1.300 peak 457 spectrum 1 weight 0.11000E+01 volume 0.13754E-03 ppm1 8.136 ppm2 4.484 CV 1 ASSI { 458} (( segid "alk1" and resid 67 and name HN )) (( segid "alk1" and resid 67 and name HB1 )) 3.100 1.200 1.200 peak 458 spectrum 1 weight 0.11000E+01 volume 0.19209E-02 ppm1 8.133 ppm2 3.279 CV 1 ASSI { 459} (( segid "alk1" and resid 67 and name HN )) (( segid "alk1" and resid 66 and name HG1 )) 3.700 1.700 1.700 peak 459 spectrum 1 weight 0.11000E+01 volume 0.87494E-03 ppm1 8.133 ppm2 1.954 CV 1 OR { 459} (( segid "alk1" and resid 67 and name HN )) (( segid "alk1" and resid 66 and name HG2 )) ASSI { 460} (( segid "alk1" and resid 67 and name HN )) ( segid "alk1" and resid 68 and name HG1%) 4.100 2.100 1.900 peak 460 spectrum 1 weight 0.11000E+01 volume 0.65301E-03 ppm1 8.133 ppm2 0.967 CV 1 ASSI { 461} (( segid "alk1" and resid 67 and name HN )) (( segid "alk1" and resid 67 and name HA )) 2.700 0.900 0.900 peak 461 spectrum 1 weight 0.11000E+01 volume 0.29608E-02 ppm1 8.132 ppm2 4.607 CV 1 ASSI { 462} (( segid "alk1" and resid 67 and name HN )) (( segid "alk1" and resid 66 and name HA )) 2.600 0.900 0.900 peak 462 spectrum 1 weight 0.11000E+01 volume 0.43976E-02 ppm1 8.132 ppm2 4.175 CV 1 ASSI { 463} (( segid "alk1" and resid 67 and name HN )) (( segid "alk1" and resid 67 and name HB2 )) 2.900 1.100 1.100 peak 463 spectrum 1 weight 0.11000E+01 volume 0.31990E-02 ppm1 8.132 ppm2 2.983 CV 1 ASSI { 464} (( segid "alk1" and resid 67 and name HN )) (( segid "alk1" and resid 66 and name HB2 )) 2.800 1.000 1.000 peak 464 spectrum 1 weight 0.11000E+01 volume 0.26950E-02 ppm1 8.133 ppm2 1.800 CV 1 OR { 464} (( segid "alk1" and resid 67 and name HN )) (( segid "alk1" and resid 66 and name HB1 )) ASSI { 465} (( segid "alk1" and resid 85 and name HN )) (( segid "alk1" and resid 84 and name HA )) 2.800 1.000 1.000 peak 465 spectrum 1 weight 0.11000E+01 volume 0.24202E-02 ppm1 7.824 ppm2 4.366 CV 1 ASSI { 466} (( segid "alk1" and resid 85 and name HN )) (( segid "alk1" and resid 85 and name HA )) 3.100 1.200 1.200 peak 466 spectrum 1 weight 0.11000E+01 volume 0.12983E-02 ppm1 7.825 ppm2 3.946 CV 1 ASSI { 468} (( segid "alk1" and resid 85 and name HN )) (( segid "alk1" and resid 84 and name HB1 )) 3.200 1.300 1.300 peak 468 spectrum 1 weight 0.11000E+01 volume 0.18959E-02 ppm1 7.825 ppm2 1.539 CV 1 OR { 468} (( segid "alk1" and resid 85 and name HN )) (( segid "alk1" and resid 84 and name HB2 )) ASSI { 469} (( segid "alk1" and resid 85 and name HN )) (( segid "alk1" and resid 38 and name HB2 )) 4.000 4.000 2.000 peak 469 spectrum 1 weight 0.11000E+01 volume 0.37094E-03 ppm1 7.826 ppm2 1.419 CV 1 ASSI { 470} (( segid "alk1" and resid 85 and name HN )) ( segid "alk1" and resid 85 and name HG1%) 2.700 0.900 0.900 peak 470 spectrum 1 weight 0.11000E+01 volume 0.37681E-02 ppm1 7.824 ppm2 0.781 CV 1 OR { 470} (( segid "alk1" and resid 85 and name HN )) ( segid "alk1" and resid 85 and name HG2%) ASSI { 473} (( segid "alk1" and resid 78 and name HN )) ( segid "alk1" and resid 77 and name HD2%) 4.500 2.600 1.500 peak 473 spectrum 1 weight 0.11000E+01 volume 0.58740E-03 ppm1 8.487 ppm2 0.545 CV 1 ASSI { 474} (( segid "alk1" and resid 78 and name HN )) (( segid "alk1" and resid 76 and name HA )) 3.500 1.600 1.600 peak 474 spectrum 1 weight 0.11000E+01 volume 0.84413E-03 ppm1 8.484 ppm2 4.548 CV 1 ASSI { 476} (( segid "alk1" and resid 78 and name HN )) (( segid "alk1" and resid 78 and name HB1 )) 2.400 0.700 0.700 peak 476 spectrum 1 weight 0.11000E+01 volume 0.43564E-02 ppm1 8.486 ppm2 3.821 CV 1 ASSI { 479} (( segid "alk1" and resid 34 and name HN )) ( segid "alk1" and resid 15 and name HG1%) 3.800 1.800 1.800 peak 479 spectrum 1 weight 0.11000E+01 volume 0.70799E-03 ppm1 9.306 ppm2 0.791 CV 1 OR { 479} (( segid "alk1" and resid 34 and name HN )) ( segid "alk1" and resid 15 and name HG2%) ASSI { 482} (( segid "alk1" and resid 34 and name HN )) (( segid "alk1" and resid 33 and name HA )) 2.800 1.000 1.000 peak 482 spectrum 1 weight 0.11000E+01 volume 0.20088E-02 ppm1 9.306 ppm2 4.639 CV 1 ASSI { 484} (( segid "alk1" and resid 34 and name HN )) (( segid "alk1" and resid 33 and name HB2 )) 2.200 0.600 0.600 peak 484 spectrum 1 weight 0.11000E+01 volume 0.34372E-02 ppm1 9.305 ppm2 3.312 CV 1 ASSI { 485} (( segid "alk1" and resid 34 and name HN )) (( segid "alk1" and resid 34 and name HB2 )) 2.600 0.800 0.800 peak 485 spectrum 1 weight 0.11000E+01 volume 0.25037E-02 ppm1 9.305 ppm2 3.178 CV 1 OR { 485} (( segid "alk1" and resid 34 and name HN )) (( segid "alk1" and resid 34 and name HB1 )) ASSI { 488} (( segid "alk1" and resid 93 and name HN )) (( segid "alk1" and resid 92 and name HA )) 2.300 0.700 0.700 peak 488 spectrum 1 weight 0.11000E+01 volume 0.74228E-02 ppm1 8.359 ppm2 4.426 CV 1 ASSI { 490} (( segid "alk1" and resid 93 and name HN )) (( segid "alk1" and resid 92 and name HB1 )) 6.000 5.700 0.000 peak 490 spectrum 1 weight 0.11000E+01 volume 0.26129E-04 ppm1 8.359 ppm2 1.908 CV 1 ASSI { 491} (( segid "alk1" and resid 93 and name HN )) (( segid "alk1" and resid 94 and name HA )) 3.500 3.500 2.500 peak 491 spectrum 1 weight 0.11000E+01 volume 0.16393E-02 ppm1 8.360 ppm2 4.683 CV 1 ASSI { 492} (( segid "alk1" and resid 93 and name HN )) (( segid "alk1" and resid 81 and name HA )) 4.800 2.800 1.200 peak 492 spectrum 1 weight 0.10000E+01 volume 0.15813E-03 ppm1 8.337 ppm2 4.557 CV 1 ASSI { 496} (( segid "alk1" and resid 73 and name HN )) (( segid "alk1" and resid 72 and name HA )) 2.300 0.600 0.600 peak 496 spectrum 1 weight 0.11000E+01 volume 0.58787E-02 ppm1 8.844 ppm2 5.800 CV 1 ASSI { 497} (( segid "alk1" and resid 73 and name HN )) (( segid "alk1" and resid 73 and name HA )) 3.200 1.300 1.300 peak 497 spectrum 1 weight 0.11000E+01 volume 0.10844E-02 ppm1 8.844 ppm2 4.784 CV 1 ASSI { 500} (( segid "alk1" and resid 73 and name HN )) (( segid "alk1" and resid 72 and name HB2 )) 3.500 1.500 1.500 peak 500 spectrum 1 weight 0.11000E+01 volume 0.10466E-02 ppm1 8.845 ppm2 2.708 CV 1 ASSI { 501} (( segid "alk1" and resid 73 and name HN )) (( segid "alk1" and resid 33 and name HB2 )) 3.600 1.600 1.600 peak 501 spectrum 1 weight 0.11000E+01 volume 0.45401E-03 ppm1 8.843 ppm2 3.304 CV 1 ASSI { 502} (( segid "alk1" and resid 73 and name HN )) (( segid "alk1" and resid 72 and name HB1 )) 3.200 1.200 1.200 peak 502 spectrum 1 weight 0.11000E+01 volume 0.18022E-02 ppm1 8.843 ppm2 2.901 CV 1 ASSI { 504} (( segid "alk1" and resid 10 and name HN )) (( segid "alk1" and resid 7 and name HB )) 5.300 3.600 0.700 peak 504 spectrum 1 weight 0.11000E+01 volume 0.54278E-04 ppm1 8.284 ppm2 2.014 CV 1 ASSI { 505} (( segid "alk1" and resid 10 and name HN )) (( segid "alk1" and resid 55 and name HA )) 4.600 2.700 1.400 peak 505 spectrum 1 weight 0.11000E+01 volume 0.26602E-03 ppm1 8.283 ppm2 4.679 CV 1 ASSI { 506} (( segid "alk1" and resid 10 and name HN )) (( segid "alk1" and resid 8 and name HA )) 3.800 3.800 2.200 peak 506 spectrum 1 weight 0.11000E+01 volume 0.47463E-03 ppm1 8.282 ppm2 4.551 CV 1 ASSI { 508} (( segid "alk1" and resid 10 and name HN )) (( segid "alk1" and resid 10 and name HB1 )) 3.000 3.000 3.000 peak 508 spectrum 1 weight 0.11000E+01 volume 0.26673E-02 ppm1 8.283 ppm2 3.840 CV 1 OR { 508} (( segid "alk1" and resid 10 and name HN )) (( segid "alk1" and resid 10 and name HB2 )) ASSI { 509} (( segid "alk1" and resid 10 and name HN )) (( segid "alk1" and resid 9 and name HB1 )) 4.400 2.400 1.600 peak 509 spectrum 1 weight 0.11000E+01 volume 0.49786E-03 ppm1 8.283 ppm2 2.285 CV 1 ASSI { 510} (( segid "alk1" and resid 10 and name HN )) (( segid "alk1" and resid 9 and name HB2 )) 3.600 1.700 1.700 peak 510 spectrum 1 weight 0.11000E+01 volume 0.83595E-03 ppm1 8.282 ppm2 1.918 CV 1 ASSI { 512} (( segid "alk1" and resid 54 and name HN )) (( segid "alk1" and resid 53 and name HA2 )) 3.200 1.300 1.300 peak 512 spectrum 1 weight 0.11000E+01 volume 0.11653E-02 ppm1 8.108 ppm2 2.241 CV 1 ASSI { 514} (( segid "alk1" and resid 29 and name HN )) (( segid "alk1" and resid 28 and name HA )) 2.400 0.700 0.700 peak 514 spectrum 1 weight 0.11000E+01 volume 0.42146E-02 ppm1 8.872 ppm2 5.361 CV 1 ASSI { 515} (( segid "alk1" and resid 29 and name HN )) (( segid "alk1" and resid 29 and name HA )) 3.000 1.100 1.100 peak 515 spectrum 1 weight 0.11000E+01 volume 0.14374E-02 ppm1 8.873 ppm2 4.872 CV 1 ASSI { 516} (( segid "alk1" and resid 29 and name HN )) (( segid "alk1" and resid 28 and name HB )) 2.500 0.800 0.800 peak 516 spectrum 1 weight 0.11000E+01 volume 0.37667E-02 ppm1 8.872 ppm2 4.223 CV 1 ASSI { 517} (( segid "alk1" and resid 29 and name HN )) (( segid "alk1" and resid 29 and name HB1 )) 6.000 5.400 0.000 peak 517 spectrum 1 weight 0.11000E+01 volume 0.12718E-04 ppm1 8.874 ppm2 2.818 CV 1 ASSI { 519} (( segid "alk1" and resid 29 and name HN )) ( segid "alk1" and resid 16 and name HG2%) 3.300 1.300 1.300 peak 519 spectrum 1 weight 0.11000E+01 volume 0.11299E-02 ppm1 8.874 ppm2 1.162 CV 1 ASSI { 520} (( segid "alk1" and resid 29 and name HN )) ( segid "alk1" and resid 28 and name HG2%) 3.800 1.800 1.800 peak 520 spectrum 1 weight 0.11000E+01 volume 0.15423E-02 ppm1 8.872 ppm2 0.988 CV 1 ASSI { 521} (( segid "alk1" and resid 81 and name HN )) (( segid "alk1" and resid 81 and name HA )) 4.000 2.000 2.000 peak 521 spectrum 1 weight 0.11000E+01 volume 0.33386E-03 ppm1 8.454 ppm2 4.563 CV 1 ASSI { 526} (( segid "alk1" and resid 60 and name HN )) (( segid "alk1" and resid 60 and name HB1 )) 2.500 0.800 0.800 peak 526 spectrum 1 weight 0.11000E+01 volume 0.53933E-02 ppm1 7.635 ppm2 2.806 CV 1 OR { 526} (( segid "alk1" and resid 60 and name HN )) (( segid "alk1" and resid 60 and name HB2 )) ASSI { 527} (( segid "alk1" and resid 60 and name HN )) (( segid "alk1" and resid 59 and name HB2 )) 3.500 1.500 1.500 peak 527 spectrum 1 weight 0.11000E+01 volume 0.82371E-03 ppm1 7.636 ppm2 1.405 CV 1 ASSI { 529} (( segid "alk1" and resid 51 and name HN )) (( segid "alk1" and resid 36 and name HA )) 4.300 2.300 1.700 peak 529 spectrum 1 weight 0.11000E+01 volume 0.33297E-03 ppm1 8.210 ppm2 4.765 CV 1 ASSI { 530} (( segid "alk1" and resid 51 and name HN )) (( segid "alk1" and resid 51 and name HA1 )) 3.200 1.300 1.300 peak 530 spectrum 1 weight 0.11000E+01 volume 0.91262E-03 ppm1 8.210 ppm2 4.477 CV 1 ASSI { 531} (( segid "alk1" and resid 51 and name HN )) (( segid "alk1" and resid 51 and name HA2 )) 2.900 1.000 1.000 peak 531 spectrum 1 weight 0.11000E+01 volume 0.14904E-02 ppm1 8.210 ppm2 3.876 CV 1 ASSI { 532} (( segid "alk1" and resid 51 and name HN )) (( segid "alk1" and resid 50 and name HB1 )) 3.000 1.100 1.100 peak 532 spectrum 1 weight 0.11000E+01 volume 0.14933E-02 ppm1 8.209 ppm2 1.798 CV 1 OR { 532} (( segid "alk1" and resid 51 and name HN )) (( segid "alk1" and resid 50 and name HB2 )) ASSI { 533} (( segid "alk1" and resid 51 and name HN )) (( segid "alk1" and resid 50 and name HA )) 2.300 0.600 0.600 peak 533 spectrum 1 weight 0.11000E+01 volume 0.51741E-02 ppm1 8.208 ppm2 5.224 CV 1 ASSI { 535} (( segid "alk1" and resid 23 and name HN )) (( segid "alk1" and resid 23 and name HA )) 4.200 2.200 1.800 peak 535 spectrum 1 weight 0.11000E+01 volume 0.14621E-03 ppm1 7.897 ppm2 4.682 CV 1 ASSI { 536} (( segid "alk1" and resid 75 and name HN )) (( segid "alk1" and resid 73 and name HA )) 4.700 2.800 1.300 peak 536 spectrum 1 weight 0.11000E+01 volume 0.54426E-03 ppm1 7.644 ppm2 4.790 CV 1 ASSI { 537} (( segid "alk1" and resid 75 and name HN )) (( segid "alk1" and resid 74 and name HA )) 2.800 1.000 1.000 peak 537 spectrum 1 weight 0.11000E+01 volume 0.27148E-02 ppm1 7.642 ppm2 5.165 CV 1 ASSI { 538} (( segid "alk1" and resid 75 and name HN )) (( segid "alk1" and resid 75 and name HA )) 2.700 0.900 0.900 peak 538 spectrum 1 weight 0.11000E+01 volume 0.25004E-02 ppm1 7.642 ppm2 4.898 CV 1 ASSI { 540} (( segid "alk1" and resid 75 and name HN )) (( segid "alk1" and resid 75 and name HB2 )) 3.000 1.200 1.200 peak 540 spectrum 1 weight 0.11000E+01 volume 0.13256E-02 ppm1 7.642 ppm2 4.056 CV 1 ASSI { 543} (( segid "alk1" and resid 75 and name HN )) (( segid "alk1" and resid 78 and name HB2 )) 2.900 1.100 1.100 peak 543 spectrum 1 weight 0.11000E+01 volume 0.13626E-02 ppm1 7.642 ppm2 3.417 CV 1 ASSI { 545} (( segid "alk1" and resid 75 and name HN )) (( segid "alk1" and resid 74 and name HB1 )) 4.400 2.400 1.600 peak 545 spectrum 1 weight 0.11000E+01 volume 0.34989E-03 ppm1 7.643 ppm2 2.923 CV 1 ASSI { 546} (( segid "alk1" and resid 75 and name HN )) (( segid "alk1" and resid 74 and name HB2 )) 4.300 2.300 1.700 peak 546 spectrum 1 weight 0.11000E+01 volume 0.38720E-03 ppm1 7.643 ppm2 2.676 CV 1 ASSI { 549} (( segid "alk1" and resid 89 and name HN )) (( segid "alk1" and resid 88 and name HA )) 2.300 0.700 0.700 peak 549 spectrum 1 weight 0.11000E+01 volume 0.73652E-02 ppm1 7.982 ppm2 4.304 CV 1 ASSI { 550} (( segid "alk1" and resid 89 and name HN )) (( segid "alk1" and resid 89 and name HB )) 3.200 1.200 1.200 peak 550 spectrum 1 weight 0.11000E+01 volume 0.15959E-02 ppm1 7.984 ppm2 4.158 CV 1 ASSI { 551} (( segid "alk1" and resid 89 and name HN )) ( segid "alk1" and resid 88 and name HB% ) 3.300 1.400 1.400 peak 551 spectrum 1 weight 0.11000E+01 volume 0.16030E-02 ppm1 7.983 ppm2 1.338 CV 1 ASSI { 552} (( segid "alk1" and resid 89 and name HN )) ( segid "alk1" and resid 89 and name HG2%) 3.400 1.500 1.500 peak 552 spectrum 1 weight 0.11000E+01 volume 0.10321E-02 ppm1 7.983 ppm2 1.154 CV 1 ASSI { 553} (( segid "alk1" and resid 98 and name HN )) (( segid "alk1" and resid 98 and name HB )) 4.500 2.600 1.500 peak 553 spectrum 1 weight 0.11000E+01 volume 0.18452E-03 ppm1 8.046 ppm2 4.254 CV 1 ASSI { 554} (( segid "alk1" and resid 98 and name HN )) (( segid "alk1" and resid 97 and name HA1 )) 3.100 1.200 1.200 peak 554 spectrum 1 weight 0.11000E+01 volume 0.17877E-02 ppm1 8.046 ppm2 4.056 CV 1 ASSI { 555} (( segid "alk1" and resid 98 and name HN )) (( segid "alk1" and resid 97 and name HA2 )) 3.100 1.200 1.200 peak 555 spectrum 1 weight 0.11000E+01 volume 0.13284E-02 ppm1 8.045 ppm2 3.971 CV 1 ASSI { 556} (( segid "alk1" and resid 98 and name HN )) (( segid "alk1" and resid 98 and name HA )) 3.500 1.600 1.600 peak 556 spectrum 1 weight 0.11000E+01 volume 0.67249E-03 ppm1 8.036 ppm2 4.379 CV 1 ASSI { 557} (( segid "alk1" and resid 33 and name HN )) (( segid "alk1" and resid 52 and name HA )) 4.000 2.000 2.000 peak 557 spectrum 1 weight 0.11000E+01 volume 0.36957E-03 ppm1 7.832 ppm2 5.190 CV 1 ASSI { 558} (( segid "alk1" and resid 33 and name HN )) (( segid "alk1" and resid 33 and name HA )) 2.900 1.100 1.100 peak 558 spectrum 1 weight 0.11000E+01 volume 0.10940E-02 ppm1 7.832 ppm2 4.641 CV 1 ASSI { 561} (( segid "alk1" and resid 33 and name HN )) (( segid "alk1" and resid 33 and name HB1 )) 4.200 2.200 1.800 peak 561 spectrum 1 weight 0.11000E+01 volume 0.19845E-03 ppm1 7.832 ppm2 3.530 CV 1 ASSI { 563} (( segid "alk1" and resid 33 and name HN )) ( segid "alk1" and resid 32 and name HB% ) 2.600 0.900 0.900 peak 563 spectrum 1 weight 0.11000E+01 volume 0.40208E-02 ppm1 7.833 ppm2 1.497 CV 1 ASSI { 564} (( segid "alk1" and resid 33 and name HN )) ( segid "alk1" and resid 15 and name HG2%) 4.100 2.100 1.900 peak 564 spectrum 1 weight 0.11000E+01 volume 0.65536E-03 ppm1 7.833 ppm2 0.789 CV 1 OR { 564} (( segid "alk1" and resid 33 and name HN )) ( segid "alk1" and resid 15 and name HG1%) ASSI { 565} (( segid "alk1" and resid 47 and name HE22)) (( segid "alk1" and resid 47 and name HG2 )) 4.100 2.100 1.900 peak 565 spectrum 1 weight 0.11000E+01 volume 0.10386E-02 ppm1 7.564 ppm2 2.338 CV 1 OR { 565} (( segid "alk1" and resid 47 and name HE22)) (( segid "alk1" and resid 47 and name HG1 )) ASSI { 566} (( segid "alk1" and resid 53 and name HN )) (( segid "alk1" and resid 52 and name HB2 )) 3.300 1.400 1.400 peak 566 spectrum 1 weight 0.11000E+01 volume 0.11345E-02 ppm1 8.682 ppm2 2.447 CV 1 ASSI { 568} (( segid "alk1" and resid 53 and name HN )) (( segid "alk1" and resid 52 and name HA )) 2.200 0.600 0.600 peak 568 spectrum 1 weight 0.11000E+01 volume 0.52639E-02 ppm1 8.682 ppm2 5.199 CV 1 ASSI { 569} (( segid "alk1" and resid 53 and name HN )) (( segid "alk1" and resid 53 and name HA2 )) 3.100 1.200 1.200 peak 569 spectrum 1 weight 0.11000E+01 volume 0.20557E-02 ppm1 8.682 ppm2 2.242 CV 1 ASSI { 570} (( segid "alk1" and resid 53 and name HN )) ( segid "alk1" and resid 35 and name HG2%) 3.300 1.400 1.400 peak 570 spectrum 1 weight 0.11000E+01 volume 0.11525E-02 ppm1 8.681 ppm2 1.237 CV 1 ASSI { 575} (( segid "alk1" and resid 43 and name HN )) (( segid "alk1" and resid 43 and name HA1 )) 2.800 1.000 1.000 peak 575 spectrum 1 weight 0.11000E+01 volume 0.47678E-02 ppm1 8.671 ppm2 3.743 CV 1 ASSI { 576} (( segid "alk1" and resid 43 and name HN )) (( segid "alk1" and resid 42 and name HG2 )) 4.000 2.000 2.000 peak 576 spectrum 1 weight 0.11000E+01 volume 0.72552E-03 ppm1 8.671 ppm2 2.251 CV 1 OR { 576} (( segid "alk1" and resid 43 and name HN )) (( segid "alk1" and resid 42 and name HG1 )) ASSI { 577} (( segid "alk1" and resid 43 and name HN )) (( segid "alk1" and resid 42 and name HB1 )) 3.600 1.600 1.600 peak 577 spectrum 1 weight 0.11000E+01 volume 0.19221E-02 ppm1 8.671 ppm2 1.977 CV 1 OR { 577} (( segid "alk1" and resid 43 and name HN )) (( segid "alk1" and resid 42 and name HB2 )) ASSI { 578} (( segid "alk1" and resid 31 and name HN )) (( segid "alk1" and resid 30 and name HA )) 2.100 0.600 0.600 peak 578 spectrum 1 weight 0.11000E+01 volume 0.71858E-02 ppm1 8.867 ppm2 5.582 CV 1 ASSI { 579} (( segid "alk1" and resid 31 and name HN )) (( segid "alk1" and resid 16 and name HA )) 4.300 2.300 1.700 peak 579 spectrum 1 weight 0.11000E+01 volume 0.37245E-03 ppm1 8.867 ppm2 4.886 CV 1 ASSI { 580} (( segid "alk1" and resid 31 and name HN )) (( segid "alk1" and resid 14 and name HA )) 4.200 2.200 1.800 peak 580 spectrum 1 weight 0.11000E+01 volume 0.61952E-03 ppm1 8.868 ppm2 4.511 CV 1 ASSI { 581} (( segid "alk1" and resid 31 and name HN )) (( segid "alk1" and resid 31 and name HA1 )) 2.600 0.900 0.900 peak 581 spectrum 1 weight 0.11000E+01 volume 0.19409E-02 ppm1 8.866 ppm2 4.424 CV 1 ASSI { 582} (( segid "alk1" and resid 31 and name HN )) (( segid "alk1" and resid 31 and name HA2 )) 3.000 1.100 1.100 peak 582 spectrum 1 weight 0.11000E+01 volume 0.15156E-02 ppm1 8.867 ppm2 3.337 CV 1 ASSI { 584} (( segid "alk1" and resid 31 and name HN )) (( segid "alk1" and resid 14 and name HB2 )) 2.900 2.900 3.100 peak 584 spectrum 1 weight 0.11000E+01 volume 0.59052E-03 ppm1 8.866 ppm2 1.225 CV 1 ASSI { 585} (( segid "alk1" and resid 31 and name HN )) ( segid "alk1" and resid 14 and name HD2%) 3.700 1.700 1.700 peak 585 spectrum 1 weight 0.11000E+01 volume 0.68120E-03 ppm1 8.866 ppm2 0.650 CV 1 ASSI { 589} (( segid "alk1" and resid 65 and name HN )) ( segid "alk1" and resid 65 and name HG2%) 3.600 1.700 1.700 peak 589 spectrum 1 weight 0.11000E+01 volume 0.84963E-03 ppm1 7.941 ppm2 1.219 CV 1 ASSI { 590} (( segid "alk1" and resid 35 and name HN )) (( segid "alk1" and resid 34 and name HA )) 2.200 0.600 0.600 peak 590 spectrum 1 weight 0.11000E+01 volume 0.63427E-02 ppm1 8.934 ppm2 5.899 CV 1 ASSI { 591} (( segid "alk1" and resid 35 and name HN )) (( segid "alk1" and resid 52 and name HA )) 3.100 1.200 1.200 peak 591 spectrum 1 weight 0.11000E+01 volume 0.14820E-02 ppm1 8.934 ppm2 5.200 CV 1 ASSI { 592} (( segid "alk1" and resid 35 and name HN )) (( segid "alk1" and resid 34 and name HB1 )) 3.100 1.200 1.200 peak 592 spectrum 1 weight 0.11000E+01 volume 0.22244E-02 ppm1 8.935 ppm2 3.184 CV 1 ASSI { 593} (( segid "alk1" and resid 35 and name HN )) ( segid "alk1" and resid 35 and name HG2%) 3.000 1.200 1.200 peak 593 spectrum 1 weight 0.11000E+01 volume 0.14893E-02 ppm1 8.935 ppm2 1.237 CV 1 ASSI { 595} (( segid "alk1" and resid 12 and name HN )) (( segid "alk1" and resid 11 and name HA )) 2.500 0.800 0.800 peak 595 spectrum 1 weight 0.11000E+01 volume 0.47235E-02 ppm1 8.247 ppm2 4.433 CV 1 ASSI { 596} (( segid "alk1" and resid 12 and name HN )) (( segid "alk1" and resid 12 and name HA2 )) 2.800 1.000 1.000 peak 596 spectrum 1 weight 0.11000E+01 volume 0.27263E-02 ppm1 8.247 ppm2 4.059 CV 1 ASSI { 597} (( segid "alk1" and resid 12 and name HN )) (( segid "alk1" and resid 13 and name HD2 )) 4.900 3.000 1.100 peak 597 spectrum 1 weight 0.11000E+01 volume 0.28037E-03 ppm1 8.251 ppm2 3.636 CV 1 OR { 597} (( segid "alk1" and resid 12 and name HN )) (( segid "alk1" and resid 13 and name HD1 )) ASSI { 599} (( segid "alk1" and resid 12 and name HN )) (( segid "alk1" and resid 11 and name HG2 )) 4.700 2.700 1.300 peak 599 spectrum 1 weight 0.11000E+01 volume 0.18137E-03 ppm1 8.247 ppm2 1.668 CV 1 ASSI { 600} (( segid "alk1" and resid 12 and name HN )) (( segid "alk1" and resid 12 and name HA1 )) 3.000 1.100 1.100 peak 600 spectrum 1 weight 0.11000E+01 volume 0.20752E-02 ppm1 8.246 ppm2 4.193 CV 1 ASSI { 601} (( segid "alk1" and resid 12 and name HN )) (( segid "alk1" and resid 8 and name HB1 )) 2.900 2.900 3.100 peak 601 spectrum 1 weight 0.11000E+01 volume 0.60393E-03 ppm1 8.246 ppm2 1.792 CV 1 ASSI { 605} (( segid "alk1" and resid 97 and name HN )) (( segid "alk1" and resid 96 and name HB1 )) 5.700 4.100 0.300 peak 605 spectrum 1 weight 0.11000E+01 volume 0.81117E-04 ppm1 8.479 ppm2 1.937 CV 1 ASSI { 607} (( segid "alk1" and resid 97 and name HN )) (( segid "alk1" and resid 96 and name HA )) 2.500 0.800 0.800 peak 607 spectrum 1 weight 0.11000E+01 volume 0.51777E-02 ppm1 8.476 ppm2 4.428 CV 1 ASSI { 608} (( segid "alk1" and resid 97 and name HN )) (( segid "alk1" and resid 97 and name HA1 )) 2.800 1.000 1.000 peak 608 spectrum 1 weight 0.11000E+01 volume 0.25398E-02 ppm1 8.476 ppm2 4.055 CV 1 ASSI { 609} (( segid "alk1" and resid 97 and name HN )) (( segid "alk1" and resid 97 and name HA2 )) 2.900 1.100 1.100 peak 609 spectrum 1 weight 0.11000E+01 volume 0.24600E-02 ppm1 8.476 ppm2 3.968 CV 1 ASSI { 610} (( segid "alk1" and resid 100 and name HN )) (( segid "alk1" and resid 99 and name HA )) 3.800 1.800 1.800 peak 610 spectrum 1 weight 0.11000E+01 volume 0.48368E-03 ppm1 8.290 ppm2 4.594 CV 1 ASSI { 611} (( segid "alk1" and resid 100 and name HN )) (( segid "alk1" and resid 100 and name HA2 )) 3.300 1.400 1.400 peak 611 spectrum 1 weight 0.11000E+01 volume 0.12560E-02 ppm1 8.291 ppm2 3.877 CV 1 ASSI { 618} (( segid "alk1" and resid 26 and name HN )) (( segid "alk1" and resid 25 and name HA )) 2.600 0.800 0.800 peak 618 spectrum 1 weight 0.11000E+01 volume 0.42344E-02 ppm1 7.768 ppm2 4.403 CV 1 ASSI { 619} (( segid "alk1" and resid 26 and name HN )) (( segid "alk1" and resid 26 and name HA2 )) 2.200 0.600 0.600 peak 619 spectrum 1 weight 0.11000E+01 volume 0.69652E-02 ppm1 7.768 ppm2 4.190 CV 1 ASSI { 620} (( segid "alk1" and resid 26 and name HN )) (( segid "alk1" and resid 27 and name HD2 )) 3.200 1.300 1.300 peak 620 spectrum 1 weight 0.11000E+01 volume 0.67805E-03 ppm1 7.768 ppm2 3.792 CV 1 ASSI { 621} (( segid "alk1" and resid 26 and name HN )) (( segid "alk1" and resid 27 and name HD1 )) 2.600 0.900 0.900 peak 621 spectrum 1 weight 0.11000E+01 volume 0.37899E-02 ppm1 7.768 ppm2 3.537 CV 1 ASSI { 622} (( segid "alk1" and resid 26 and name HN )) (( segid "alk1" and resid 24 and name HB2 )) 2.700 0.900 0.900 peak 622 spectrum 1 weight 0.11000E+01 volume 0.19727E-02 ppm1 7.768 ppm2 3.054 CV 1 ASSI { 624} (( segid "alk1" and resid 26 and name HN )) (( segid "alk1" and resid 25 and name HB2 )) 3.600 1.600 1.600 peak 624 spectrum 1 weight 0.11000E+01 volume 0.92834E-03 ppm1 7.768 ppm2 1.746 CV 1 ASSI { 625} (( segid "alk1" and resid 28 and name HN )) (( segid "alk1" and resid 19 and name HB2 )) 3.900 1.900 1.900 peak 625 spectrum 1 weight 0.11000E+01 volume 0.35257E-03 ppm1 7.600 ppm2 1.624 CV 1 ASSI { 626} (( segid "alk1" and resid 28 and name HN )) (( segid "alk1" and resid 27 and name HA )) 3.800 1.800 1.800 peak 626 spectrum 1 weight 0.11000E+01 volume 0.85147E-03 ppm1 7.599 ppm2 4.823 CV 1 ASSI { 628} (( segid "alk1" and resid 28 and name HN )) (( segid "alk1" and resid 27 and name HD1 )) 4.100 2.100 1.900 peak 628 spectrum 1 weight 0.11000E+01 volume 0.95355E-03 ppm1 7.599 ppm2 3.548 CV 1 ASSI { 629} (( segid "alk1" and resid 28 and name HN )) (( segid "alk1" and resid 27 and name HB2 )) 2.600 0.800 0.800 peak 629 spectrum 1 weight 0.11000E+01 volume 0.19867E-02 ppm1 7.599 ppm2 2.104 CV 1 ASSI { 630} (( segid "alk1" and resid 28 and name HN )) (( segid "alk1" and resid 27 and name HG1 )) 2.900 2.900 3.100 peak 630 spectrum 1 weight 0.11000E+01 volume 0.15366E-02 ppm1 7.599 ppm2 1.996 CV 1 OR { 630} (( segid "alk1" and resid 28 and name HN )) (( segid "alk1" and resid 27 and name HG2 )) ASSI { 631} (( segid "alk1" and resid 28 and name HN )) ( segid "alk1" and resid 28 and name HG2%) 2.900 1.100 1.100 peak 631 spectrum 1 weight 0.11000E+01 volume 0.23511E-02 ppm1 7.599 ppm2 0.986 CV 1 ASSI { 632} (( segid "alk1" and resid 62 and name HN )) (( segid "alk1" and resid 61 and name HA )) 2.600 0.900 0.900 peak 632 spectrum 1 weight 0.11000E+01 volume 0.37503E-02 ppm1 8.140 ppm2 4.495 CV 1 ASSI { 633} (( segid "alk1" and resid 62 and name HN )) (( segid "alk1" and resid 62 and name HA1 )) 2.800 1.000 1.000 peak 633 spectrum 1 weight 0.11000E+01 volume 0.27466E-02 ppm1 8.140 ppm2 4.140 CV 1 ASSI { 634} (( segid "alk1" and resid 62 and name HN )) (( segid "alk1" and resid 62 and name HA2 )) 2.800 1.000 1.000 peak 634 spectrum 1 weight 0.11000E+01 volume 0.32758E-02 ppm1 8.140 ppm2 3.888 CV 1 ASSI { 635} (( segid "alk1" and resid 62 and name HN )) (( segid "alk1" and resid 61 and name HB2 )) 3.700 1.700 1.700 peak 635 spectrum 1 weight 0.11000E+01 volume 0.56933E-03 ppm1 8.141 ppm2 1.910 CV 1 ASSI { 637} (( segid "alk1" and resid 28 and name HN )) (( segid "alk1" and resid 28 and name HA )) 2.700 0.900 0.900 peak 637 spectrum 1 weight 0.11000E+01 volume 0.19536E-02 ppm1 7.598 ppm2 5.363 CV 1 ASSI { 638} (( segid "alk1" and resid 28 and name HN )) (( segid "alk1" and resid 28 and name HB )) 2.900 1.000 1.000 peak 638 spectrum 1 weight 0.11000E+01 volume 0.27457E-02 ppm1 7.599 ppm2 4.205 CV 1 ASSI { 639} (( segid "alk1" and resid 28 and name HN )) (( segid "alk1" and resid 27 and name HB1 )) 4.700 2.700 1.300 peak 639 spectrum 1 weight 0.11000E+01 volume 0.65894E-03 ppm1 7.599 ppm2 2.383 CV 1 ASSI { 641} (( segid "alk1" and resid 33 and name HE1 )) (( segid "alk1" and resid 33 and name HZ2 )) 2.600 2.600 3.400 peak 641 spectrum 1 weight 0.11000E+01 volume 0.40835E-02 ppm1 9.884 ppm2 7.057 CV 1 ASSI { 643} (( segid "alk1" and resid 20 and name HN )) (( segid "alk1" and resid 21 and name HN )) 4.200 2.200 1.800 peak 643 spectrum 1 weight 0.11000E+01 volume 0.36082E-03 ppm1 9.105 ppm2 7.769 CV 1 ASSI { 648} (( segid "alk1" and resid 71 and name HN )) ( segid "alk1" and resid 71 and name HD% ) 4.400 2.500 1.600 peak 648 spectrum 1 weight 0.11000E+01 volume 0.58465E-03 ppm1 9.068 ppm2 6.866 CV 1 ASSI { 651} (( segid "alk1" and resid 77 and name HN )) (( segid "alk1" and resid 76 and name HN )) 4.700 2.700 1.300 peak 651 spectrum 1 weight 0.11000E+01 volume 0.31928E-03 ppm1 9.772 ppm2 8.305 CV 1 ASSI { 652} (( segid "alk1" and resid 36 and name HN )) ( segid "alk1" and resid 71 and name HD% ) 3.800 1.800 1.800 peak 652 spectrum 1 weight 0.11000E+01 volume 0.65663E-03 ppm1 8.841 ppm2 6.856 CV 1 ASSI { 662} (( segid "alk1" and resid 31 and name HN )) (( segid "alk1" and resid 30 and name HN )) 4.100 2.100 1.900 peak 662 spectrum 1 weight 0.11000E+01 volume 0.51586E-03 ppm1 8.870 ppm2 8.486 CV 1 ASSI { 665} (( segid "alk1" and resid 35 and name HN )) (( segid "alk1" and resid 23 and name HE1 )) 3.000 1.200 1.200 peak 665 spectrum 1 weight 0.10000E+01 volume 0.12986E-02 ppm1 8.935 ppm2 8.067 CV 1 ASSI { 666} (( segid "alk1" and resid 20 and name HN )) (( segid "alk1" and resid 50 and name HN )) 2.900 1.100 1.100 peak 666 spectrum 1 weight 0.11000E+01 volume 0.15745E-02 ppm1 9.106 ppm2 8.854 CV 1 ASSI { 670} (( segid "alk1" and resid 15 and name HN )) (( segid "alk1" and resid 31 and name HN )) 2.600 0.800 0.800 peak 670 spectrum 1 weight 0.11000E+01 volume 0.25632E-02 ppm1 9.110 ppm2 8.870 CV 1 ASSI { 673} (( segid "alk1" and resid 60 and name HN )) (( segid "alk1" and resid 58 and name HN )) 4.000 2.000 2.000 peak 673 spectrum 1 weight 0.11000E+01 volume 0.42183E-03 ppm1 7.635 ppm2 9.760 CV 1 ASSI { 674} (( segid "alk1" and resid 15 and name HN )) (( segid "alk1" and resid 30 and name HA )) 4.200 2.200 1.800 peak 674 spectrum 1 weight 0.11000E+01 volume 0.56793E-03 ppm1 9.114 ppm2 5.582 CV 1 ASSI { 675} (( segid "alk1" and resid 15 and name HN )) (( segid "alk1" and resid 31 and name HA2 )) 5.600 3.900 0.400 peak 675 spectrum 1 weight 0.11000E+01 volume 0.96947E-04 ppm1 9.115 ppm2 3.341 CV 1 ASSI { 676} (( segid "alk1" and resid 15 and name HN )) (( segid "alk1" and resid 30 and name HD1 )) 5.600 3.900 0.400 peak 676 spectrum 1 weight 0.11000E+01 volume 0.86173E-04 ppm1 9.112 ppm2 3.062 CV 1 OR { 676} (( segid "alk1" and resid 15 and name HN )) (( segid "alk1" and resid 30 and name HD2 )) ASSI { 677} (( segid "alk1" and resid 15 and name HN )) (( segid "alk1" and resid 32 and name HN )) 4.400 2.400 1.600 peak 677 spectrum 1 weight 0.11000E+01 volume 0.21140E-03 ppm1 9.110 ppm2 7.736 CV 1 ASSI { 678} (( segid "alk1" and resid 16 and name HN )) (( segid "alk1" and resid 77 and name HN )) 4.000 2.000 2.000 peak 678 spectrum 1 weight 0.11000E+01 volume 0.49602E-03 ppm1 8.893 ppm2 9.771 CV 1 ASSI { 680} (( segid "alk1" and resid 16 and name HN )) (( segid "alk1" and resid 30 and name HA )) 4.900 3.100 1.100 peak 680 spectrum 1 weight 0.11000E+01 volume 0.10984E-03 ppm1 8.896 ppm2 5.586 CV 1 ASSI { 681} (( segid "alk1" and resid 16 and name HN )) (( segid "alk1" and resid 76 and name HB2 )) 3.500 1.500 1.500 peak 681 spectrum 1 weight 0.11000E+01 volume 0.67255E-03 ppm1 8.891 ppm2 3.069 CV 1 OR { 681} (( segid "alk1" and resid 16 and name HN )) (( segid "alk1" and resid 76 and name HB1 )) ASSI { 682} (( segid "alk1" and resid 16 and name HN )) ( segid "alk1" and resid 77 and name HD2%) 5.300 3.600 0.700 peak 682 spectrum 1 weight 0.11000E+01 volume 0.11383E-03 ppm1 8.893 ppm2 0.544 CV 1 ASSI { 684} (( segid "alk1" and resid 17 and name HN )) (( segid "alk1" and resid 28 and name HA )) 4.300 2.300 1.700 peak 684 spectrum 1 weight 0.11000E+01 volume 0.34563E-03 ppm1 9.166 ppm2 5.366 CV 1 ASSI { 685} (( segid "alk1" and resid 17 and name HN )) ( segid "alk1" and resid 77 and name HD2%) 4.300 2.300 1.700 peak 685 spectrum 1 weight 0.11000E+01 volume 0.47543E-03 ppm1 9.165 ppm2 0.542 CV 1 ASSI { 686} (( segid "alk1" and resid 17 and name HN )) ( segid "alk1" and resid 15 and name HG1%) 5.200 3.400 0.800 peak 686 spectrum 1 weight 0.11000E+01 volume 0.91138E-04 ppm1 9.169 ppm2 0.784 CV 1 OR { 686} (( segid "alk1" and resid 17 and name HN )) ( segid "alk1" and resid 15 and name HG2%) ASSI { 687} (( segid "alk1" and resid 17 and name HN )) ( segid "alk1" and resid 28 and name HG2%) 4.400 2.400 1.600 peak 687 spectrum 1 weight 0.11000E+01 volume 0.35361E-03 ppm1 9.164 ppm2 0.992 CV 1 ASSI { 689} (( segid "alk1" and resid 17 and name HN )) (( segid "alk1" and resid 16 and name HB )) 4.700 2.800 1.300 peak 689 spectrum 1 weight 0.11000E+01 volume 0.33819E-03 ppm1 9.167 ppm2 4.136 CV 1 ASSI { 692} (( segid "alk1" and resid 18 and name HN )) (( segid "alk1" and resid 77 and name HN )) 4.700 2.800 1.300 peak 692 spectrum 1 weight 0.11000E+01 volume 0.39209E-03 ppm1 8.932 ppm2 9.773 CV 1 ASSI { 693} (( segid "alk1" and resid 18 and name HN )) (( segid "alk1" and resid 80 and name HA )) 4.300 2.300 1.700 peak 693 spectrum 1 weight 0.11000E+01 volume 0.36631E-03 ppm1 8.933 ppm2 4.158 CV 1 ASSI { 694} (( segid "alk1" and resid 18 and name HN )) (( segid "alk1" and resid 50 and name HB1 )) 4.800 4.800 1.200 peak 694 spectrum 1 weight 0.11000E+01 volume 0.12923E-03 ppm1 8.930 ppm2 1.818 CV 1 OR { 694} (( segid "alk1" and resid 18 and name HN )) (( segid "alk1" and resid 50 and name HB2 )) ASSI { 695} (( segid "alk1" and resid 18 and name HN )) (( segid "alk1" and resid 77 and name HB1 )) 5.100 3.200 0.900 peak 695 spectrum 1 weight 0.11000E+01 volume 0.20893E-03 ppm1 8.935 ppm2 1.603 CV 1 OR { 695} (( segid "alk1" and resid 18 and name HN )) (( segid "alk1" and resid 77 and name HB2 )) ASSI { 696} (( segid "alk1" and resid 18 and name HN )) ( segid "alk1" and resid 77 and name HD1%) 5.100 3.300 0.900 peak 696 spectrum 1 weight 0.11000E+01 volume 0.26743E-03 ppm1 8.934 ppm2 0.639 CV 1 ASSI { 698} (( segid "alk1" and resid 18 and name HN )) (( segid "alk1" and resid 80 and name HB2 )) 2.900 1.100 1.100 peak 698 spectrum 1 weight 0.11000E+01 volume 0.14152E-02 ppm1 8.929 ppm2 3.373 CV 1 ASSI { 701} (( segid "alk1" and resid 18 and name HN )) (( segid "alk1" and resid 17 and name HN )) 4.500 2.500 1.500 peak 701 spectrum 1 weight 0.11000E+01 volume 0.26690E-03 ppm1 8.923 ppm2 9.164 CV 1 ASSI { 702} (( segid "alk1" and resid 19 and name HN )) ( segid "alk1" and resid 77 and name HD2%) 3.900 1.900 1.900 peak 702 spectrum 1 weight 0.11000E+01 volume 0.88013E-04 ppm1 8.227 ppm2 0.543 CV 1 ASSI { 703} (( segid "alk1" and resid 19 and name HN )) (( segid "alk1" and resid 27 and name HB2 )) 5.000 5.000 1.000 peak 703 spectrum 1 weight 0.11000E+01 volume 0.14545E-03 ppm1 8.229 ppm2 2.138 CV 1 ASSI { 704} (( segid "alk1" and resid 19 and name HN )) (( segid "alk1" and resid 50 and name HB1 )) 4.900 4.900 1.100 peak 704 spectrum 1 weight 0.11000E+01 volume 0.13180E-03 ppm1 8.227 ppm2 1.825 CV 1 OR { 704} (( segid "alk1" and resid 19 and name HN )) (( segid "alk1" and resid 50 and name HB2 )) ASSI { 705} (( segid "alk1" and resid 19 and name HN )) (( segid "alk1" and resid 18 and name HB )) 4.000 2.000 2.000 peak 705 spectrum 1 weight 0.11000E+01 volume 0.64047E-03 ppm1 8.229 ppm2 3.492 CV 1 ASSI { 706} (( segid "alk1" and resid 19 and name HN )) (( segid "alk1" and resid 28 and name HB )) 4.300 2.300 1.700 peak 706 spectrum 1 weight 0.11000E+01 volume 0.69743E-03 ppm1 8.229 ppm2 4.217 CV 1 ASSI { 709} (( segid "alk1" and resid 19 and name HN )) (( segid "alk1" and resid 29 and name HN )) 4.000 2.000 2.000 peak 709 spectrum 1 weight 0.11000E+01 volume 0.11521E-02 ppm1 8.229 ppm2 8.875 CV 1 ASSI { 710} (( segid "alk1" and resid 19 and name HN )) (( segid "alk1" and resid 20 and name HN )) 4.100 2.100 1.900 peak 710 spectrum 1 weight 0.11000E+01 volume 0.41171E-03 ppm1 8.229 ppm2 9.116 CV 1 ASSI { 712} (( segid "alk1" and resid 28 and name HN )) (( segid "alk1" and resid 29 and name HN )) 3.800 1.800 1.800 peak 712 spectrum 1 weight 0.11000E+01 volume 0.73685E-03 ppm1 7.598 ppm2 8.877 CV 1 ASSI { 713} (( segid "alk1" and resid 28 and name HN )) (( segid "alk1" and resid 19 and name HN )) 3.500 1.500 1.500 peak 713 spectrum 1 weight 0.11000E+01 volume 0.10795E-02 ppm1 7.602 ppm2 8.231 CV 1 ASSI { 717} (( segid "alk1" and resid 29 and name HN )) (( segid "alk1" and resid 17 and name HN )) 2.900 1.100 1.100 peak 717 spectrum 1 weight 0.11000E+01 volume 0.15567E-02 ppm1 8.871 ppm2 9.163 CV 1 ASSI { 718} (( segid "alk1" and resid 29 and name HN )) (( segid "alk1" and resid 18 and name HA )) 4.200 2.200 1.800 peak 718 spectrum 1 weight 0.11000E+01 volume 0.54560E-03 ppm1 8.871 ppm2 4.010 CV 1 ASSI { 720} (( segid "alk1" and resid 29 and name HN )) (( segid "alk1" and resid 29 and name HB2 )) 4.300 2.300 1.700 peak 720 spectrum 1 weight 0.11000E+01 volume 0.48298E-03 ppm1 8.870 ppm2 3.480 CV 1 ASSI { 721} (( segid "alk1" and resid 29 and name HN )) (( segid "alk1" and resid 17 and name HB1 )) 4.800 2.900 1.200 peak 721 spectrum 1 weight 0.11000E+01 volume 0.26354E-03 ppm1 8.867 ppm2 2.961 CV 1 ASSI { 723} (( segid "alk1" and resid 30 and name HN )) (( segid "alk1" and resid 17 and name HN )) 5.500 5.500 0.500 peak 723 spectrum 1 weight 0.11000E+01 volume 0.97960E-04 ppm1 8.488 ppm2 9.128 CV 1 ASSI { 724} (( segid "alk1" and resid 30 and name HN )) (( segid "alk1" and resid 16 and name HB )) 4.800 2.900 1.200 peak 724 spectrum 1 weight 0.11000E+01 volume 0.29638E-03 ppm1 8.485 ppm2 4.147 CV 1 ASSI { 725} (( segid "alk1" and resid 30 and name HN )) (( segid "alk1" and resid 30 and name HD2 )) 4.500 2.500 1.500 peak 725 spectrum 1 weight 0.11000E+01 volume 0.43859E-03 ppm1 8.485 ppm2 3.066 CV 1 OR { 725} (( segid "alk1" and resid 30 and name HN )) (( segid "alk1" and resid 30 and name HD1 )) ASSI { 727} (( segid "alk1" and resid 31 and name HN )) (( segid "alk1" and resid 52 and name HB2 )) 3.800 1.800 1.800 peak 727 spectrum 1 weight 0.11000E+01 volume 0.44275E-03 ppm1 8.866 ppm2 2.451 CV 1 ASSI { 728} (( segid "alk1" and resid 31 and name HN )) (( segid "alk1" and resid 15 and name HB )) 5.000 3.100 1.000 peak 728 spectrum 1 weight 0.11000E+01 volume 0.10403E-03 ppm1 8.865 ppm2 1.842 CV 1 ASSI { 729} (( segid "alk1" and resid 31 and name HN )) (( segid "alk1" and resid 30 and name HD1 )) 2.900 2.900 3.100 peak 729 spectrum 1 weight 0.11000E+01 volume 0.50403E-03 ppm1 8.866 ppm2 3.064 CV 1 OR { 729} (( segid "alk1" and resid 31 and name HN )) (( segid "alk1" and resid 30 and name HD2 )) ASSI { 732} (( segid "alk1" and resid 33 and name HN )) (( segid "alk1" and resid 33 and name HE1 )) 6.000 4.500 0.000 peak 732 spectrum 1 weight 0.11000E+01 volume 0.78107E-04 ppm1 7.835 ppm2 9.890 CV 1 ASSI { 733} (( segid "alk1" and resid 33 and name HN )) (( segid "alk1" and resid 34 and name HN )) 3.800 1.800 1.800 peak 733 spectrum 1 weight 0.11000E+01 volume 0.61067E-03 ppm1 7.833 ppm2 9.305 CV 1 ASSI { 734} (( segid "alk1" and resid 33 and name HN )) (( segid "alk1" and resid 53 and name HN )) 2.800 1.000 1.000 peak 734 spectrum 1 weight 0.11000E+01 volume 0.24772E-02 ppm1 7.833 ppm2 8.684 CV 1 ASSI { 735} (( segid "alk1" and resid 33 and name HN )) (( segid "alk1" and resid 34 and name HA )) 4.800 2.800 1.200 peak 735 spectrum 1 weight 0.11000E+01 volume 0.12344E-03 ppm1 7.835 ppm2 5.900 CV 1 ASSI { 736} (( segid "alk1" and resid 33 and name HN )) (( segid "alk1" and resid 52 and name HB1 )) 4.300 2.300 1.700 peak 736 spectrum 1 weight 0.11000E+01 volume 0.42605E-03 ppm1 7.833 ppm2 2.899 CV 1 ASSI { 737} (( segid "alk1" and resid 33 and name HN )) (( segid "alk1" and resid 52 and name HB2 )) 4.400 2.400 1.600 peak 737 spectrum 1 weight 0.11000E+01 volume 0.35626E-03 ppm1 7.833 ppm2 2.459 CV 1 ASSI { 738} (( segid "alk1" and resid 33 and name HN )) (( segid "alk1" and resid 53 and name HA2 )) 5.000 3.100 1.000 peak 738 spectrum 1 weight 0.11000E+01 volume 0.39991E-03 ppm1 7.833 ppm2 2.242 CV 1 ASSI { 739} (( segid "alk1" and resid 33 and name HN )) ( segid "alk1" and resid 35 and name HG2%) 4.900 3.000 1.100 peak 739 spectrum 1 weight 0.11000E+01 volume 0.34643E-03 ppm1 7.832 ppm2 1.233 CV 1 ASSI { 741} (( segid "alk1" and resid 34 and name HN )) (( segid "alk1" and resid 33 and name HD1 )) 4.700 2.700 1.300 peak 741 spectrum 1 weight 0.11000E+01 volume 0.12021E-03 ppm1 9.303 ppm2 7.241 CV 1 ASSI { 743} (( segid "alk1" and resid 34 and name HN )) (( segid "alk1" and resid 53 and name HN )) 5.700 4.100 0.300 peak 743 spectrum 1 weight 0.11000E+01 volume 0.59451E-04 ppm1 9.304 ppm2 8.690 CV 1 ASSI { 744} (( segid "alk1" and resid 34 and name HN )) (( segid "alk1" and resid 72 and name HB1 )) 3.900 1.900 1.900 peak 744 spectrum 1 weight 0.11000E+01 volume 0.77869E-03 ppm1 9.306 ppm2 2.915 CV 1 ASSI { 745} (( segid "alk1" and resid 34 and name HN )) (( segid "alk1" and resid 72 and name HB2 )) 5.600 3.900 0.400 peak 745 spectrum 1 weight 0.11000E+01 volume 0.11495E-03 ppm1 9.309 ppm2 2.694 CV 1 ASSI { 746} (( segid "alk1" and resid 34 and name HN )) ( segid "alk1" and resid 35 and name HG2%) 5.200 3.300 0.800 peak 746 spectrum 1 weight 0.11000E+01 volume 0.83816E-04 ppm1 9.309 ppm2 1.237 CV 1 ASSI { 747} (( segid "alk1" and resid 34 and name HN )) (( segid "alk1" and resid 73 and name HA )) 3.500 1.500 1.500 peak 747 spectrum 1 weight 0.11000E+01 volume 0.16278E-02 ppm1 9.305 ppm2 4.760 CV 1 ASSI { 748} (( segid "alk1" and resid 34 and name HN )) (( segid "alk1" and resid 72 and name HA )) 4.200 2.200 1.800 peak 748 spectrum 1 weight 0.11000E+01 volume 0.56028E-03 ppm1 9.307 ppm2 5.795 CV 1 ASSI { 750} (( segid "alk1" and resid 34 and name HN )) (( segid "alk1" and resid 35 and name HN )) 4.400 2.400 1.600 peak 750 spectrum 1 weight 0.11000E+01 volume 0.30997E-03 ppm1 9.306 ppm2 8.950 CV 1 ASSI { 751} (( segid "alk1" and resid 34 and name HN )) (( segid "alk1" and resid 33 and name HE1 )) 6.000 6.000 0.000 peak 751 spectrum 1 weight 0.11000E+01 volume 0.21402E-04 ppm1 9.308 ppm2 9.885 CV 1 ASSI { 755} (( segid "alk1" and resid 35 and name HN )) ( segid "alk1" and resid 36 and name HG1%) 3.600 1.700 1.700 peak 755 spectrum 1 weight 0.11000E+01 volume 0.63514E-03 ppm1 8.933 ppm2 1.141 CV 1 ASSI { 756} (( segid "alk1" and resid 35 and name HN )) (( segid "alk1" and resid 50 and name HB1 )) 4.600 4.600 1.400 peak 756 spectrum 1 weight 0.11000E+01 volume 0.30415E-03 ppm1 8.936 ppm2 1.758 CV 1 ASSI { 759} (( segid "alk1" and resid 35 and name HN )) (( segid "alk1" and resid 17 and name HB1 )) 3.700 1.700 1.700 peak 759 spectrum 1 weight 0.11000E+01 volume 0.10808E-02 ppm1 8.933 ppm2 2.961 CV 1 ASSI { 761} (( segid "alk1" and resid 35 and name HN )) (( segid "alk1" and resid 51 and name HA2 )) 5.000 3.100 1.000 peak 761 spectrum 1 weight 0.11000E+01 volume 0.12076E-03 ppm1 8.938 ppm2 3.865 CV 1 ASSI { 763} (( segid "alk1" and resid 35 and name HN )) (( segid "alk1" and resid 35 and name HB )) 3.900 1.900 1.900 peak 763 spectrum 1 weight 0.11000E+01 volume 0.51710E-03 ppm1 8.935 ppm2 4.023 CV 1 ASSI { 765} (( segid "alk1" and resid 35 and name HN )) (( segid "alk1" and resid 33 and name HA )) 6.000 5.000 0.000 peak 765 spectrum 1 weight 0.11000E+01 volume 0.46581E-04 ppm1 8.939 ppm2 4.628 CV 1 ASSI { 766} (( segid "alk1" and resid 35 and name HN )) (( segid "alk1" and resid 36 and name HA )) 4.100 2.100 1.900 peak 766 spectrum 1 weight 0.11000E+01 volume 0.31590E-03 ppm1 8.936 ppm2 4.744 CV 1 ASSI { 767} (( segid "alk1" and resid 35 and name HN )) (( segid "alk1" and resid 23 and name HD2 )) 4.700 2.800 1.300 peak 767 spectrum 1 weight 0.11000E+01 volume 0.26220E-03 ppm1 8.933 ppm2 7.071 CV 1 ASSI { 769} (( segid "alk1" and resid 35 and name HN )) (( segid "alk1" and resid 52 and name HN )) 3.900 1.900 1.900 peak 769 spectrum 1 weight 0.11000E+01 volume 0.51610E-03 ppm1 8.937 ppm2 8.326 CV 1 ASSI { 770} (( segid "alk1" and resid 35 and name HN )) (( segid "alk1" and resid 79 and name HN )) 4.900 3.000 1.100 peak 770 spectrum 1 weight 0.11000E+01 volume 0.32921E-03 ppm1 8.941 ppm2 8.447 CV 1 ASSI { 771} (( segid "alk1" and resid 35 and name HN )) (( segid "alk1" and resid 53 and name HN )) 3.500 1.500 1.500 peak 771 spectrum 1 weight 0.11000E+01 volume 0.62394E-03 ppm1 8.935 ppm2 8.686 CV 1 ASSI { 776} (( segid "alk1" and resid 35 and name HN )) (( segid "alk1" and resid 33 and name HE1 )) 6.000 6.000 0.000 peak 776 spectrum 1 weight 0.11000E+01 volume 0.30011E-04 ppm1 8.932 ppm2 9.878 CV 1 ASSI { 777} (( segid "alk1" and resid 36 and name HN )) ( segid "alk1" and resid 36 and name HG2%) 3.200 1.300 1.300 peak 777 spectrum 1 weight 0.11000E+01 volume 0.84446E-03 ppm1 8.836 ppm2 0.893 CV 1 ASSI { 778} (( segid "alk1" and resid 36 and name HN )) (( segid "alk1" and resid 36 and name HA )) 2.900 1.100 1.100 peak 778 spectrum 1 weight 0.11000E+01 volume 0.11576E-02 ppm1 8.842 ppm2 4.764 CV 1 ASSI { 779} (( segid "alk1" and resid 36 and name HN )) (( segid "alk1" and resid 70 and name HA )) 4.300 2.300 1.700 peak 779 spectrum 1 weight 0.11000E+01 volume 0.35720E-03 ppm1 8.848 ppm2 5.063 CV 1 ASSI { 781} (( segid "alk1" and resid 36 and name HN )) ( segid "alk1" and resid 82 and name HG2%) 6.000 6.000 0.000 peak 781 spectrum 1 weight 0.11000E+01 volume 0.40976E-04 ppm1 8.834 ppm2 0.215 CV 1 ASSI { 782} (( segid "alk1" and resid 36 and name HN )) ( segid "alk1" and resid 84 and name HD2%) 4.800 2.900 1.200 peak 782 spectrum 1 weight 0.11000E+01 volume 0.35116E-03 ppm1 8.841 ppm2 0.576 CV 1 ASSI { 783} (( segid "alk1" and resid 37 and name HN )) ( segid "alk1" and resid 82 and name HG2%) 6.000 5.900 0.000 peak 783 spectrum 1 weight 0.11000E+01 volume 0.46414E-04 ppm1 9.049 ppm2 0.197 CV 1 ASSI { 784} (( segid "alk1" and resid 37 and name HN )) ( segid "alk1" and resid 84 and name HD2%) 4.100 2.100 1.900 peak 784 spectrum 1 weight 0.11000E+01 volume 0.34218E-03 ppm1 9.046 ppm2 0.572 CV 1 ASSI { 788} (( segid "alk1" and resid 37 and name HN )) (( segid "alk1" and resid 49 and name HB2 )) 3.400 1.400 1.400 peak 788 spectrum 1 weight 0.11000E+01 volume 0.75026E-03 ppm1 9.046 ppm2 3.033 CV 1 ASSI { 789} (( segid "alk1" and resid 37 and name HN )) (( segid "alk1" and resid 49 and name HB1 )) 3.800 1.800 1.800 peak 789 spectrum 1 weight 0.11000E+01 volume 0.87748E-03 ppm1 9.044 ppm2 3.160 CV 1 ASSI { 790} (( segid "alk1" and resid 37 and name HN )) (( segid "alk1" and resid 35 and name HB )) 4.800 2.800 1.200 peak 790 spectrum 1 weight 0.11000E+01 volume 0.18926E-03 ppm1 9.043 ppm2 4.016 CV 1 ASSI { 792} (( segid "alk1" and resid 37 and name HN )) (( segid "alk1" and resid 38 and name HA )) 2.800 2.800 3.200 peak 792 spectrum 1 weight 0.11000E+01 volume 0.25344E-02 ppm1 9.048 ppm2 4.863 CV 1 ASSI { 794} (( segid "alk1" and resid 37 and name HN )) (( segid "alk1" and resid 49 and name HA )) 3.900 1.900 1.900 peak 794 spectrum 1 weight 0.11000E+01 volume 0.44365E-03 ppm1 9.047 ppm2 5.393 CV 1 ASSI { 795} (( segid "alk1" and resid 37 and name HN )) (( segid "alk1" and resid 69 and name HD21)) 6.000 6.000 0.000 peak 795 spectrum 1 weight 0.11000E+01 volume 0.38696E-04 ppm1 9.043 ppm2 6.865 CV 1 ASSI { 796} (( segid "alk1" and resid 37 and name HN )) (( segid "alk1" and resid 38 and name HN )) 3.800 1.800 1.800 peak 796 spectrum 1 weight 0.11000E+01 volume 0.68110E-03 ppm1 9.045 ppm2 8.443 CV 1 ASSI { 798} (( segid "alk1" and resid 37 and name HN )) (( segid "alk1" and resid 36 and name HN )) 3.800 1.800 1.800 peak 798 spectrum 1 weight 0.11000E+01 volume 0.75744E-03 ppm1 9.036 ppm2 8.849 CV 1 ASSI { 800} (( segid "alk1" and resid 37 and name HN )) (( segid "alk1" and resid 49 and name HN )) 2.800 1.000 1.000 peak 800 spectrum 1 weight 0.11000E+01 volume 0.21594E-02 ppm1 9.044 ppm2 9.196 CV 1 ASSI { 803} (( segid "alk1" and resid 38 and name HN )) (( segid "alk1" and resid 39 and name HN )) 4.100 2.100 1.900 peak 803 spectrum 1 weight 0.11000E+01 volume 0.46813E-03 ppm1 8.457 ppm2 8.873 CV 1 ASSI { 805} (( segid "alk1" and resid 38 and name HN )) (( segid "alk1" and resid 69 and name HB1 )) 3.500 1.600 1.600 peak 805 spectrum 1 weight 0.11000E+01 volume 0.53061E-03 ppm1 8.452 ppm2 2.833 CV 1 ASSI { 806} (( segid "alk1" and resid 38 and name HN )) (( segid "alk1" and resid 69 and name HB2 )) 3.500 1.500 1.500 peak 806 spectrum 1 weight 0.11000E+01 volume 0.84239E-03 ppm1 8.455 ppm2 2.960 CV 1 ASSI { 807} (( segid "alk1" and resid 38 and name HN )) (( segid "alk1" and resid 37 and name HB )) 3.400 1.400 1.400 peak 807 spectrum 1 weight 0.11000E+01 volume 0.92241E-03 ppm1 8.456 ppm2 1.838 CV 1 ASSI { 808} (( segid "alk1" and resid 38 and name HN )) ( segid "alk1" and resid 36 and name HG2%) 5.500 3.800 0.500 peak 808 spectrum 1 weight 0.11000E+01 volume 0.83357E-04 ppm1 8.445 ppm2 0.892 CV 1 ASSI { 809} (( segid "alk1" and resid 38 and name HN )) ( segid "alk1" and resid 84 and name HD2%) 4.000 2.000 2.000 peak 809 spectrum 1 weight 0.11000E+01 volume 0.44013E-03 ppm1 8.450 ppm2 0.575 CV 1 ASSI { 810} (( segid "alk1" and resid 39 and name HN )) ( segid "alk1" and resid 37 and name HG1%) 4.200 4.200 1.800 peak 810 spectrum 1 weight 0.11000E+01 volume 0.45773E-03 ppm1 8.868 ppm2 0.693 CV 1 ASSI { 812} (( segid "alk1" and resid 39 and name HN )) (( segid "alk1" and resid 47 and name HG2 )) 6.000 4.600 0.000 peak 812 spectrum 1 weight 0.11000E+01 volume 0.58814E-04 ppm1 8.871 ppm2 2.324 CV 1 OR { 812} (( segid "alk1" and resid 39 and name HN )) (( segid "alk1" and resid 47 and name HG1 )) ASSI { 814} (( segid "alk1" and resid 39 and name HN )) (( segid "alk1" and resid 46 and name HA )) 3.900 1.900 1.900 peak 814 spectrum 1 weight 0.11000E+01 volume 0.68395E-03 ppm1 8.871 ppm2 4.640 CV 1 ASSI { 815} (( segid "alk1" and resid 39 and name HN )) (( segid "alk1" and resid 40 and name HA )) 3.900 1.900 1.900 peak 815 spectrum 1 weight 0.11000E+01 volume 0.48673E-03 ppm1 8.869 ppm2 4.538 CV 1 ASSI { 816} (( segid "alk1" and resid 39 and name HN )) (( segid "alk1" and resid 40 and name HN )) 4.400 2.400 1.600 peak 816 spectrum 1 weight 0.11000E+01 volume 0.41844E-03 ppm1 8.863 ppm2 8.656 CV 1 ASSI { 817} (( segid "alk1" and resid 40 and name HN )) ( segid "alk1" and resid 68 and name HG2%) 5.300 3.500 0.700 peak 817 spectrum 1 weight 0.11000E+01 volume 0.98131E-04 ppm1 8.675 ppm2 0.953 CV 1 ASSI { 819} (( segid "alk1" and resid 40 and name HN )) (( segid "alk1" and resid 40 and name HD1 )) 4.300 2.300 1.700 peak 819 spectrum 1 weight 0.11000E+01 volume 0.28650E-03 ppm1 8.669 ppm2 3.098 CV 1 OR { 819} (( segid "alk1" and resid 40 and name HN )) (( segid "alk1" and resid 40 and name HD2 )) ASSI { 820} (( segid "alk1" and resid 40 and name HN )) (( segid "alk1" and resid 41 and name HN )) 3.900 1.900 1.900 peak 820 spectrum 1 weight 0.11000E+01 volume 0.57034E-03 ppm1 8.662 ppm2 8.464 CV 1 ASSI { 822} (( segid "alk1" and resid 40 and name HN )) (( segid "alk1" and resid 46 and name HA )) 3.600 1.600 1.600 peak 822 spectrum 1 weight 0.11000E+01 volume 0.78999E-03 ppm1 8.665 ppm2 4.642 CV 1 ASSI { 823} (( segid "alk1" and resid 48 and name HN )) ( segid "alk1" and resid 39 and name HG2%) 5.200 3.300 0.800 peak 823 spectrum 1 weight 0.11000E+01 volume 0.15222E-03 ppm1 8.746 ppm2 0.589 CV 1 ASSI { 826} (( segid "alk1" and resid 48 and name HN )) (( segid "alk1" and resid 49 and name HA )) 5.500 3.800 0.500 peak 826 spectrum 1 weight 0.11000E+01 volume 0.59625E-04 ppm1 8.733 ppm2 5.395 CV 1 ASSI { 827} (( segid "alk1" and resid 48 and name HN )) (( segid "alk1" and resid 38 and name HA )) 3.800 1.800 1.800 peak 827 spectrum 1 weight 0.11000E+01 volume 0.72720E-03 ppm1 8.749 ppm2 4.875 CV 1 ASSI { 828} (( segid "alk1" and resid 48 and name HN )) (( segid "alk1" and resid 49 and name HD2 )) 6.000 6.000 0.000 peak 828 spectrum 1 weight 0.10000E+01 volume 0.47698E-05 ppm1 8.741 ppm2 7.016 CV 1 ASSI { 829} (( segid "alk1" and resid 48 and name HN )) (( segid "alk1" and resid 49 and name HN )) 3.500 1.600 1.600 peak 829 spectrum 1 weight 0.11000E+01 volume 0.13393E-02 ppm1 8.749 ppm2 9.201 CV 1 ASSI { 832} (( segid "alk1" and resid 49 and name HN )) ( segid "alk1" and resid 36 and name HG2%) 4.100 2.100 1.900 peak 832 spectrum 1 weight 0.11000E+01 volume 0.62230E-03 ppm1 9.196 ppm2 0.894 CV 1 ASSI { 834} (( segid "alk1" and resid 49 and name HN )) (( segid "alk1" and resid 50 and name HA )) 2.600 2.600 3.400 peak 834 spectrum 1 weight 0.11000E+01 volume 0.50024E-02 ppm1 9.193 ppm2 5.198 CV 1 ASSI { 836} (( segid "alk1" and resid 49 and name HN )) (( segid "alk1" and resid 47 and name HA )) 4.700 2.800 1.300 peak 836 spectrum 1 weight 0.11000E+01 volume 0.31996E-03 ppm1 9.198 ppm2 4.594 CV 1 ASSI { 837} (( segid "alk1" and resid 49 and name HN )) (( segid "alk1" and resid 49 and name HD2 )) 3.800 1.800 1.800 peak 837 spectrum 1 weight 0.11000E+01 volume 0.50373E-03 ppm1 9.194 ppm2 7.015 CV 1 ASSI { 838} (( segid "alk1" and resid 49 and name HN )) (( segid "alk1" and resid 47 and name HN )) 4.000 2.000 2.000 peak 838 spectrum 1 weight 0.11000E+01 volume 0.75583E-04 ppm1 9.200 ppm2 8.544 CV 1 ASSI { 839} (( segid "alk1" and resid 49 and name HN )) (( segid "alk1" and resid 38 and name HN )) 5.600 4.000 0.400 peak 839 spectrum 1 weight 0.11000E+01 volume 0.57765E-04 ppm1 9.200 ppm2 8.432 CV 1 ASSI { 841} (( segid "alk1" and resid 49 and name HN )) (( segid "alk1" and resid 50 and name HN )) 3.600 1.600 1.600 peak 841 spectrum 1 weight 0.11000E+01 volume 0.11300E-02 ppm1 9.192 ppm2 8.862 CV 1 ASSI { 846} (( segid "alk1" and resid 51 and name HN )) ( segid "alk1" and resid 84 and name HD1%) 6.000 4.900 0.000 peak 846 spectrum 1 weight 0.11000E+01 volume 0.57185E-04 ppm1 8.212 ppm2 0.676 CV 1 ASSI { 847} (( segid "alk1" and resid 51 and name HN )) ( segid "alk1" and resid 36 and name HG2%) 5.900 4.400 0.100 peak 847 spectrum 1 weight 0.11000E+01 volume 0.87021E-04 ppm1 8.205 ppm2 0.899 CV 1 ASSI { 848} (( segid "alk1" and resid 51 and name HN )) ( segid "alk1" and resid 35 and name HG2%) 4.200 2.200 1.800 peak 848 spectrum 1 weight 0.11000E+01 volume 0.53491E-03 ppm1 8.210 ppm2 1.241 CV 1 ASSI { 849} (( segid "alk1" and resid 51 and name HN )) ( segid "alk1" and resid 36 and name HG1%) 3.900 1.900 1.900 peak 849 spectrum 1 weight 0.11000E+01 volume 0.42233E-03 ppm1 8.210 ppm2 1.135 CV 1 ASSI { 850} (( segid "alk1" and resid 51 and name HN )) (( segid "alk1" and resid 50 and name HG2 )) 4.100 2.100 1.900 peak 850 spectrum 1 weight 0.11000E+01 volume 0.56712E-03 ppm1 8.209 ppm2 1.504 CV 1 OR { 850} (( segid "alk1" and resid 51 and name HN )) (( segid "alk1" and resid 50 and name HG1 )) ASSI { 853} (( segid "alk1" and resid 51 and name HN )) (( segid "alk1" and resid 35 and name HN )) 3.000 1.100 1.100 peak 853 spectrum 1 weight 0.11000E+01 volume 0.13317E-02 ppm1 8.214 ppm2 8.950 CV 1 ASSI { 855} (( segid "alk1" and resid 51 and name HN )) (( segid "alk1" and resid 53 and name HN )) 3.700 3.700 2.300 peak 855 spectrum 1 weight 0.11000E+01 volume 0.94658E-03 ppm1 8.216 ppm2 8.695 CV 1 ASSI { 856} (( segid "alk1" and resid 52 and name HN )) (( segid "alk1" and resid 19 and name HA )) 4.900 3.100 1.100 peak 856 spectrum 1 weight 0.11000E+01 volume 0.29002E-03 ppm1 8.321 ppm2 5.044 CV 1 ASSI { 861} (( segid "alk1" and resid 52 and name HN )) (( segid "alk1" and resid 22 and name HG1 )) 4.200 2.200 1.800 peak 861 spectrum 1 weight 0.11000E+01 volume 0.56886E-04 ppm1 8.328 ppm2 1.732 CV 1 ASSI { 863} (( segid "alk1" and resid 52 and name HN )) (( segid "alk1" and resid 32 and name HN )) 6.000 6.000 0.000 peak 863 spectrum 1 weight 0.11000E+01 volume 0.66320E-04 ppm1 8.323 ppm2 7.722 CV 1 ASSI { 864} (( segid "alk1" and resid 53 and name HN )) (( segid "alk1" and resid 23 and name HD2 )) 4.900 3.000 1.100 peak 864 spectrum 1 weight 0.11000E+01 volume 0.17574E-03 ppm1 8.679 ppm2 7.062 CV 1 ASSI { 865} (( segid "alk1" and resid 53 and name HN )) (( segid "alk1" and resid 52 and name HN )) 4.100 2.100 1.900 peak 865 spectrum 1 weight 0.11000E+01 volume 0.46367E-03 ppm1 8.683 ppm2 8.319 CV 1 ASSI { 866} (( segid "alk1" and resid 53 and name HN )) (( segid "alk1" and resid 54 and name HN )) 3.500 1.500 1.500 peak 866 spectrum 1 weight 0.11000E+01 volume 0.48428E-03 ppm1 8.683 ppm2 8.112 CV 1 ASSI { 871} (( segid "alk1" and resid 53 and name HN )) (( segid "alk1" and resid 31 and name HA2 )) 4.100 2.100 1.900 peak 871 spectrum 1 weight 0.11000E+01 volume 0.56752E-03 ppm1 8.682 ppm2 3.327 CV 1 ASSI { 872} (( segid "alk1" and resid 67 and name HN )) ( segid "alk1" and resid 67 and name HD% ) 3.100 1.200 1.200 peak 872 spectrum 1 weight 0.11000E+01 volume 0.13208E-02 ppm1 8.133 ppm2 7.223 CV 1 ASSI { 873} (( segid "alk1" and resid 67 and name HN )) (( segid "alk1" and resid 66 and name HN )) 3.000 1.200 1.200 peak 873 spectrum 1 weight 0.11000E+01 volume 0.14433E-02 ppm1 8.137 ppm2 8.333 CV 1 ASSI { 874} (( segid "alk1" and resid 67 and name HN )) (( segid "alk1" and resid 68 and name HN )) 2.500 0.800 0.800 peak 874 spectrum 1 weight 0.11000E+01 volume 0.40738E-02 ppm1 8.132 ppm2 7.789 CV 1 ASSI { 876} (( segid "alk1" and resid 67 and name HN )) ( segid "alk1" and resid 86 and name HD1%) 4.900 3.000 1.100 peak 876 spectrum 1 weight 0.11000E+01 volume 0.14427E-03 ppm1 8.135 ppm2 0.777 CV 1 ASSI { 877} (( segid "alk1" and resid 67 and name HN )) ( segid "alk1" and resid 65 and name HG2%) 3.200 1.300 1.300 peak 877 spectrum 1 weight 0.11000E+01 volume 0.32192E-03 ppm1 8.134 ppm2 1.210 CV 1 ASSI { 878} (( segid "alk1" and resid 67 and name HN )) (( segid "alk1" and resid 68 and name HB )) 4.300 2.300 1.700 peak 878 spectrum 1 weight 0.11000E+01 volume 0.44972E-03 ppm1 8.135 ppm2 2.082 CV 1 ASSI { 881} (( segid "alk1" and resid 69 and name HN )) (( segid "alk1" and resid 68 and name HN )) 3.800 1.800 1.800 peak 881 spectrum 1 weight 0.11000E+01 volume 0.58683E-03 ppm1 8.461 ppm2 7.800 CV 1 ASSI { 882} (( segid "alk1" and resid 69 and name HN )) (( segid "alk1" and resid 70 and name HN )) 2.900 1.100 1.100 peak 882 spectrum 1 weight 0.11000E+01 volume 0.21110E-02 ppm1 8.455 ppm2 8.112 CV 1 ASSI { 883} (( segid "alk1" and resid 69 and name HN )) (( segid "alk1" and resid 38 and name HB2 )) 5.700 4.000 0.300 peak 883 spectrum 1 weight 0.11000E+01 volume 0.10852E-03 ppm1 8.459 ppm2 1.446 CV 1 ASSI { 884} (( segid "alk1" and resid 69 and name HN )) ( segid "alk1" and resid 86 and name HD1%) 3.700 1.700 1.700 peak 884 spectrum 1 weight 0.11000E+01 volume 0.64460E-03 ppm1 8.459 ppm2 0.765 CV 1 OR { 884} (( segid "alk1" and resid 69 and name HN )) ( segid "alk1" and resid 86 and name HD2%) ASSI { 885} (( segid "alk1" and resid 69 and name HN )) (( segid "alk1" and resid 38 and name HB1 )) 5.000 3.100 1.000 peak 885 spectrum 1 weight 0.11000E+01 volume 0.80383E-04 ppm1 8.462 ppm2 1.684 CV 1 ASSI { 886} (( segid "alk1" and resid 69 and name HN )) (( segid "alk1" and resid 70 and name HB1 )) 5.800 4.200 0.200 peak 886 spectrum 1 weight 0.11000E+01 volume 0.63745E-04 ppm1 8.457 ppm2 3.330 CV 1 ASSI { 887} (( segid "alk1" and resid 69 and name HN )) (( segid "alk1" and resid 69 and name HD21)) 5.900 4.400 0.100 peak 887 spectrum 1 weight 0.11000E+01 volume 0.59917E-04 ppm1 8.458 ppm2 6.900 CV 1 ASSI { 888} (( segid "alk1" and resid 69 and name HN )) (( segid "alk1" and resid 69 and name HD22)) 6.000 5.500 0.000 peak 888 spectrum 1 weight 0.11000E+01 volume 0.39578E-04 ppm1 8.450 ppm2 7.542 CV 1 ASSI { 889} (( segid "alk1" and resid 69 and name HN )) ( segid "alk1" and resid 39 and name HG2%) 4.100 2.100 1.900 peak 889 spectrum 1 weight 0.11000E+01 volume 0.64671E-04 ppm1 8.459 ppm2 0.566 CV 1 ASSI { 890} (( segid "alk1" and resid 71 and name HN )) (( segid "alk1" and resid 38 and name HN )) 3.000 3.000 3.000 peak 890 spectrum 1 weight 0.11000E+01 volume 0.42682E-03 ppm1 9.068 ppm2 8.448 CV 1 ASSI { 891} (( segid "alk1" and resid 71 and name HN )) (( segid "alk1" and resid 35 and name HA )) 4.500 2.500 1.500 peak 891 spectrum 1 weight 0.11000E+01 volume 0.36165E-03 ppm1 9.067 ppm2 5.918 CV 1 ASSI { 892} (( segid "alk1" and resid 71 and name HN )) (( segid "alk1" and resid 35 and name HB )) 4.300 2.300 1.700 peak 892 spectrum 1 weight 0.11000E+01 volume 0.22726E-03 ppm1 9.066 ppm2 4.021 CV 1 ASSI { 894} (( segid "alk1" and resid 71 and name HN )) ( segid "alk1" and resid 36 and name HG1%) 4.600 2.700 1.400 peak 894 spectrum 1 weight 0.11000E+01 volume 0.34030E-03 ppm1 9.071 ppm2 1.131 CV 1 ASSI { 895} (( segid "alk1" and resid 71 and name HN )) ( segid "alk1" and resid 35 and name HG2%) 4.600 2.700 1.400 peak 895 spectrum 1 weight 0.11000E+01 volume 0.24122E-03 ppm1 9.066 ppm2 1.240 CV 1 ASSI { 896} (( segid "alk1" and resid 71 and name HN )) (( segid "alk1" and resid 84 and name HG )) 4.900 3.100 1.100 peak 896 spectrum 1 weight 0.11000E+01 volume 0.23766E-03 ppm1 9.069 ppm2 1.425 CV 1 ASSI { 898} (( segid "alk1" and resid 71 and name HN )) (( segid "alk1" and resid 37 and name HB )) 4.300 2.300 1.700 peak 898 spectrum 1 weight 0.11000E+01 volume 0.54101E-04 ppm1 9.078 ppm2 1.837 CV 1 ASSI { 903} (( segid "alk1" and resid 72 and name HN )) ( segid "alk1" and resid 71 and name HD% ) 3.200 1.300 1.300 peak 903 spectrum 1 weight 0.11000E+01 volume 0.12234E-02 ppm1 7.903 ppm2 6.860 CV 1 ASSI { 904} (( segid "alk1" and resid 72 and name HN )) ( segid "alk1" and resid 71 and name HE% ) 4.200 2.200 1.800 peak 904 spectrum 1 weight 0.11000E+01 volume 0.33990E-03 ppm1 7.906 ppm2 6.577 CV 1 ASSI { 907} (( segid "alk1" and resid 73 and name HN )) ( segid "alk1" and resid 71 and name HE% ) 4.200 2.200 1.800 peak 907 spectrum 1 weight 0.11000E+01 volume 0.36236E-03 ppm1 8.847 ppm2 6.576 CV 1 ASSI { 908} (( segid "alk1" and resid 73 and name HN )) (( segid "alk1" and resid 74 and name HA )) 4.100 2.100 1.900 peak 908 spectrum 1 weight 0.11000E+01 volume 0.40336E-03 ppm1 8.847 ppm2 5.171 CV 1 ASSI { 909} (( segid "alk1" and resid 73 and name HN )) ( segid "alk1" and resid 35 and name HG2%) 4.200 2.200 1.800 peak 909 spectrum 1 weight 0.11000E+01 volume 0.43239E-03 ppm1 8.846 ppm2 1.233 CV 1 ASSI { 910} (( segid "alk1" and resid 73 and name HN )) (( segid "alk1" and resid 34 and name HN )) 2.800 0.900 0.900 peak 910 spectrum 1 weight 0.11000E+01 volume 0.20056E-02 ppm1 8.844 ppm2 9.311 CV 1 ASSI { 911} (( segid "alk1" and resid 73 and name HN )) (( segid "alk1" and resid 72 and name HN )) 4.400 2.400 1.600 peak 911 spectrum 1 weight 0.11000E+01 volume 0.37382E-03 ppm1 8.842 ppm2 7.892 CV 1 ASSI { 912} (( segid "alk1" and resid 73 and name HN )) (( segid "alk1" and resid 35 and name HB )) 4.300 2.300 1.700 peak 912 spectrum 1 weight 0.11000E+01 volume 0.54617E-04 ppm1 8.849 ppm2 4.025 CV 1 ASSI { 913} (( segid "alk1" and resid 73 and name HN )) (( segid "alk1" and resid 33 and name HA )) 4.700 2.700 1.300 peak 913 spectrum 1 weight 0.11000E+01 volume 0.42951E-03 ppm1 8.842 ppm2 4.647 CV 1 ASSI { 914} (( segid "alk1" and resid 73 and name HN )) ( segid "alk1" and resid 71 and name HD% ) 4.500 2.600 1.500 peak 914 spectrum 1 weight 0.11000E+01 volume 0.19772E-03 ppm1 8.840 ppm2 6.863 CV 1 ASSI { 917} (( segid "alk1" and resid 71 and name HN )) (( segid "alk1" and resid 72 and name HN )) 4.400 2.400 1.600 peak 917 spectrum 1 weight 0.11000E+01 volume 0.41268E-03 ppm1 9.069 ppm2 7.898 CV 1 ASSI { 920} (( segid "alk1" and resid 20 and name HN )) (( segid "alk1" and resid 50 and name HA )) 4.100 2.100 1.900 peak 920 spectrum 1 weight 0.11000E+01 volume 0.51918E-03 ppm1 9.104 ppm2 5.217 CV 1 ASSI { 924} (( segid "alk1" and resid 14 and name HN )) (( segid "alk1" and resid 15 and name HN )) 3.800 1.800 1.800 peak 924 spectrum 1 weight 0.11000E+01 volume 0.11704E-02 ppm1 8.020 ppm2 9.113 CV 1 ASSI { 925} (( segid "alk1" and resid 24 and name HN )) (( segid "alk1" and resid 22 and name HB2 )) 6.000 5.100 0.000 peak 925 spectrum 1 weight 0.11000E+01 volume 0.93551E-04 ppm1 7.303 ppm2 1.464 CV 1 ASSI { 926} (( segid "alk1" and resid 24 and name HN )) (( segid "alk1" and resid 22 and name HB1 )) 6.000 6.000 0.000 peak 926 spectrum 1 weight 0.11000E+01 volume 0.10382E-03 ppm1 7.306 ppm2 2.297 CV 1 ASSI { 927} (( segid "alk1" and resid 24 and name HN )) (( segid "alk1" and resid 19 and name HB1 )) 4.300 2.300 1.700 peak 927 spectrum 1 weight 0.11000E+01 volume 0.37768E-03 ppm1 7.303 ppm2 3.802 CV 1 ASSI { 930} (( segid "alk1" and resid 24 and name HN )) (( segid "alk1" and resid 51 and name HA1 )) 4.400 2.500 1.600 peak 930 spectrum 1 weight 0.11000E+01 volume 0.63940E-03 ppm1 7.303 ppm2 4.485 CV 1 ASSI { 931} (( segid "alk1" and resid 24 and name HN )) (( segid "alk1" and resid 23 and name HE1 )) 6.000 6.000 0.000 peak 931 spectrum 1 weight 0.10000E+01 volume 0.48472E-04 ppm1 7.309 ppm2 8.054 CV 1 ASSI { 932} (( segid "alk1" and resid 24 and name HN )) (( segid "alk1" and resid 23 and name HN )) 2.500 0.800 0.800 peak 932 spectrum 1 weight 0.11000E+01 volume 0.19593E-02 ppm1 7.303 ppm2 7.894 CV 1 ASSI { 941} (( segid "alk1" and resid 24 and name HN )) (( segid "alk1" and resid 22 and name HG1 )) 6.000 6.000 0.000 peak 941 spectrum 1 weight 0.11000E+01 volume 0.10183E-03 ppm1 7.302 ppm2 1.719 CV 1 ASSI { 943} (( segid "alk1" and resid 26 and name HN )) (( segid "alk1" and resid 25 and name HD1 )) 2.900 2.900 3.100 peak 943 spectrum 1 weight 0.11000E+01 volume 0.55800E-03 ppm1 7.768 ppm2 1.554 CV 1 OR { 943} (( segid "alk1" and resid 26 and name HN )) (( segid "alk1" and resid 25 and name HD2 )) ASSI { 945} (( segid "alk1" and resid 26 and name HN )) (( segid "alk1" and resid 27 and name HB2 )) 5.600 3.900 0.400 peak 945 spectrum 1 weight 0.11000E+01 volume 0.18410E-03 ppm1 7.770 ppm2 2.116 CV 1 ASSI { 949} (( segid "alk1" and resid 26 and name HN )) (( segid "alk1" and resid 27 and name HA )) 3.400 1.500 1.500 peak 949 spectrum 1 weight 0.11000E+01 volume 0.11540E-02 ppm1 7.770 ppm2 4.819 CV 1 ASSI { 950} (( segid "alk1" and resid 26 and name HN )) (( segid "alk1" and resid 19 and name HA )) 4.900 3.000 1.100 peak 950 spectrum 1 weight 0.11000E+01 volume 0.18593E-03 ppm1 7.773 ppm2 5.014 CV 1 ASSI { 953} (( segid "alk1" and resid 26 and name HN )) (( segid "alk1" and resid 24 and name HN )) 3.200 1.300 1.300 peak 953 spectrum 1 weight 0.11000E+01 volume 0.16679E-02 ppm1 7.770 ppm2 7.298 CV 1 ASSI { 954} (( segid "alk1" and resid 28 and name HN )) ( segid "alk1" and resid 16 and name HG2%) 4.200 2.200 1.800 peak 954 spectrum 1 weight 0.11000E+01 volume 0.51151E-03 ppm1 7.599 ppm2 1.167 CV 1 ASSI { 955} (( segid "alk1" and resid 28 and name HN )) (( segid "alk1" and resid 29 and name HB1 )) 4.900 3.000 1.100 peak 955 spectrum 1 weight 0.11000E+01 volume 0.72304E-04 ppm1 7.601 ppm2 2.797 CV 1 ASSI { 956} (( segid "alk1" and resid 28 and name HN )) (( segid "alk1" and resid 24 and name HB2 )) 5.700 4.000 0.300 peak 956 spectrum 1 weight 0.11000E+01 volume 0.49327E-04 ppm1 7.600 ppm2 3.053 CV 1 ASSI { 957} (( segid "alk1" and resid 28 and name HN )) (( segid "alk1" and resid 18 and name HA )) 4.800 2.900 1.200 peak 957 spectrum 1 weight 0.11000E+01 volume 0.34620E-03 ppm1 7.595 ppm2 4.002 CV 1 ASSI { 961} (( segid "alk1" and resid 29 and name HN )) ( segid "alk1" and resid 77 and name HD2%) 4.300 2.400 1.700 peak 961 spectrum 1 weight 0.11000E+01 volume 0.48204E-04 ppm1 8.875 ppm2 0.536 CV 1 ASSI { 962} (( segid "alk1" and resid 30 and name HN )) ( segid "alk1" and resid 16 and name HG2%) 5.500 3.800 0.500 peak 962 spectrum 1 weight 0.11000E+01 volume 0.78821E-04 ppm1 8.487 ppm2 1.162 CV 1 ASSI { 963} (( segid "alk1" and resid 31 and name HN )) ( segid "alk1" and resid 15 and name HG1%) 3.400 1.500 1.500 peak 963 spectrum 1 weight 0.11000E+01 volume 0.16330E-02 ppm1 8.867 ppm2 0.779 CV 1 ASSI { 965} (( segid "alk1" and resid 31 and name HN )) (( segid "alk1" and resid 29 and name HB2 )) 4.800 2.800 1.200 peak 965 spectrum 1 weight 0.11000E+01 volume 0.15674E-03 ppm1 8.865 ppm2 3.457 CV 1 ASSI { 966} (( segid "alk1" and resid 32 and name HN )) (( segid "alk1" and resid 52 and name HB1 )) 4.400 2.500 1.600 peak 966 spectrum 1 weight 0.11000E+01 volume 0.42314E-03 ppm1 7.740 ppm2 2.902 CV 1 ASSI { 967} (( segid "alk1" and resid 32 and name HN )) (( segid "alk1" and resid 54 and name HB2 )) 6.000 4.600 0.000 peak 967 spectrum 1 weight 0.11000E+01 volume 0.78412E-04 ppm1 7.735 ppm2 2.347 CV 1 ASSI { 970} (( segid "alk1" and resid 32 and name HN )) (( segid "alk1" and resid 33 and name HN )) 2.000 0.500 0.500 peak 970 spectrum 1 weight 0.11000E+01 volume 0.81171E-02 ppm1 7.734 ppm2 7.824 CV 1 ASSI { 973} (( segid "alk1" and resid 32 and name HN )) (( segid "alk1" and resid 31 and name HN )) 3.600 1.700 1.700 peak 973 spectrum 1 weight 0.11000E+01 volume 0.61546E-03 ppm1 7.734 ppm2 8.871 CV 1 ASSI { 974} (( segid "alk1" and resid 33 and name HN )) (( segid "alk1" and resid 14 and name HA )) 2.700 2.700 3.300 peak 974 spectrum 1 weight 0.11000E+01 volume 0.76253E-03 ppm1 7.833 ppm2 4.532 CV 1 ASSI { 976} (( segid "alk1" and resid 33 and name HN )) (( segid "alk1" and resid 31 and name HN )) 4.600 2.600 1.400 peak 976 spectrum 1 weight 0.11000E+01 volume 0.27900E-03 ppm1 7.830 ppm2 8.879 CV 1 ASSI { 977} (( segid "alk1" and resid 34 and name HN )) (( segid "alk1" and resid 76 and name HA )) 4.600 2.600 1.400 peak 977 spectrum 1 weight 0.11000E+01 volume 0.41590E-03 ppm1 9.306 ppm2 4.545 CV 1 ASSI { 979} (( segid "alk1" and resid 36 and name HN )) (( segid "alk1" and resid 71 and name HB1 )) 2.900 1.100 1.100 peak 979 spectrum 1 weight 0.11000E+01 volume 0.11949E-02 ppm1 8.843 ppm2 2.954 CV 1 ASSI { 980} (( segid "alk1" and resid 36 and name HN )) (( segid "alk1" and resid 71 and name HB2 )) 5.100 3.200 0.900 peak 980 spectrum 1 weight 0.11000E+01 volume 0.31351E-03 ppm1 8.841 ppm2 2.836 CV 1 ASSI { 981} (( segid "alk1" and resid 36 and name HN )) (( segid "alk1" and resid 71 and name HA )) 5.100 3.300 0.900 peak 981 spectrum 1 weight 0.11000E+01 volume 0.12799E-03 ppm1 8.837 ppm2 4.922 CV 1 ASSI { 982} (( segid "alk1" and resid 36 and name HN )) ( segid "alk1" and resid 71 and name HE% ) 6.000 4.700 0.000 peak 982 spectrum 1 weight 0.11000E+01 volume 0.73632E-04 ppm1 8.838 ppm2 6.567 CV 1 ASSI { 983} (( segid "alk1" and resid 36 and name HN )) (( segid "alk1" and resid 23 and name HE1 )) 5.600 4.000 0.400 peak 983 spectrum 1 weight 0.10000E+01 volume 0.60906E-04 ppm1 8.847 ppm2 8.085 CV 1 ASSI { 984} (( segid "alk1" and resid 36 and name HN )) (( segid "alk1" and resid 51 and name HN )) 5.300 3.500 0.700 peak 984 spectrum 1 weight 0.11000E+01 volume 0.81868E-04 ppm1 8.846 ppm2 8.204 CV 1 ASSI { 987} (( segid "alk1" and resid 40 and name HN )) (( segid "alk1" and resid 38 and name HA )) 6.000 5.500 0.000 peak 987 spectrum 1 weight 0.11000E+01 volume 0.42572E-04 ppm1 8.670 ppm2 4.891 CV 1 ASSI { 991} (( segid "alk1" and resid 41 and name HN )) (( segid "alk1" and resid 42 and name HA )) 3.900 1.900 1.900 peak 991 spectrum 1 weight 0.11000E+01 volume 0.57061E-03 ppm1 8.460 ppm2 4.038 CV 1 ASSI { 993} (( segid "alk1" and resid 44 and name HN )) (( segid "alk1" and resid 45 and name HB2 )) 4.600 2.700 1.400 peak 993 spectrum 1 weight 0.11000E+01 volume 0.29191E-03 ppm1 7.904 ppm2 3.227 CV 1 ASSI { 994} (( segid "alk1" and resid 44 and name HN )) (( segid "alk1" and resid 41 and name HG1 )) 4.400 2.500 1.600 peak 994 spectrum 1 weight 0.11000E+01 volume 0.29200E-03 ppm1 7.909 ppm2 2.163 CV 1 OR { 994} (( segid "alk1" and resid 44 and name HN )) (( segid "alk1" and resid 41 and name HG2 )) ASSI { 995} (( segid "alk1" and resid 44 and name HN )) (( segid "alk1" and resid 42 and name HG2 )) 3.300 3.300 2.700 peak 995 spectrum 1 weight 0.11000E+01 volume 0.27203E-03 ppm1 7.906 ppm2 2.251 CV 1 OR { 995} (( segid "alk1" and resid 44 and name HN )) (( segid "alk1" and resid 42 and name HG1 )) ASSI { 996} (( segid "alk1" and resid 47 and name HN )) (( segid "alk1" and resid 38 and name HG )) 3.600 1.600 1.600 peak 996 spectrum 1 weight 0.11000E+01 volume 0.86176E-03 ppm1 8.529 ppm2 1.396 CV 1 ASSI { 997} (( segid "alk1" and resid 74 and name HN )) (( segid "alk1" and resid 75 and name HN )) 2.600 0.800 0.800 peak 997 spectrum 1 weight 0.11000E+01 volume 0.28528E-02 ppm1 8.533 ppm2 7.643 CV 1 ASSI { 998} (( segid "alk1" and resid 47 and name HN )) (( segid "alk1" and resid 39 and name HN )) 2.600 0.900 0.900 peak 998 spectrum 1 weight 0.11000E+01 volume 0.27805E-02 ppm1 8.530 ppm2 8.883 CV 1 ASSI { 999} (( segid "alk1" and resid 45 and name HN )) (( segid "alk1" and resid 44 and name HG2 )) 3.800 1.800 1.800 peak 999 spectrum 1 weight 0.11000E+01 volume 0.51777E-03 ppm1 8.513 ppm2 1.520 CV 1 OR { 999} (( segid "alk1" and resid 45 and name HN )) (( segid "alk1" and resid 44 and name HG1 )) ASSI { 1000} (( segid "alk1" and resid 45 and name HN )) (( segid "alk1" and resid 44 and name HB2 )) 3.200 1.200 1.200 peak 1000 spectrum 1 weight 0.11000E+01 volume 0.14636E-02 ppm1 8.514 ppm2 1.688 CV 1 ASSI { 1001} (( segid "alk1" and resid 45 and name HN )) (( segid "alk1" and resid 45 and name HA )) 2.800 1.000 1.000 peak 1001 spectrum 1 weight 0.11000E+01 volume 0.26025E-02 ppm1 8.516 ppm2 4.847 CV 1 ASSI { 1002} (( segid "alk1" and resid 45 and name HN )) (( segid "alk1" and resid 44 and name HN )) 3.700 1.700 1.700 peak 1002 spectrum 1 weight 0.11000E+01 volume 0.48958E-03 ppm1 8.515 ppm2 7.903 CV 1 ASSI { 1003} (( segid "alk1" and resid 45 and name HN )) (( segid "alk1" and resid 46 and name HD1 )) 4.700 2.800 1.300 peak 1003 spectrum 1 weight 0.11000E+01 volume 0.94292E-04 ppm1 8.514 ppm2 3.849 CV 1 ASSI { 1004} (( segid "alk1" and resid 45 and name HN )) (( segid "alk1" and resid 47 and name HG2 )) 5.300 3.500 0.700 peak 1004 spectrum 1 weight 0.11000E+01 volume 0.72706E-04 ppm1 8.508 ppm2 2.346 CV 1 OR { 1004} (( segid "alk1" and resid 45 and name HN )) (( segid "alk1" and resid 47 and name HG1 )) ASSI { 1005} (( segid "alk1" and resid 50 and name HN )) (( segid "alk1" and resid 20 and name HA )) 4.400 4.400 1.600 peak 1005 spectrum 1 weight 0.11000E+01 volume 0.43671E-03 ppm1 8.849 ppm2 4.506 CV 1 ASSI { 1006} (( segid "alk1" and resid 50 and name HN )) (( segid "alk1" and resid 49 and name HD2 )) 4.800 2.900 1.200 peak 1006 spectrum 1 weight 0.11000E+01 volume 0.48167E-03 ppm1 8.846 ppm2 7.014 CV 1 ASSI { 1010} (( segid "alk1" and resid 52 and name HN )) (( segid "alk1" and resid 34 and name HA )) 4.600 2.700 1.400 peak 1010 spectrum 1 weight 0.11000E+01 volume 0.22225E-03 ppm1 8.320 ppm2 5.905 CV 1 ASSI { 1012} (( segid "alk1" and resid 52 and name HN )) (( segid "alk1" and resid 29 and name HB2 )) 4.500 2.600 1.500 peak 1012 spectrum 1 weight 0.11000E+01 volume 0.18920E-03 ppm1 8.323 ppm2 3.469 CV 1 ASSI { 1017} (( segid "alk1" and resid 53 and name HN )) (( segid "alk1" and resid 32 and name HN )) 3.700 1.800 1.800 peak 1017 spectrum 1 weight 0.11000E+01 volume 0.47114E-03 ppm1 8.686 ppm2 7.736 CV 1 ASSI { 1018} (( segid "alk1" and resid 53 and name HN )) ( segid "alk1" and resid 32 and name HB% ) 4.700 2.800 1.300 peak 1018 spectrum 1 weight 0.11000E+01 volume 0.21757E-03 ppm1 8.683 ppm2 1.491 CV 1 ASSI { 1021} (( segid "alk1" and resid 54 and name HN )) ( segid "alk1" and resid 32 and name HB% ) 5.300 3.500 0.700 peak 1021 spectrum 1 weight 0.11000E+01 volume 0.82331E-04 ppm1 8.104 ppm2 1.510 CV 1 ASSI { 1022} (( segid "alk1" and resid 54 and name HN )) (( segid "alk1" and resid 54 and name HB1 )) 4.100 2.100 1.900 peak 1022 spectrum 1 weight 0.11000E+01 volume 0.60453E-03 ppm1 8.106 ppm2 2.479 CV 1 ASSI { 1023} (( segid "alk1" and resid 54 and name HN )) (( segid "alk1" and resid 54 and name HB2 )) 3.200 1.200 1.200 peak 1023 spectrum 1 weight 0.11000E+01 volume 0.12499E-02 ppm1 8.109 ppm2 2.353 CV 1 ASSI { 1024} (( segid "alk1" and resid 54 and name HN )) (( segid "alk1" and resid 55 and name HA )) 3.600 3.600 2.400 peak 1024 spectrum 1 weight 0.11000E+01 volume 0.89324E-03 ppm1 8.115 ppm2 4.682 CV 1 ASSI { 1027} (( segid "alk1" and resid 54 and name HN )) (( segid "alk1" and resid 54 and name HD21)) 4.900 3.000 1.100 peak 1027 spectrum 1 weight 0.11000E+01 volume 0.80249E-04 ppm1 8.105 ppm2 6.978 CV 1 ASSI { 1028} (( segid "alk1" and resid 54 and name HN )) (( segid "alk1" and resid 54 and name HD22)) 5.700 4.000 0.300 peak 1028 spectrum 1 weight 0.11000E+01 volume 0.82274E-04 ppm1 8.110 ppm2 7.430 CV 1 ASSI { 1030} (( segid "alk1" and resid 58 and name HN )) (( segid "alk1" and resid 57 and name HB2 )) 4.400 2.400 1.600 peak 1030 spectrum 1 weight 0.11000E+01 volume 0.60718E-03 ppm1 9.760 ppm2 1.316 CV 1 ASSI { 1031} (( segid "alk1" and resid 58 and name HN )) (( segid "alk1" and resid 58 and name HG2 )) 3.400 1.400 1.400 peak 1031 spectrum 1 weight 0.11000E+01 volume 0.69595E-03 ppm1 9.763 ppm2 2.464 CV 1 ASSI { 1032} (( segid "alk1" and resid 58 and name HN )) (( segid "alk1" and resid 57 and name HA )) 3.900 1.900 1.900 peak 1032 spectrum 1 weight 0.11000E+01 volume 0.42418E-03 ppm1 9.759 ppm2 3.330 CV 1 ASSI { 1033} (( segid "alk1" and resid 58 and name HN )) (( segid "alk1" and resid 56 and name HB2 )) 6.000 5.000 0.000 peak 1033 spectrum 1 weight 0.11000E+01 volume 0.51127E-04 ppm1 9.758 ppm2 3.146 CV 1 ASSI { 1034} (( segid "alk1" and resid 58 and name HN )) (( segid "alk1" and resid 56 and name HA )) 3.600 1.600 1.600 peak 1034 spectrum 1 weight 0.11000E+01 volume 0.72750E-03 ppm1 9.758 ppm2 4.992 CV 1 ASSI { 1036} (( segid "alk1" and resid 59 and name HN )) (( segid "alk1" and resid 58 and name HN )) 2.900 1.000 1.000 peak 1036 spectrum 1 weight 0.11000E+01 volume 0.18169E-02 ppm1 7.344 ppm2 9.761 CV 1 ASSI { 1043} (( segid "alk1" and resid 59 and name HN )) (( segid "alk1" and resid 70 and name HD2 )) 5.000 5.000 1.000 peak 1043 spectrum 1 weight 0.11000E+01 volume 0.13388E-03 ppm1 7.346 ppm2 6.859 CV 1 ASSI { 1044} (( segid "alk1" and resid 59 and name HN )) (( segid "alk1" and resid 56 and name HA )) 5.000 3.200 1.000 peak 1044 spectrum 1 weight 0.11000E+01 volume 0.12095E-03 ppm1 7.345 ppm2 4.989 CV 1 ASSI { 1045} (( segid "alk1" and resid 59 and name HN )) (( segid "alk1" and resid 60 and name HA )) 6.000 4.800 0.000 peak 1045 spectrum 1 weight 0.11000E+01 volume 0.47004E-04 ppm1 7.345 ppm2 4.272 CV 1 ASSI { 1046} (( segid "alk1" and resid 59 and name HN )) (( segid "alk1" and resid 56 and name HB1 )) 3.700 1.700 1.700 peak 1046 spectrum 1 weight 0.11000E+01 volume 0.45488E-03 ppm1 7.344 ppm2 3.490 CV 1 ASSI { 1047} (( segid "alk1" and resid 59 and name HN )) (( segid "alk1" and resid 57 and name HA )) 3.600 1.600 1.600 peak 1047 spectrum 1 weight 0.11000E+01 volume 0.54376E-03 ppm1 7.345 ppm2 3.329 CV 1 ASSI { 1048} (( segid "alk1" and resid 59 and name HN )) (( segid "alk1" and resid 56 and name HB2 )) 4.000 2.000 2.000 peak 1048 spectrum 1 weight 0.11000E+01 volume 0.63531E-03 ppm1 7.344 ppm2 3.149 CV 1 ASSI { 1050} (( segid "alk1" and resid 59 and name HN )) (( segid "alk1" and resid 60 and name HB1 )) 3.900 1.900 1.900 peak 1050 spectrum 1 weight 0.11000E+01 volume 0.50085E-03 ppm1 7.348 ppm2 2.815 CV 1 OR { 1050} (( segid "alk1" and resid 59 and name HN )) (( segid "alk1" and resid 60 and name HB2 )) ASSI { 1051} (( segid "alk1" and resid 59 and name HN )) (( segid "alk1" and resid 58 and name HB2 )) 3.700 1.700 1.700 peak 1051 spectrum 1 weight 0.11000E+01 volume 0.80310E-03 ppm1 7.346 ppm2 1.977 CV 1 ASSI { 1053} (( segid "alk1" and resid 60 and name HN )) (( segid "alk1" and resid 70 and name HD2 )) 4.300 2.300 1.700 peak 1053 spectrum 1 weight 0.11000E+01 volume 0.28432E-03 ppm1 7.638 ppm2 6.887 CV 1 ASSI { 1054} (( segid "alk1" and resid 60 and name HN )) (( segid "alk1" and resid 58 and name HG1 )) 3.800 1.800 1.800 peak 1054 spectrum 1 weight 0.11000E+01 volume 0.34325E-03 ppm1 7.637 ppm2 2.091 CV 1 OR { 1054} (( segid "alk1" and resid 60 and name HN )) (( segid "alk1" and resid 58 and name HB1 )) ASSI { 1056} (( segid "alk1" and resid 60 and name HN )) (( segid "alk1" and resid 59 and name HG )) 3.900 1.900 1.900 peak 1056 spectrum 1 weight 0.11000E+01 volume 0.90534E-03 ppm1 7.636 ppm2 1.544 CV 1 ASSI { 1057} (( segid "alk1" and resid 60 and name HN )) (( segid "alk1" and resid 57 and name HG1 )) 4.700 2.700 1.300 peak 1057 spectrum 1 weight 0.11000E+01 volume 0.83685E-04 ppm1 7.637 ppm2 1.197 CV 1 ASSI { 1058} (( segid "alk1" and resid 60 and name HN )) (( segid "alk1" and resid 59 and name HB1 )) 3.900 1.900 1.900 peak 1058 spectrum 1 weight 0.11000E+01 volume 0.71664E-03 ppm1 7.635 ppm2 0.899 CV 1 ASSI { 1060} (( segid "alk1" and resid 60 and name HN )) (( segid "alk1" and resid 33 and name HZ2 )) 4.300 2.400 1.700 peak 1060 spectrum 1 weight 0.11000E+01 volume 0.26639E-03 ppm1 7.636 ppm2 7.024 CV 1 ASSI { 1063} (( segid "alk1" and resid 60 and name HN )) (( segid "alk1" and resid 59 and name HN )) 2.700 0.900 0.900 peak 1063 spectrum 1 weight 0.11000E+01 volume 0.25534E-02 ppm1 7.635 ppm2 7.350 CV 1 ASSI { 1065} (( segid "alk1" and resid 60 and name HN )) (( segid "alk1" and resid 61 and name HA )) 6.000 4.900 0.000 peak 1065 spectrum 1 weight 0.11000E+01 volume 0.77376E-04 ppm1 7.630 ppm2 4.509 CV 1 ASSI { 1066} (( segid "alk1" and resid 61 and name HN )) (( segid "alk1" and resid 62 and name HN )) 3.300 1.400 1.400 peak 1066 spectrum 1 weight 0.11000E+01 volume 0.93800E-03 ppm1 7.631 ppm2 8.134 CV 1 ASSI { 1067} (( segid "alk1" and resid 61 and name HN )) (( segid "alk1" and resid 60 and name HN )) 2.000 0.500 0.500 peak 1067 spectrum 1 weight 0.11000E+01 volume 0.14006E-01 ppm1 7.630 ppm2 7.631 CV 1 ASSI { 1070} (( segid "alk1" and resid 61 and name HN )) (( segid "alk1" and resid 60 and name HB2 )) 3.400 1.400 1.400 peak 1070 spectrum 1 weight 0.11000E+01 volume 0.13747E-02 ppm1 7.631 ppm2 2.815 CV 1 OR { 1070} (( segid "alk1" and resid 61 and name HN )) (( segid "alk1" and resid 60 and name HB1 )) ASSI { 1072} (( segid "alk1" and resid 62 and name HN )) (( segid "alk1" and resid 61 and name HG2 )) 3.800 1.800 1.800 peak 1072 spectrum 1 weight 0.11000E+01 volume 0.56618E-03 ppm1 8.139 ppm2 1.594 CV 1 OR { 1072} (( segid "alk1" and resid 62 and name HN )) (( segid "alk1" and resid 61 and name HG1 )) ASSI { 1073} (( segid "alk1" and resid 62 and name HN )) ( segid "alk1" and resid 68 and name HG2%) 5.000 3.100 1.000 peak 1073 spectrum 1 weight 0.11000E+01 volume 0.69123E-04 ppm1 8.140 ppm2 0.979 CV 1 OR { 1073} (( segid "alk1" and resid 62 and name HN )) ( segid "alk1" and resid 68 and name HG1%) ASSI { 1074} (( segid "alk1" and resid 62 and name HN )) (( segid "alk1" and resid 61 and name HB1 )) 3.400 3.400 2.600 peak 1074 spectrum 1 weight 0.11000E+01 volume 0.10645E-02 ppm1 8.141 ppm2 1.746 CV 1 ASSI { 1077} (( segid "alk1" and resid 63 and name HN )) ( segid "alk1" and resid 68 and name HG2%) 4.200 2.200 1.800 peak 1077 spectrum 1 weight 0.11000E+01 volume 0.29826E-03 ppm1 8.216 ppm2 0.963 CV 1 OR { 1077} (( segid "alk1" and resid 63 and name HN )) ( segid "alk1" and resid 68 and name HG1%) ASSI { 1078} (( segid "alk1" and resid 63 and name HN )) ( segid "alk1" and resid 65 and name HG2%) 5.400 3.600 0.600 peak 1078 spectrum 1 weight 0.11000E+01 volume 0.76558E-04 ppm1 8.220 ppm2 1.213 CV 1 ASSI { 1079} (( segid "alk1" and resid 63 and name HN )) (( segid "alk1" and resid 63 and name HD2 )) 4.500 2.500 1.500 peak 1079 spectrum 1 weight 0.11000E+01 volume 0.32423E-03 ppm1 8.220 ppm2 3.210 CV 1 OR { 1079} (( segid "alk1" and resid 63 and name HN )) (( segid "alk1" and resid 63 and name HD1 )) ASSI { 1080} (( segid "alk1" and resid 63 and name HN )) (( segid "alk1" and resid 64 and name HD1 )) 4.500 2.600 1.500 peak 1080 spectrum 1 weight 0.11000E+01 volume 0.44318E-03 ppm1 8.217 ppm2 3.703 CV 1 ASSI { 1082} (( segid "alk1" and resid 65 and name HN )) ( segid "alk1" and resid 68 and name HG2%) 3.800 1.800 1.800 peak 1082 spectrum 1 weight 0.11000E+01 volume 0.54225E-03 ppm1 7.942 ppm2 0.966 CV 1 OR { 1082} (( segid "alk1" and resid 65 and name HN )) ( segid "alk1" and resid 68 and name HG1%) ASSI { 1083} (( segid "alk1" and resid 65 and name HN )) (( segid "alk1" and resid 63 and name HB2 )) 4.000 2.000 2.000 peak 1083 spectrum 1 weight 0.11000E+01 volume 0.35642E-03 ppm1 7.940 ppm2 1.703 CV 1 ASSI { 1084} (( segid "alk1" and resid 65 and name HN )) (( segid "alk1" and resid 63 and name HB1 )) 3.800 1.800 1.800 peak 1084 spectrum 1 weight 0.11000E+01 volume 0.41472E-03 ppm1 7.943 ppm2 1.873 CV 1 ASSI { 1085} (( segid "alk1" and resid 65 and name HN )) (( segid "alk1" and resid 64 and name HB1 )) 3.900 1.900 1.900 peak 1085 spectrum 1 weight 0.11000E+01 volume 0.84171E-03 ppm1 7.941 ppm2 2.163 CV 1 ASSI { 1086} (( segid "alk1" and resid 65 and name HN )) (( segid "alk1" and resid 68 and name HB )) 3.200 3.200 2.800 peak 1086 spectrum 1 weight 0.11000E+01 volume 0.13745E-02 ppm1 7.941 ppm2 2.062 CV 1 ASSI { 1087} (( segid "alk1" and resid 65 and name HN )) (( segid "alk1" and resid 64 and name HD1 )) 5.700 4.100 0.300 peak 1087 spectrum 1 weight 0.11000E+01 volume 0.64235E-04 ppm1 7.946 ppm2 3.704 CV 1 ASSI { 1088} (( segid "alk1" and resid 65 and name HN )) (( segid "alk1" and resid 64 and name HD2 )) 5.200 3.400 0.800 peak 1088 spectrum 1 weight 0.11000E+01 volume 0.62938E-04 ppm1 7.944 ppm2 3.833 CV 1 ASSI { 1090} (( segid "alk1" and resid 65 and name HN )) (( segid "alk1" and resid 68 and name HN )) 3.800 1.800 1.800 peak 1090 spectrum 1 weight 0.11000E+01 volume 0.55777E-03 ppm1 7.939 ppm2 7.803 CV 1 ASSI { 1091} (( segid "alk1" and resid 65 and name HN )) (( segid "alk1" and resid 66 and name HN )) 3.200 1.300 1.300 peak 1091 spectrum 1 weight 0.11000E+01 volume 0.12821E-02 ppm1 7.941 ppm2 8.337 CV 1 ASSI { 1092} (( segid "alk1" and resid 65 and name HN )) ( segid "alk1" and resid 67 and name HE% ) 5.700 4.100 0.300 peak 1092 spectrum 1 weight 0.11000E+01 volume 0.50282E-04 ppm1 7.943 ppm2 7.310 CV 1 ASSI { 1099} (( segid "alk1" and resid 68 and name HN )) (( segid "alk1" and resid 66 and name HB1 )) 3.400 1.400 1.400 peak 1099 spectrum 1 weight 0.11000E+01 volume 0.15822E-02 ppm1 7.792 ppm2 1.802 CV 1 ASSI { 1101} (( segid "alk1" and resid 80 and name HN )) ( segid "alk1" and resid 77 and name HD2%) 4.300 2.300 1.700 peak 1101 spectrum 1 weight 0.11000E+01 volume 0.63420E-03 ppm1 7.771 ppm2 0.546 CV 1 ASSI { 1102} (( segid "alk1" and resid 80 and name HN )) ( segid "alk1" and resid 77 and name HD1%) 5.700 4.000 0.300 peak 1102 spectrum 1 weight 0.11000E+01 volume 0.14247E-03 ppm1 7.770 ppm2 0.642 CV 1 ASSI { 1103} (( segid "alk1" and resid 68 and name HN )) ( segid "alk1" and resid 65 and name HG2%) 2.600 2.600 3.400 peak 1103 spectrum 1 weight 0.11000E+01 volume 0.10661E-02 ppm1 7.772 ppm2 1.217 CV 1 ASSI { 1104} (( segid "alk1" and resid 68 and name HN )) (( segid "alk1" and resid 66 and name HG1 )) 2.800 2.800 3.200 peak 1104 spectrum 1 weight 0.11000E+01 volume 0.66085E-03 ppm1 7.788 ppm2 1.958 CV 1 OR { 1104} (( segid "alk1" and resid 68 and name HN )) (( segid "alk1" and resid 66 and name HG2 )) ASSI { 1105} (( segid "alk1" and resid 80 and name HN )) (( segid "alk1" and resid 82 and name HN )) 4.500 2.500 1.500 peak 1105 spectrum 1 weight 0.11000E+01 volume 0.28539E-03 ppm1 7.769 ppm2 6.687 CV 1 ASSI { 1107} (( segid "alk1" and resid 68 and name HN )) (( segid "alk1" and resid 66 and name HN )) 2.900 1.000 1.000 peak 1107 spectrum 1 weight 0.11000E+01 volume 0.25586E-02 ppm1 7.790 ppm2 8.335 CV 1 ASSI { 1108} (( segid "alk1" and resid 80 and name HN )) (( segid "alk1" and resid 81 and name HN )) 2.300 0.600 0.600 peak 1108 spectrum 1 weight 0.11000E+01 volume 0.78878E-02 ppm1 7.769 ppm2 8.439 CV 1 ASSI { 1109} (( segid "alk1" and resid 80 and name HN )) (( segid "alk1" and resid 18 and name HN )) 3.800 1.800 1.800 peak 1109 spectrum 1 weight 0.11000E+01 volume 0.40373E-03 ppm1 7.772 ppm2 8.930 CV 1 ASSI { 1110} (( segid "alk1" and resid 69 and name HN )) (( segid "alk1" and resid 70 and name HA )) 5.700 4.000 0.300 peak 1110 spectrum 1 weight 0.11000E+01 volume 0.60514E-04 ppm1 8.462 ppm2 5.038 CV 1 ASSI { 1111} (( segid "alk1" and resid 69 and name HN )) ( segid "alk1" and resid 36 and name HG2%) 4.000 2.000 2.000 peak 1111 spectrum 1 weight 0.11000E+01 volume 0.51613E-03 ppm1 8.459 ppm2 0.879 CV 1 ASSI { 1116} (( segid "alk1" and resid 75 and name HN )) (( segid "alk1" and resid 76 and name HN )) 3.600 1.600 1.600 peak 1116 spectrum 1 weight 0.11000E+01 volume 0.11625E-02 ppm1 7.644 ppm2 8.294 CV 1 ASSI { 1118} (( segid "alk1" and resid 40 and name HN )) ( segid "alk1" and resid 67 and name HD% ) 5.400 3.700 0.600 peak 1118 spectrum 1 weight 0.11000E+01 volume 0.56038E-04 ppm1 8.669 ppm2 7.219 CV 1 ASSI { 1119} (( segid "alk1" and resid 97 and name HN )) (( segid "alk1" and resid 96 and name HB2 )) 4.700 2.700 1.300 peak 1119 spectrum 1 weight 0.11000E+01 volume 0.12462E-03 ppm1 8.475 ppm2 2.274 CV 1 ASSI { 1120} (( segid "alk1" and resid 79 and name HN )) ( segid "alk1" and resid 77 and name HD2%) 4.500 2.500 1.500 peak 1120 spectrum 1 weight 0.11000E+01 volume 0.57064E-03 ppm1 8.434 ppm2 0.541 CV 1 ASSI { 1121} (( segid "alk1" and resid 79 and name HN )) ( segid "alk1" and resid 82 and name HG1%) 4.600 2.700 1.400 peak 1121 spectrum 1 weight 0.11000E+01 volume 0.39035E-03 ppm1 8.435 ppm2 0.805 CV 1 ASSI { 1122} (( segid "alk1" and resid 79 and name HN )) ( segid "alk1" and resid 36 and name HG1%) 4.000 2.000 2.000 peak 1122 spectrum 1 weight 0.11000E+01 volume 0.73799E-03 ppm1 8.434 ppm2 1.137 CV 1 ASSI { 1123} (( segid "alk1" and resid 79 and name HN )) (( segid "alk1" and resid 77 and name HB1 )) 4.300 2.400 1.700 peak 1123 spectrum 1 weight 0.11000E+01 volume 0.45901E-03 ppm1 8.429 ppm2 1.592 CV 1 OR { 1123} (( segid "alk1" and resid 79 and name HN )) (( segid "alk1" and resid 77 and name HB2 )) ASSI { 1124} (( segid "alk1" and resid 79 and name HN )) (( segid "alk1" and resid 77 and name HN )) 4.300 2.300 1.700 peak 1124 spectrum 1 weight 0.11000E+01 volume 0.44908E-03 ppm1 8.434 ppm2 9.772 CV 1 ASSI { 1125} (( segid "alk1" and resid 79 and name HN )) (( segid "alk1" and resid 18 and name HN )) 3.300 1.300 1.300 peak 1125 spectrum 1 weight 0.11000E+01 volume 0.11558E-02 ppm1 8.435 ppm2 8.929 CV 1 ASSI { 1126} (( segid "alk1" and resid 79 and name HN )) (( segid "alk1" and resid 80 and name HN )) 2.400 0.700 0.700 peak 1126 spectrum 1 weight 0.11000E+01 volume 0.42166E-02 ppm1 8.433 ppm2 7.769 CV 1 ASSI { 1127} (( segid "alk1" and resid 90 and name HN )) ( segid "alk1" and resid 88 and name HB% ) 3.000 3.000 3.000 peak 1127 spectrum 1 weight 0.11000E+01 volume 0.45334E-03 ppm1 8.216 ppm2 1.347 CV 1 ASSI { 1128} (( segid "alk1" and resid 90 and name HN )) (( segid "alk1" and resid 92 and name HD2 )) 4.500 2.500 1.500 peak 1128 spectrum 1 weight 0.11000E+01 volume 0.33705E-03 ppm1 8.220 ppm2 3.615 CV 1 ASSI { 1129} (( segid "alk1" and resid 90 and name HN )) (( segid "alk1" and resid 92 and name HD1 )) 3.400 1.500 1.500 peak 1129 spectrum 1 weight 0.11000E+01 volume 0.65214E-03 ppm1 8.220 ppm2 3.787 CV 1 ASSI { 1131} (( segid "alk1" and resid 85 and name HN )) (( segid "alk1" and resid 83 and name HA )) 4.100 2.100 1.900 peak 1131 spectrum 1 weight 0.11000E+01 volume 0.49159E-03 ppm1 7.824 ppm2 4.850 CV 1 ASSI { 1133} (( segid "alk1" and resid 85 and name HN )) (( segid "alk1" and resid 84 and name HN )) 2.800 1.000 1.000 peak 1133 spectrum 1 weight 0.11000E+01 volume 0.26271E-02 ppm1 7.823 ppm2 9.620 CV 1 ASSI { 1134} (( segid "alk1" and resid 85 and name HN )) ( segid "alk1" and resid 36 and name HG2%) 3.600 1.600 1.600 peak 1134 spectrum 1 weight 0.11000E+01 volume 0.14842E-03 ppm1 7.818 ppm2 0.899 CV 1 ASSI { 1136} (( segid "alk1" and resid 85 and name HN )) (( segid "alk1" and resid 83 and name HB1 )) 4.400 2.500 1.600 peak 1136 spectrum 1 weight 0.11000E+01 volume 0.19142E-03 ppm1 7.822 ppm2 3.607 CV 1 OR { 1136} (( segid "alk1" and resid 85 and name HN )) (( segid "alk1" and resid 83 and name HB2 )) ASSI { 1137} (( segid "alk1" and resid 84 and name HN )) ( segid "alk1" and resid 82 and name HG2%) 5.400 3.700 0.600 peak 1137 spectrum 1 weight 0.11000E+01 volume 0.73377E-04 ppm1 9.621 ppm2 0.221 CV 1 ASSI { 1140} (( segid "alk1" and resid 84 and name HN )) (( segid "alk1" and resid 83 and name HB1 )) 4.000 2.000 2.000 peak 1140 spectrum 1 weight 0.11000E+01 volume 0.72612E-03 ppm1 9.622 ppm2 3.618 CV 1 ASSI { 1141} (( segid "alk1" and resid 84 and name HN )) (( segid "alk1" and resid 85 and name HA )) 6.000 4.800 0.000 peak 1141 spectrum 1 weight 0.11000E+01 volume 0.38452E-04 ppm1 9.626 ppm2 3.948 CV 1 ASSI { 1142} (( segid "alk1" and resid 84 and name HN )) ( segid "alk1" and resid 84 and name HD2%) 3.800 1.800 1.800 peak 1142 spectrum 1 weight 0.11000E+01 volume 0.48130E-03 ppm1 9.621 ppm2 0.571 CV 1 ASSI { 1143} (( segid "alk1" and resid 84 and name HN )) ( segid "alk1" and resid 36 and name HG2%) 4.000 2.000 2.000 peak 1143 spectrum 1 weight 0.11000E+01 volume 0.43869E-03 ppm1 9.622 ppm2 0.900 CV 1 ASSI { 1144} (( segid "alk1" and resid 84 and name HN )) ( segid "alk1" and resid 84 and name HD1%) 4.000 2.000 2.000 peak 1144 spectrum 1 weight 0.11000E+01 volume 0.47215E-03 ppm1 9.624 ppm2 0.692 CV 1 ASSI { 1145} (( segid "alk1" and resid 84 and name HN )) (( segid "alk1" and resid 48 and name HG2 )) 3.900 1.900 1.900 peak 1145 spectrum 1 weight 0.11000E+01 volume 0.41476E-03 ppm1 9.627 ppm2 2.029 CV 1 OR { 1145} (( segid "alk1" and resid 84 and name HN )) (( segid "alk1" and resid 48 and name HG1 )) ASSI { 1146} (( segid "alk1" and resid 84 and name HN )) (( segid "alk1" and resid 36 and name HB )) 4.100 2.100 1.900 peak 1146 spectrum 1 weight 0.11000E+01 volume 0.47285E-03 ppm1 9.621 ppm2 1.937 CV 1 ASSI { 1147} (( segid "alk1" and resid 85 and name HN )) (( segid "alk1" and resid 87 and name HB1 )) 4.500 4.500 1.500 peak 1147 spectrum 1 weight 0.11000E+01 volume 0.22170E-03 ppm1 7.818 ppm2 1.825 CV 1 ASSI { 1148} (( segid "alk1" and resid 82 and name HN )) (( segid "alk1" and resid 81 and name HB2 )) 4.100 2.100 1.900 peak 1148 spectrum 1 weight 0.11000E+01 volume 0.48093E-03 ppm1 6.693 ppm2 2.600 CV 1 ASSI { 1149} (( segid "alk1" and resid 82 and name HN )) (( segid "alk1" and resid 81 and name HB1 )) 4.300 2.300 1.700 peak 1149 spectrum 1 weight 0.11000E+01 volume 0.45505E-03 ppm1 6.694 ppm2 2.746 CV 1 ASSI { 1150} (( segid "alk1" and resid 82 and name HN )) (( segid "alk1" and resid 50 and name HD1 )) 3.400 1.400 1.400 peak 1150 spectrum 1 weight 0.11000E+01 volume 0.88067E-03 ppm1 6.694 ppm2 3.211 CV 1 ASSI { 1151} (( segid "alk1" and resid 82 and name HN )) (( segid "alk1" and resid 80 and name HA )) 3.900 1.900 1.900 peak 1151 spectrum 1 weight 0.11000E+01 volume 0.38167E-03 ppm1 6.692 ppm2 4.168 CV 1 ASSI { 1152} (( segid "alk1" and resid 82 and name HN )) (( segid "alk1" and resid 81 and name HN )) 2.700 0.900 0.900 peak 1152 spectrum 1 weight 0.11000E+01 volume 0.27570E-02 ppm1 6.694 ppm2 8.454 CV 1 ASSI { 1153} (( segid "alk1" and resid 81 and name HN )) ( segid "alk1" and resid 82 and name HG1%) 4.500 2.600 1.500 peak 1153 spectrum 1 weight 0.11000E+01 volume 0.34154E-03 ppm1 8.458 ppm2 0.807 CV 1 ASSI { 1154} (( segid "alk1" and resid 81 and name HN )) ( segid "alk1" and resid 18 and name HG2%) 4.300 2.300 1.700 peak 1154 spectrum 1 weight 0.11000E+01 volume 0.50359E-04 ppm1 8.459 ppm2 1.222 CV 1 ASSI { 1155} (( segid "alk1" and resid 81 and name HN )) (( segid "alk1" and resid 82 and name HB )) 4.500 2.600 1.500 peak 1155 spectrum 1 weight 0.11000E+01 volume 0.18120E-03 ppm1 8.453 ppm2 1.535 CV 1 ASSI { 1159} (( segid "alk1" and resid 81 and name HN )) (( segid "alk1" and resid 80 and name HB2 )) 4.500 2.500 1.500 peak 1159 spectrum 1 weight 0.11000E+01 volume 0.52364E-03 ppm1 8.454 ppm2 3.392 CV 1 ASSI { 1162} (( segid "alk1" and resid 79 and name HN )) (( segid "alk1" and resid 17 and name HA )) 3.900 1.900 1.900 peak 1162 spectrum 1 weight 0.11000E+01 volume 0.52039E-03 ppm1 8.431 ppm2 4.890 CV 1 ASSI { 1163} (( segid "alk1" and resid 78 and name HN )) (( segid "alk1" and resid 77 and name HN )) 2.700 0.900 0.900 peak 1163 spectrum 1 weight 0.11000E+01 volume 0.20935E-02 ppm1 8.486 ppm2 9.772 CV 1 ASSI { 1164} (( segid "alk1" and resid 78 and name HN )) (( segid "alk1" and resid 75 and name HN )) 4.100 2.100 1.900 peak 1164 spectrum 1 weight 0.11000E+01 volume 0.48727E-03 ppm1 8.486 ppm2 7.643 CV 1 ASSI { 1165} (( segid "alk1" and resid 78 and name HN )) (( segid "alk1" and resid 17 and name HA )) 4.200 2.200 1.800 peak 1165 spectrum 1 weight 0.11000E+01 volume 0.44174E-03 ppm1 8.484 ppm2 4.886 CV 1 ASSI { 1167} (( segid "alk1" and resid 78 and name HN )) (( segid "alk1" and resid 80 and name HA )) 5.400 3.600 0.600 peak 1167 spectrum 1 weight 0.11000E+01 volume 0.13842E-03 ppm1 8.475 ppm2 4.155 CV 1 ASSI { 1168} (( segid "alk1" and resid 78 and name HN )) (( segid "alk1" and resid 77 and name HB2 )) 3.700 1.800 1.800 peak 1168 spectrum 1 weight 0.11000E+01 volume 0.65780E-03 ppm1 8.485 ppm2 1.592 CV 1 OR { 1168} (( segid "alk1" and resid 78 and name HN )) (( segid "alk1" and resid 77 and name HB1 )) ASSI { 1169} (( segid "alk1" and resid 78 and name HN )) ( segid "alk1" and resid 15 and name HG1%) 4.100 2.100 1.900 peak 1169 spectrum 1 weight 0.11000E+01 volume 0.49776E-03 ppm1 8.485 ppm2 0.791 CV 1 ASSI { 1170} (( segid "alk1" and resid 78 and name HN )) ( segid "alk1" and resid 77 and name HD1%) 5.400 3.700 0.600 peak 1170 spectrum 1 weight 0.11000E+01 volume 0.19522E-03 ppm1 8.485 ppm2 0.635 CV 1 ASSI { 1171} (( segid "alk1" and resid 78 and name HN )) ( segid "alk1" and resid 16 and name HG2%) 4.000 2.000 2.000 peak 1171 spectrum 1 weight 0.11000E+01 volume 0.76112E-04 ppm1 8.490 ppm2 1.162 CV 1 ASSI { 1172} (( segid "alk1" and resid 78 and name HN )) (( segid "alk1" and resid 34 and name HB1 )) 4.100 2.100 1.900 peak 1172 spectrum 1 weight 0.11000E+01 volume 0.47087E-03 ppm1 8.483 ppm2 3.189 CV 1 ASSI { 1174} (( segid "alk1" and resid 77 and name HN )) ( segid "alk1" and resid 16 and name HG2%) 4.000 2.000 2.000 peak 1174 spectrum 1 weight 0.11000E+01 volume 0.49377E-03 ppm1 9.771 ppm2 1.165 CV 1 ASSI { 1175} (( segid "alk1" and resid 77 and name HN )) (( segid "alk1" and resid 16 and name HB )) 3.900 1.900 1.900 peak 1175 spectrum 1 weight 0.11000E+01 volume 0.48904E-03 ppm1 9.772 ppm2 4.146 CV 1 ASSI { 1176} (( segid "alk1" and resid 77 and name HN )) (( segid "alk1" and resid 17 and name HN )) 4.700 2.800 1.300 peak 1176 spectrum 1 weight 0.11000E+01 volume 0.17974E-03 ppm1 9.775 ppm2 9.139 CV 1 ASSI { 1177} (( segid "alk1" and resid 77 and name HN )) (( segid "alk1" and resid 78 and name HB2 )) 4.800 2.800 1.200 peak 1177 spectrum 1 weight 0.11000E+01 volume 0.27758E-03 ppm1 9.776 ppm2 3.391 CV 1 ASSI { 1178} (( segid "alk1" and resid 76 and name HN )) (( segid "alk1" and resid 76 and name HD2 )) 3.900 1.900 1.900 peak 1178 spectrum 1 weight 0.11000E+01 volume 0.41429E-03 ppm1 8.304 ppm2 7.033 CV 1 ASSI { 1180} (( segid "alk1" and resid 76 and name HN )) (( segid "alk1" and resid 16 and name HN )) 4.800 2.900 1.200 peak 1180 spectrum 1 weight 0.11000E+01 volume 0.25919E-03 ppm1 8.299 ppm2 8.909 CV 1 ASSI { 1182} (( segid "alk1" and resid 76 and name HN )) (( segid "alk1" and resid 15 and name HB )) 5.800 4.200 0.200 peak 1182 spectrum 1 weight 0.11000E+01 volume 0.13339E-03 ppm1 8.307 ppm2 1.848 CV 1 ASSI { 1183} (( segid "alk1" and resid 76 and name HN )) ( segid "alk1" and resid 77 and name HD2%) 5.500 3.700 0.500 peak 1183 spectrum 1 weight 0.11000E+01 volume 0.14978E-03 ppm1 8.300 ppm2 0.539 CV 1 ASSI { 1184} (( segid "alk1" and resid 75 and name HN )) ( segid "alk1" and resid 15 and name HG1%) 2.900 1.000 1.000 peak 1184 spectrum 1 weight 0.11000E+01 volume 0.18274E-02 ppm1 7.642 ppm2 0.789 CV 1 ASSI { 1186} (( segid "alk1" and resid 75 and name HN )) (( segid "alk1" and resid 15 and name HB )) 5.900 4.400 0.100 peak 1186 spectrum 1 weight 0.11000E+01 volume 0.72512E-04 ppm1 7.642 ppm2 1.846 CV 1 ASSI { 1187} (( segid "alk1" and resid 75 and name HN )) (( segid "alk1" and resid 76 and name HA )) 3.800 1.800 1.800 peak 1187 spectrum 1 weight 0.11000E+01 volume 0.63652E-03 ppm1 7.643 ppm2 4.558 CV 1 ASSI { 1189} (( segid "alk1" and resid 75 and name HN )) (( segid "alk1" and resid 77 and name HN )) 5.700 4.000 0.300 peak 1189 spectrum 1 weight 0.11000E+01 volume 0.72006E-04 ppm1 7.644 ppm2 9.770 CV 1 ASSI { 1190} (( segid "alk1" and resid 70 and name HN )) (( segid "alk1" and resid 69 and name HB1 )) 3.800 1.800 1.800 peak 1190 spectrum 1 weight 0.11000E+01 volume 0.91567E-03 ppm1 8.119 ppm2 2.832 CV 1 ASSI { 1191} (( segid "alk1" and resid 70 and name HN )) ( segid "alk1" and resid 37 and name HG1%) 3.800 3.800 2.200 peak 1191 spectrum 1 weight 0.11000E+01 volume 0.62663E-03 ppm1 8.122 ppm2 0.700 CV 1 ASSI { 1192} (( segid "alk1" and resid 70 and name HN )) (( segid "alk1" and resid 70 and name HA )) 3.100 1.200 1.200 peak 1192 spectrum 1 weight 0.11000E+01 volume 0.10175E-02 ppm1 8.126 ppm2 5.052 CV 1 ASSI { 1195} (( segid "alk1" and resid 70 and name HN )) (( segid "alk1" and resid 61 and name HN )) 5.000 3.100 1.000 peak 1195 spectrum 1 weight 0.11000E+01 volume 0.12713E-03 ppm1 8.132 ppm2 7.640 CV 1 ASSI { 1197} (( segid "alk1" and resid 70 and name HN )) (( segid "alk1" and resid 71 and name HN )) 4.700 2.700 1.300 peak 1197 spectrum 1 weight 0.11000E+01 volume 0.25878E-03 ppm1 8.122 ppm2 9.059 CV 1 ASSI { 1198} (( segid "alk1" and resid 47 and name HE22)) ( segid "alk1" and resid 39 and name HG2%) 5.900 4.400 0.100 peak 1198 spectrum 1 weight 0.11000E+01 volume 0.58931E-04 ppm1 7.565 ppm2 0.572 CV 1 ASSI { 1199} (( segid "alk1" and resid 47 and name HE22)) (( segid "alk1" and resid 45 and name HB1 )) 3.300 3.300 2.700 peak 1199 spectrum 1 weight 0.11000E+01 volume 0.27006E-03 ppm1 7.565 ppm2 3.127 CV 1 ASSI { 1201} (( segid "alk1" and resid 54 and name HD21)) (( segid "alk1" and resid 31 and name HA2 )) 4.800 2.900 1.200 peak 1201 spectrum 1 weight 0.11000E+01 volume 0.10490E-03 ppm1 6.957 ppm2 3.338 CV 1 ASSI { 1202} (( segid "alk1" and resid 54 and name HD21)) (( segid "alk1" and resid 54 and name HA )) 4.600 2.700 1.400 peak 1202 spectrum 1 weight 0.11000E+01 volume 0.95818E-04 ppm1 6.960 ppm2 4.045 CV 1 ASSI { 1203} (( segid "alk1" and resid 54 and name HD21)) (( segid "alk1" and resid 31 and name HA1 )) 4.100 2.100 1.900 peak 1203 spectrum 1 weight 0.11000E+01 volume 0.21818E-03 ppm1 6.959 ppm2 4.421 CV 1 ASSI { 1204} (( segid "alk1" and resid 54 and name HD21)) ( segid "alk1" and resid 55 and name HD1%) 5.600 3.900 0.400 peak 1204 spectrum 1 weight 0.11000E+01 volume 0.80266E-04 ppm1 6.962 ppm2 0.827 CV 1 OR { 1204} (( segid "alk1" and resid 54 and name HD21)) ( segid "alk1" and resid 55 and name HD2%) ASSI { 1205} (( segid "alk1" and resid 69 and name HD21)) ( segid "alk1" and resid 84 and name HD2%) 4.400 2.400 1.600 peak 1205 spectrum 1 weight 0.11000E+01 volume 0.15110E-03 ppm1 6.900 ppm2 0.567 CV 1 ASSI { 1206} (( segid "alk1" and resid 69 and name HD21)) ( segid "alk1" and resid 85 and name HG2%) 4.100 2.100 1.900 peak 1206 spectrum 1 weight 0.11000E+01 volume 0.46544E-03 ppm1 6.903 ppm2 0.765 CV 1 ASSI { 1207} (( segid "alk1" and resid 69 and name HD21)) (( segid "alk1" and resid 84 and name HG )) 4.100 2.100 1.900 peak 1207 spectrum 1 weight 0.11000E+01 volume 0.22863E-03 ppm1 6.904 ppm2 1.412 CV 1 ASSI { 1208} (( segid "alk1" and resid 69 and name HD21)) (( segid "alk1" and resid 84 and name HB1 )) 4.000 2.000 2.000 peak 1208 spectrum 1 weight 0.11000E+01 volume 0.29024E-03 ppm1 6.903 ppm2 1.542 CV 1 OR { 1208} (( segid "alk1" and resid 69 and name HD21)) (( segid "alk1" and resid 84 and name HB2 )) ASSI { 1209} (( segid "alk1" and resid 69 and name HD21)) (( segid "alk1" and resid 87 and name HB2 )) 4.300 4.300 1.700 peak 1209 spectrum 1 weight 0.11000E+01 volume 0.25315E-03 ppm1 6.905 ppm2 1.979 CV 1 ASSI { 1210} (( segid "alk1" and resid 69 and name HD21)) (( segid "alk1" and resid 69 and name HA )) 5.100 3.200 0.900 peak 1210 spectrum 1 weight 0.11000E+01 volume 0.19478E-03 ppm1 6.906 ppm2 4.903 CV 1 ASSI { 1211} (( segid "alk1" and resid 33 and name HE1 )) (( segid "alk1" and resid 53 and name HN )) 4.700 2.700 1.300 peak 1211 spectrum 1 weight 0.11000E+01 volume 0.27362E-03 ppm1 9.881 ppm2 8.685 CV 1 ASSI { 1214} (( segid "alk1" and resid 33 and name HE1 )) (( segid "alk1" and resid 72 and name HA )) 6.000 5.600 0.000 peak 1214 spectrum 1 weight 0.11000E+01 volume 0.49545E-04 ppm1 9.884 ppm2 5.803 CV 1 ASSI { 1217} (( segid "alk1" and resid 33 and name HE1 )) (( segid "alk1" and resid 72 and name HB1 )) 3.900 1.900 1.900 peak 1217 spectrum 1 weight 0.11000E+01 volume 0.43105E-03 ppm1 9.886 ppm2 2.895 CV 1 ASSI { 1219} (( segid "alk1" and resid 57 and name HN )) (( segid "alk1" and resid 33 and name HZ2 )) 4.500 2.500 1.500 peak 1219 spectrum 1 weight 0.11000E+01 volume 0.36665E-03 ppm1 8.867 ppm2 7.026 CV 1 ASSI { 1221} (( segid "alk1" and resid 57 and name HN )) (( segid "alk1" and resid 59 and name HN )) 6.000 4.500 0.000 peak 1221 spectrum 1 weight 0.11000E+01 volume 0.38841E-04 ppm1 8.866 ppm2 7.343 CV 1 ASSI { 1223} (( segid "alk1" and resid 57 and name HN )) (( segid "alk1" and resid 58 and name HN )) 3.200 1.300 1.300 peak 1223 spectrum 1 weight 0.11000E+01 volume 0.10150E-02 ppm1 8.866 ppm2 9.763 CV 1 ASSI { 1224} (( segid "alk1" and resid 57 and name HN )) (( segid "alk1" and resid 56 and name HB1 )) 5.400 3.600 0.600 peak 1224 spectrum 1 weight 0.11000E+01 volume 0.11287E-03 ppm1 8.868 ppm2 3.486 CV 1 ASSI { 1225} (( segid "alk1" and resid 57 and name HN )) (( segid "alk1" and resid 57 and name HD1 )) 6.000 4.800 0.000 peak 1225 spectrum 1 weight 0.11000E+01 volume 0.72204E-04 ppm1 8.866 ppm2 1.968 CV 1 ASSI { 1226} (( segid "alk1" and resid 57 and name HN )) (( segid "alk1" and resid 57 and name HG2 )) 4.700 2.700 1.300 peak 1226 spectrum 1 weight 0.11000E+01 volume 0.54372E-03 ppm1 8.866 ppm2 0.759 CV 1 ASSI { 1227} (( segid "alk1" and resid 57 and name HN )) (( segid "alk1" and resid 57 and name HG1 )) 4.200 2.200 1.800 peak 1227 spectrum 1 weight 0.11000E+01 volume 0.67567E-03 ppm1 8.866 ppm2 1.196 CV 1 ASSI { 1229} (( segid "alk1" and resid 8 and name HN )) (( segid "alk1" and resid 8 and name HG1 )) 6.000 6.000 0.000 peak 1229 spectrum 1 weight 0.11000E+01 volume 0.97232E-05 ppm1 8.273 ppm2 1.452 CV 1 ASSI { 1231} (( segid "alk1" and resid 16 and name HN )) (( segid "alk1" and resid 30 and name HG2 )) 6.000 6.000 0.000 peak 1231 spectrum 1 weight 0.11000E+01 volume 0.80772E-05 ppm1 8.893 ppm2 1.569 CV 1 OR { 1231} (( segid "alk1" and resid 16 and name HN )) (( segid "alk1" and resid 30 and name HG1 )) ASSI { 1232} (( segid "alk1" and resid 54 and name HD22)) (( segid "alk1" and resid 31 and name HN )) 6.000 5.800 0.000 peak 1232 spectrum 1 weight 0.11000E+01 volume 0.32649E-05 ppm1 7.425 ppm2 8.869 CV 1 ASSI { 1239} (( segid "alk1" and resid 54 and name HD22)) (( segid "alk1" and resid 30 and name HA )) 6.000 6.000 0.000 peak 1239 spectrum 1 weight 0.11000E+01 volume 0.22074E-05 ppm1 7.419 ppm2 5.524 CV 1 ASSI { 1242} (( segid "alk1" and resid 61 and name HN )) (( segid "alk1" and resid 70 and name HD2 )) 6.000 6.000 0.000 peak 1242 spectrum 1 weight 0.11000E+01 volume 0.30524E-05 ppm1 7.629 ppm2 6.884 CV 1 ASSI { 2} (( segid "alk1" and resid 35 and name HB )) (( segid "alk1" and resid 36 and name HN )) 2.800 1.000 1.000 peak 2 spectrum 1 weight 0.11000E+01 volume 0.33014E-02 ppm1 4.017 ppm2 8.844 CV 1 ASSI { 3} (( segid "alk1" and resid 35 and name HB )) (( segid "alk1" and resid 35 and name HA )) 2.500 0.800 0.800 peak 3 spectrum 1 weight 0.11000E+01 volume 0.38750E-02 ppm1 4.017 ppm2 5.915 CV 1 ASSI { 6} (( segid "alk1" and resid 75 and name HB2 )) (( segid "alk1" and resid 76 and name HN )) 2.900 1.100 1.100 peak 6 spectrum 1 weight 0.11000E+01 volume 0.34694E-02 ppm1 4.058 ppm2 8.313 CV 1 ASSI { 9} (( segid "alk1" and resid 75 and name HB1 )) (( segid "alk1" and resid 75 and name HA )) 2.400 0.700 0.700 peak 9 spectrum 1 weight 0.11000E+01 volume 0.54272E-02 ppm1 3.852 ppm2 4.898 CV 1 ASSI { 15} (( segid "alk1" and resid 64 and name HA )) (( segid "alk1" and resid 65 and name HN )) 2.800 1.000 1.000 peak 15 spectrum 1 weight 0.11000E+01 volume 0.25361E-02 ppm1 4.482 ppm2 7.952 CV 1 ASSI { 22} (( segid "alk1" and resid 82 and name HA )) (( segid "alk1" and resid 94 and name HN )) 2.200 2.200 3.800 peak 22 spectrum 1 weight 0.11000E+01 volume 0.10223E-01 ppm1 3.844 ppm2 8.366 CV 1 ASSI { 23} (( segid "alk1" and resid 7 and name HA )) (( segid "alk1" and resid 8 and name HN )) 2.300 0.700 0.700 peak 23 spectrum 1 weight 0.11000E+01 volume 0.70480E-02 ppm1 3.992 ppm2 8.284 CV 1 ASSI { 34} (( segid "alk1" and resid 78 and name HA )) (( segid "alk1" and resid 78 and name HN )) 2.700 0.900 0.900 peak 34 spectrum 1 weight 0.11000E+01 volume 0.29586E-02 ppm1 4.428 ppm2 8.486 CV 1 ASSI { 36} (( segid "alk1" and resid 10 and name HA )) (( segid "alk1" and resid 11 and name HN )) 2.500 0.800 0.800 peak 36 spectrum 1 weight 0.11000E+01 volume 0.50601E-02 ppm1 4.380 ppm2 8.345 CV 1 ASSI { 37} (( segid "alk1" and resid 42 and name HA )) (( segid "alk1" and resid 43 and name HN )) 2.000 0.500 0.500 peak 37 spectrum 1 weight 0.11000E+01 volume 0.14559E-01 ppm1 4.027 ppm2 8.676 CV 1 ASSI { 45} (( segid "alk1" and resid 60 and name HA )) (( segid "alk1" and resid 60 and name HN )) 2.500 0.800 0.800 peak 45 spectrum 1 weight 0.11000E+01 volume 0.52408E-02 ppm1 4.259 ppm2 7.637 CV 1 ASSI { 52} (( segid "alk1" and resid 32 and name HA )) (( segid "alk1" and resid 32 and name HN )) 4.500 2.500 1.500 peak 52 spectrum 1 weight 0.11000E+01 volume 0.12338E-03 ppm1 4.407 ppm2 7.736 CV 1 ASSI { 57} (( segid "alk1" and resid 29 and name HB2 )) (( segid "alk1" and resid 29 and name HA )) 2.700 0.900 0.900 peak 57 spectrum 1 weight 0.11000E+01 volume 0.24737E-02 ppm1 3.475 ppm2 4.867 CV 1 ASSI { 59} (( segid "alk1" and resid 29 and name HB1 )) (( segid "alk1" and resid 29 and name HA )) 2.800 1.000 1.000 peak 59 spectrum 1 weight 0.11000E+01 volume 0.30567E-02 ppm1 2.792 ppm2 4.868 CV 1 ASSI { 60} (( segid "alk1" and resid 43 and name HA2 )) (( segid "alk1" and resid 43 and name HN )) 2.800 1.000 1.000 peak 60 spectrum 1 weight 0.11000E+01 volume 0.20923E-02 ppm1 4.088 ppm2 8.682 CV 1 ASSI { 63} (( segid "alk1" and resid 62 and name HA2 )) (( segid "alk1" and resid 63 and name HN )) 2.700 0.900 0.900 peak 63 spectrum 1 weight 0.11000E+01 volume 0.35830E-02 ppm1 3.883 ppm2 8.213 CV 1 ASSI { 65} (( segid "alk1" and resid 31 and name HA1 )) (( segid "alk1" and resid 32 and name HN )) 3.800 1.800 1.800 peak 65 spectrum 1 weight 0.11000E+01 volume 0.12584E-03 ppm1 4.417 ppm2 7.733 CV 1 ASSI { 68} (( segid "alk1" and resid 29 and name HB1 )) (( segid "alk1" and resid 29 and name HB2 )) 1.900 0.500 0.500 peak 68 spectrum 1 weight 0.11000E+01 volume 0.94500E-02 ppm1 2.792 ppm2 3.475 CV 1 ASSI { 70} (( segid "alk1" and resid 28 and name HB )) ( segid "alk1" and resid 16 and name HG2%) 2.500 0.800 0.800 peak 70 spectrum 1 weight 0.11000E+01 volume 0.42260E-02 ppm1 4.219 ppm2 1.154 CV 1 ASSI { 71} (( segid "alk1" and resid 28 and name HB )) ( segid "alk1" and resid 28 and name HG2%) 2.300 0.600 0.600 peak 71 spectrum 1 weight 0.11000E+01 volume 0.75452E-02 ppm1 4.218 ppm2 0.986 CV 1 ASSI { 73} (( segid "alk1" and resid 35 and name HB )) ( segid "alk1" and resid 37 and name HG1%) 2.800 1.000 1.000 peak 73 spectrum 1 weight 0.11000E+01 volume 0.28995E-02 ppm1 4.018 ppm2 0.665 CV 1 ASSI { 75} (( segid "alk1" and resid 98 and name HB )) ( segid "alk1" and resid 98 and name HG2%) 3.000 1.100 1.100 peak 75 spectrum 1 weight 0.11000E+01 volume 0.18519E-02 ppm1 4.253 ppm2 1.151 CV 1 ASSI { 76} (( segid "alk1" and resid 89 and name HB )) ( segid "alk1" and resid 89 and name HG2%) 2.300 0.700 0.700 peak 76 spectrum 1 weight 0.11000E+01 volume 0.76967E-02 ppm1 4.145 ppm2 1.147 CV 1 ASSI { 77} (( segid "alk1" and resid 18 and name HB )) ( segid "alk1" and resid 18 and name HG2%) 2.400 0.700 0.700 peak 77 spectrum 1 weight 0.11000E+01 volume 0.57668E-02 ppm1 3.480 ppm2 1.222 CV 1 ASSI { 79} (( segid "alk1" and resid 18 and name HA )) ( segid "alk1" and resid 18 and name HG2%) 3.100 1.200 1.200 peak 79 spectrum 1 weight 0.11000E+01 volume 0.13292E-02 ppm1 4.001 ppm2 1.218 CV 1 ASSI { 88} (( segid "alk1" and resid 22 and name HA )) (( segid "alk1" and resid 22 and name HB1 )) 2.000 2.000 4.000 peak 88 spectrum 1 weight 0.11000E+01 volume 0.12069E-01 ppm1 4.359 ppm2 2.273 CV 1 ASSI { 89} (( segid "alk1" and resid 22 and name HA )) (( segid "alk1" and resid 22 and name HG2 )) 3.400 1.400 1.400 peak 89 spectrum 1 weight 0.11000E+01 volume 0.24960E-02 ppm1 4.360 ppm2 1.889 CV 1 ASSI { 90} (( segid "alk1" and resid 22 and name HA )) (( segid "alk1" and resid 22 and name HB2 )) 3.200 1.200 1.200 peak 90 spectrum 1 weight 0.11000E+01 volume 0.12637E-02 ppm1 4.359 ppm2 1.466 CV 1 ASSI { 91} (( segid "alk1" and resid 64 and name HA )) (( segid "alk1" and resid 64 and name HB2 )) 4.500 2.600 1.500 peak 91 spectrum 1 weight 0.11000E+01 volume 0.25186E-03 ppm1 4.487 ppm2 1.989 CV 1 ASSI { 93} (( segid "alk1" and resid 96 and name HA )) (( segid "alk1" and resid 96 and name HB2 )) 2.200 0.600 0.600 peak 93 spectrum 1 weight 0.11000E+01 volume 0.15261E-01 ppm1 4.424 ppm2 2.277 CV 1 ASSI { 94} (( segid "alk1" and resid 9 and name HA )) (( segid "alk1" and resid 8 and name HB1 )) 5.000 3.200 1.000 peak 94 spectrum 1 weight 0.11000E+01 volume 0.13207E-03 ppm1 4.426 ppm2 1.793 CV 1 ASSI { 95} (( segid "alk1" and resid 13 and name HA )) (( segid "alk1" and resid 14 and name HB1 )) 5.700 4.100 0.300 peak 95 spectrum 1 weight 0.11000E+01 volume 0.26381E-03 ppm1 4.427 ppm2 1.573 CV 1 ASSI { 106} (( segid "alk1" and resid 85 and name HA )) ( segid "alk1" and resid 38 and name HD2%) 2.200 2.200 3.800 peak 106 spectrum 1 weight 0.11000E+01 volume 0.10176E-01 ppm1 3.940 ppm2 0.781 CV 1 ASSI { 110} (( segid "alk1" and resid 7 and name HA )) ( segid "alk1" and resid 7 and name HG1%) 3.100 1.200 1.200 peak 110 spectrum 1 weight 0.11000E+01 volume 0.15280E-02 ppm1 3.993 ppm2 0.898 CV 1 OR { 110} (( segid "alk1" and resid 7 and name HA )) ( segid "alk1" and resid 7 and name HG2%) ASSI { 112} (( segid "alk1" and resid 89 and name HA )) ( segid "alk1" and resid 89 and name HG2%) 3.000 1.100 1.100 peak 112 spectrum 1 weight 0.11000E+01 volume 0.22095E-02 ppm1 4.262 ppm2 1.145 CV 1 ASSI { 113} (( segid "alk1" and resid 65 and name HA )) ( segid "alk1" and resid 65 and name HG2%) 3.100 1.200 1.200 peak 113 spectrum 1 weight 0.11000E+01 volume 0.17247E-02 ppm1 4.417 ppm2 1.216 CV 1 ASSI { 115} (( segid "alk1" and resid 15 and name HA )) ( segid "alk1" and resid 15 and name HG1%) 2.500 0.800 0.800 peak 115 spectrum 1 weight 0.11000E+01 volume 0.42699E-02 ppm1 4.455 ppm2 0.784 CV 1 OR { 115} (( segid "alk1" and resid 15 and name HA )) ( segid "alk1" and resid 15 and name HG2%) ASSI { 118} (( segid "alk1" and resid 58 and name HA )) (( segid "alk1" and resid 58 and name HB1 )) 2.500 0.800 0.800 peak 118 spectrum 1 weight 0.11000E+01 volume 0.57510E-02 ppm1 4.033 ppm2 2.087 CV 1 OR { 118} (( segid "alk1" and resid 58 and name HA )) (( segid "alk1" and resid 58 and name HG1 )) ASSI { 119} (( segid "alk1" and resid 42 and name HA )) (( segid "alk1" and resid 42 and name HG2 )) 3.200 1.300 1.300 peak 119 spectrum 1 weight 0.11000E+01 volume 0.13940E-02 ppm1 4.026 ppm2 2.243 CV 1 OR { 119} (( segid "alk1" and resid 42 and name HA )) (( segid "alk1" and resid 42 and name HG1 )) ASSI { 120} (( segid "alk1" and resid 42 and name HA )) (( segid "alk1" and resid 42 and name HB2 )) 2.200 0.600 0.600 peak 120 spectrum 1 weight 0.11000E+01 volume 0.11129E-01 ppm1 4.026 ppm2 1.973 CV 1 OR { 120} (( segid "alk1" and resid 42 and name HA )) (( segid "alk1" and resid 42 and name HB1 )) ASSI { 121} (( segid "alk1" and resid 66 and name HA )) (( segid "alk1" and resid 66 and name HG2 )) 2.800 1.000 1.000 peak 121 spectrum 1 weight 0.11000E+01 volume 0.35887E-02 ppm1 4.172 ppm2 1.936 CV 1 OR { 121} (( segid "alk1" and resid 66 and name HA )) (( segid "alk1" and resid 66 and name HG1 )) ASSI { 122} (( segid "alk1" and resid 66 and name HA )) (( segid "alk1" and resid 66 and name HB1 )) 2.300 0.700 0.700 peak 122 spectrum 1 weight 0.11000E+01 volume 0.87578E-02 ppm1 4.171 ppm2 1.795 CV 1 OR { 122} (( segid "alk1" and resid 66 and name HA )) (( segid "alk1" and resid 66 and name HB2 )) ASSI { 123} (( segid "alk1" and resid 87 and name HA )) (( segid "alk1" and resid 87 and name HB2 )) 2.500 2.500 3.500 peak 123 spectrum 1 weight 0.11000E+01 volume 0.42347E-02 ppm1 4.181 ppm2 1.972 CV 1 ASSI { 128} (( segid "alk1" and resid 11 and name HA )) (( segid "alk1" and resid 11 and name HG1 )) 2.800 1.000 1.000 peak 128 spectrum 1 weight 0.11000E+01 volume 0.26838E-02 ppm1 4.416 ppm2 1.679 CV 1 OR { 128} (( segid "alk1" and resid 11 and name HA )) (( segid "alk1" and resid 11 and name HG2 )) ASSI { 131} (( segid "alk1" and resid 11 and name HA )) (( segid "alk1" and resid 8 and name HG1 )) 3.700 3.700 2.300 peak 131 spectrum 1 weight 0.10000E+01 volume 0.13430E-03 ppm1 4.404 ppm2 1.448 CV 1 ASSI { 133} (( segid "alk1" and resid 41 and name HA )) (( segid "alk1" and resid 41 and name HG1 )) 2.800 1.000 1.000 peak 133 spectrum 1 weight 0.11000E+01 volume 0.31417E-02 ppm1 4.393 ppm2 2.164 CV 1 OR { 133} (( segid "alk1" and resid 41 and name HA )) (( segid "alk1" and resid 41 and name HG2 )) ASSI { 134} (( segid "alk1" and resid 41 and name HA )) (( segid "alk1" and resid 41 and name HB1 )) 2.500 0.800 0.800 peak 134 spectrum 1 weight 0.11000E+01 volume 0.50872E-02 ppm1 4.391 ppm2 1.914 CV 1 ASSI { 135} (( segid "alk1" and resid 41 and name HA )) (( segid "alk1" and resid 41 and name HB2 )) 2.700 0.900 0.900 peak 135 spectrum 1 weight 0.11000E+01 volume 0.29658E-02 ppm1 4.394 ppm2 1.759 CV 1 ASSI { 136} (( segid "alk1" and resid 61 and name HA )) (( segid "alk1" and resid 61 and name HB2 )) 3.100 3.100 2.900 peak 136 spectrum 1 weight 0.11000E+01 volume 0.13225E-02 ppm1 4.489 ppm2 1.905 CV 1 ASSI { 138} (( segid "alk1" and resid 32 and name HA )) ( segid "alk1" and resid 32 and name HB% ) 2.100 0.600 0.600 peak 138 spectrum 1 weight 0.11000E+01 volume 0.13230E-01 ppm1 4.411 ppm2 1.496 CV 1 ASSI { 139} (( segid "alk1" and resid 32 and name HA )) ( segid "alk1" and resid 14 and name HD2%) 3.300 1.300 1.300 peak 139 spectrum 1 weight 0.11000E+01 volume 0.26168E-03 ppm1 4.409 ppm2 0.639 CV 1 ASSI { 142} (( segid "alk1" and resid 54 and name HA )) ( segid "alk1" and resid 32 and name HB% ) 2.400 0.700 0.700 peak 142 spectrum 1 weight 0.11000E+01 volume 0.57483E-02 ppm1 4.027 ppm2 1.494 CV 1 ASSI { 151} (( segid "alk1" and resid 79 and name HA )) ( segid "alk1" and resid 82 and name HG1%) 3.300 1.400 1.400 peak 151 spectrum 1 weight 0.11000E+01 volume 0.95211E-03 ppm1 4.420 ppm2 0.801 CV 1 ASSI { 152} (( segid "alk1" and resid 88 and name HA )) ( segid "alk1" and resid 88 and name HB% ) 2.400 0.700 0.700 peak 152 spectrum 1 weight 0.11000E+01 volume 0.61516E-02 ppm1 4.305 ppm2 1.340 CV 1 ASSI { 159} (( segid "alk1" and resid 92 and name HD2 )) (( segid "alk1" and resid 92 and name HG2 )) 2.000 0.500 0.500 peak 159 spectrum 1 weight 0.11000E+01 volume 0.19458E-01 ppm1 3.621 ppm2 1.997 CV 1 OR { 159} (( segid "alk1" and resid 92 and name HD2 )) (( segid "alk1" and resid 92 and name HG1 )) ASSI { 160} (( segid "alk1" and resid 46 and name HD2 )) (( segid "alk1" and resid 46 and name HB1 )) 3.000 1.100 1.100 peak 160 spectrum 1 weight 0.10000E+01 volume 0.50641E-02 ppm1 3.443 ppm2 2.042 CV 1 ASSI { 167} (( segid "alk1" and resid 27 and name HD1 )) (( segid "alk1" and resid 27 and name HB2 )) 4.000 2.000 2.000 peak 167 spectrum 1 weight 0.11000E+01 volume 0.10677E-02 ppm1 3.543 ppm2 2.094 CV 1 ASSI { 168} (( segid "alk1" and resid 52 and name HB1 )) (( segid "alk1" and resid 52 and name HB2 )) 1.900 0.500 0.500 peak 168 spectrum 1 weight 0.11000E+01 volume 0.80380E-02 ppm1 2.890 ppm2 2.442 CV 1 ASSI { 169} (( segid "alk1" and resid 40 and name HD1 )) (( segid "alk1" and resid 40 and name HB2 )) 2.800 0.900 0.900 peak 169 spectrum 1 weight 0.11000E+01 volume 0.36236E-02 ppm1 3.095 ppm2 1.731 CV 1 ASSI { 170} (( segid "alk1" and resid 40 and name HD2 )) (( segid "alk1" and resid 40 and name HG2 )) 2.500 0.800 0.800 peak 170 spectrum 1 weight 0.11000E+01 volume 0.55006E-02 ppm1 3.094 ppm2 1.388 CV 1 ASSI { 171} (( segid "alk1" and resid 30 and name HD1 )) (( segid "alk1" and resid 30 and name HG2 )) 2.000 0.500 0.500 peak 171 spectrum 1 weight 0.11000E+01 volume 0.14339E-01 ppm1 3.059 ppm2 1.599 CV 1 OR { 171} (( segid "alk1" and resid 30 and name HD1 )) (( segid "alk1" and resid 30 and name HG1 )) ASSI { 173} (( segid "alk1" and resid 11 and name HD2 )) (( segid "alk1" and resid 11 and name HB2 )) 2.600 0.800 0.800 peak 173 spectrum 1 weight 0.10000E+01 volume 0.50527E-02 ppm1 3.199 ppm2 1.870 CV 1 OR { 173} (( segid "alk1" and resid 11 and name HD1 )) (( segid "alk1" and resid 11 and name HB2 )) OR { 173} (( segid "alk1" and resid 11 and name HD2 )) (( segid "alk1" and resid 11 and name HB1 )) OR { 173} (( segid "alk1" and resid 11 and name HD1 )) (( segid "alk1" and resid 11 and name HB1 )) ASSI { 174} (( segid "alk1" and resid 11 and name HD1 )) (( segid "alk1" and resid 11 and name HG2 )) 1.900 0.500 0.500 peak 174 spectrum 1 weight 0.11000E+01 volume 0.19947E-01 ppm1 3.201 ppm2 1.681 CV 1 OR { 174} (( segid "alk1" and resid 11 and name HD2 )) (( segid "alk1" and resid 11 and name HG1 )) OR { 174} (( segid "alk1" and resid 11 and name HD2 )) (( segid "alk1" and resid 11 and name HG2 )) OR { 174} (( segid "alk1" and resid 11 and name HD1 )) (( segid "alk1" and resid 11 and name HG1 )) ASSI { 178} (( segid "alk1" and resid 14 and name HB2 )) (( segid "alk1" and resid 14 and name HB1 )) 2.000 0.500 0.500 peak 178 spectrum 1 weight 0.11000E+01 volume 0.60091E-02 ppm1 1.219 ppm2 1.575 CV 1 ASSI { 182} (( segid "alk1" and resid 12 and name HA2 )) (( segid "alk1" and resid 13 and name HD2 )) 2.500 0.800 0.800 peak 182 spectrum 1 weight 0.11000E+01 volume 0.13003E-01 ppm1 4.056 ppm2 3.642 CV 1 ASSI { 185} (( segid "alk1" and resid 26 and name HA2 )) (( segid "alk1" and resid 28 and name HN )) 6.000 5.600 0.000 peak 185 spectrum 1 weight 0.10000E+01 volume 0.33872E-04 ppm1 4.178 ppm2 7.598 CV 1 ASSI { 186} (( segid "alk1" and resid 26 and name HA2 )) (( segid "alk1" and resid 27 and name HG2 )) 3.800 3.800 2.200 peak 186 spectrum 1 weight 0.11000E+01 volume 0.18873E-02 ppm1 4.186 ppm2 1.991 CV 1 OR { 186} (( segid "alk1" and resid 26 and name HA2 )) (( segid "alk1" and resid 27 and name HG1 )) ASSI { 187} (( segid "alk1" and resid 26 and name HA2 )) (( segid "alk1" and resid 27 and name HB2 )) 3.600 1.600 1.600 peak 187 spectrum 1 weight 0.11000E+01 volume 0.19743E-02 ppm1 4.180 ppm2 2.097 CV 1 ASSI { 188} (( segid "alk1" and resid 15 and name HA )) (( segid "alk1" and resid 15 and name HN )) 2.900 1.100 1.100 peak 188 spectrum 1 weight 0.11000E+01 volume 0.13944E-02 ppm1 4.458 ppm2 9.118 CV 1 ASSI { 189} (( segid "alk1" and resid 15 and name HA )) (( segid "alk1" and resid 16 and name HA )) 3.300 3.300 2.700 peak 189 spectrum 1 weight 0.11000E+01 volume 0.21151E-02 ppm1 4.451 ppm2 4.924 CV 1 ASSI { 192} (( segid "alk1" and resid 16 and name HA )) (( segid "alk1" and resid 16 and name HN )) 2.700 0.900 0.900 peak 192 spectrum 1 weight 0.11000E+01 volume 0.26230E-02 ppm1 4.885 ppm2 8.884 CV 1 ASSI { 194} (( segid "alk1" and resid 16 and name HA )) (( segid "alk1" and resid 17 and name HA )) 2.400 2.400 3.600 peak 194 spectrum 1 weight 0.11000E+01 volume 0.13625E-01 ppm1 4.888 ppm2 4.888 CV 1 ASSI { 195} (( segid "alk1" and resid 16 and name HA )) ( segid "alk1" and resid 16 and name HG2%) 2.700 0.900 0.900 peak 195 spectrum 1 weight 0.11000E+01 volume 0.34181E-02 ppm1 4.893 ppm2 1.157 CV 1 ASSI { 199} (( segid "alk1" and resid 17 and name HA )) ( segid "alk1" and resid 77 and name HD2%) 2.500 0.800 0.800 peak 199 spectrum 1 weight 0.11000E+01 volume 0.31776E-02 ppm1 4.877 ppm2 0.530 CV 1 ASSI { 200} (( segid "alk1" and resid 16 and name HB )) ( segid "alk1" and resid 77 and name HD2%) 3.300 1.400 1.400 peak 200 spectrum 1 weight 0.11000E+01 volume 0.17669E-02 ppm1 4.137 ppm2 0.533 CV 1 ASSI { 201} (( segid "alk1" and resid 16 and name HB )) ( segid "alk1" and resid 15 and name HG1%) 5.200 3.400 0.800 peak 201 spectrum 1 weight 0.11000E+01 volume 0.19804E-03 ppm1 4.134 ppm2 0.781 CV 1 ASSI { 202} (( segid "alk1" and resid 16 and name HB )) (( segid "alk1" and resid 76 and name HB1 )) 3.600 1.600 1.600 peak 202 spectrum 1 weight 0.11000E+01 volume 0.75931E-03 ppm1 4.137 ppm2 3.065 CV 1 OR { 202} (( segid "alk1" and resid 16 and name HB )) (( segid "alk1" and resid 76 and name HB2 )) ASSI { 203} (( segid "alk1" and resid 16 and name HB )) (( segid "alk1" and resid 16 and name HA )) 3.100 1.200 1.200 peak 203 spectrum 1 weight 0.11000E+01 volume 0.13748E-02 ppm1 4.134 ppm2 4.879 CV 1 ASSI { 204} (( segid "alk1" and resid 16 and name HB )) (( segid "alk1" and resid 15 and name HA )) 4.000 2.000 2.000 peak 204 spectrum 1 weight 0.11000E+01 volume 0.20034E-02 ppm1 4.133 ppm2 4.452 CV 1 ASSI { 207} (( segid "alk1" and resid 18 and name HA )) ( segid "alk1" and resid 77 and name HD2%) 3.400 1.500 1.500 peak 207 spectrum 1 weight 0.11000E+01 volume 0.87376E-03 ppm1 4.000 ppm2 0.540 CV 1 ASSI { 208} (( segid "alk1" and resid 18 and name HA )) ( segid "alk1" and resid 28 and name HG2%) 2.700 0.900 0.900 peak 208 spectrum 1 weight 0.11000E+01 volume 0.28280E-02 ppm1 4.001 ppm2 0.984 CV 1 ASSI { 209} (( segid "alk1" and resid 18 and name HA )) (( segid "alk1" and resid 18 and name HB )) 3.000 1.100 1.100 peak 209 spectrum 1 weight 0.11000E+01 volume 0.14347E-02 ppm1 4.001 ppm2 3.478 CV 1 ASSI { 211} (( segid "alk1" and resid 18 and name HA )) (( segid "alk1" and resid 28 and name HA )) 3.100 1.200 1.200 peak 211 spectrum 1 weight 0.11000E+01 volume 0.26177E-02 ppm1 4.002 ppm2 5.363 CV 1 ASSI { 212} (( segid "alk1" and resid 18 and name HA )) (( segid "alk1" and resid 18 and name HN )) 2.900 1.000 1.000 peak 212 spectrum 1 weight 0.11000E+01 volume 0.16141E-02 ppm1 3.997 ppm2 8.925 CV 1 ASSI { 215} (( segid "alk1" and resid 18 and name HB )) (( segid "alk1" and resid 79 and name HN )) 5.300 3.500 0.700 peak 215 spectrum 1 weight 0.11000E+01 volume 0.10323E-03 ppm1 3.478 ppm2 8.443 CV 1 ASSI { 217} (( segid "alk1" and resid 18 and name HB )) (( segid "alk1" and resid 17 and name HA )) 4.400 2.400 1.600 peak 217 spectrum 1 weight 0.11000E+01 volume 0.78466E-03 ppm1 3.479 ppm2 4.881 CV 1 ASSI { 219} (( segid "alk1" and resid 18 and name HB )) (( segid "alk1" and resid 77 and name HA )) 4.300 2.300 1.700 peak 219 spectrum 1 weight 0.11000E+01 volume 0.47755E-03 ppm1 3.479 ppm2 3.761 CV 1 ASSI { 221} (( segid "alk1" and resid 18 and name HB )) (( segid "alk1" and resid 50 and name HD2 )) 2.700 0.900 0.900 peak 221 spectrum 1 weight 0.11000E+01 volume 0.28076E-02 ppm1 3.478 ppm2 3.202 CV 1 OR { 221} (( segid "alk1" and resid 18 and name HB )) (( segid "alk1" and resid 50 and name HD1 )) ASSI { 223} (( segid "alk1" and resid 18 and name HB )) (( segid "alk1" and resid 17 and name HB1 )) 5.500 3.800 0.500 peak 223 spectrum 1 weight 0.11000E+01 volume 0.87658E-04 ppm1 3.475 ppm2 2.961 CV 1 ASSI { 224} (( segid "alk1" and resid 18 and name HB )) (( segid "alk1" and resid 17 and name HB2 )) 5.900 4.400 0.100 peak 224 spectrum 1 weight 0.11000E+01 volume 0.10964E-03 ppm1 3.479 ppm2 2.847 CV 1 ASSI { 225} (( segid "alk1" and resid 18 and name HB )) (( segid "alk1" and resid 50 and name HB1 )) 3.200 1.300 1.300 peak 225 spectrum 1 weight 0.11000E+01 volume 0.13000E-02 ppm1 3.480 ppm2 1.807 CV 1 OR { 225} (( segid "alk1" and resid 18 and name HB )) (( segid "alk1" and resid 50 and name HB2 )) ASSI { 226} (( segid "alk1" and resid 18 and name HB )) (( segid "alk1" and resid 50 and name HG2 )) 3.900 1.900 1.900 peak 226 spectrum 1 weight 0.11000E+01 volume 0.48076E-03 ppm1 3.474 ppm2 1.496 CV 1 OR { 226} (( segid "alk1" and resid 18 and name HB )) (( segid "alk1" and resid 50 and name HG1 )) ASSI { 227} (( segid "alk1" and resid 18 and name HB )) ( segid "alk1" and resid 77 and name HD2%) 4.200 2.200 1.800 peak 227 spectrum 1 weight 0.11000E+01 volume 0.61519E-03 ppm1 3.480 ppm2 0.534 CV 1 ASSI { 229} (( segid "alk1" and resid 19 and name HA )) (( segid "alk1" and resid 50 and name HN )) 4.100 2.100 1.900 peak 229 spectrum 1 weight 0.11000E+01 volume 0.40101E-03 ppm1 5.030 ppm2 8.857 CV 1 ASSI { 230} (( segid "alk1" and resid 19 and name HA )) (( segid "alk1" and resid 19 and name HN )) 3.000 1.100 1.100 peak 230 spectrum 1 weight 0.11000E+01 volume 0.11989E-02 ppm1 5.036 ppm2 8.222 CV 1 ASSI { 232} (( segid "alk1" and resid 19 and name HA )) (( segid "alk1" and resid 51 and name HA1 )) 2.500 0.800 0.800 peak 232 spectrum 1 weight 0.11000E+01 volume 0.27034E-02 ppm1 5.034 ppm2 4.481 CV 1 ASSI { 234} (( segid "alk1" and resid 19 and name HA )) (( segid "alk1" and resid 50 and name HB1 )) 3.700 1.700 1.700 peak 234 spectrum 1 weight 0.11000E+01 volume 0.10908E-02 ppm1 5.035 ppm2 1.820 CV 1 ASSI { 235} (( segid "alk1" and resid 19 and name HA )) (( segid "alk1" and resid 19 and name HB2 )) 2.800 1.000 1.000 peak 235 spectrum 1 weight 0.11000E+01 volume 0.19262E-02 ppm1 5.035 ppm2 1.616 CV 1 ASSI { 236} (( segid "alk1" and resid 19 and name HA )) (( segid "alk1" and resid 50 and name HG2 )) 4.100 2.100 1.900 peak 236 spectrum 1 weight 0.11000E+01 volume 0.26934E-03 ppm1 5.026 ppm2 1.496 CV 1 OR { 236} (( segid "alk1" and resid 19 and name HA )) (( segid "alk1" and resid 50 and name HG1 )) ASSI { 237} (( segid "alk1" and resid 19 and name HA )) (( segid "alk1" and resid 19 and name HB1 )) 2.700 0.900 0.900 peak 237 spectrum 1 weight 0.11000E+01 volume 0.26255E-02 ppm1 5.036 ppm2 3.784 CV 1 ASSI { 238} (( segid "alk1" and resid 19 and name HA )) (( segid "alk1" and resid 51 and name HA2 )) 3.000 1.100 1.100 peak 238 spectrum 1 weight 0.11000E+01 volume 0.16438E-02 ppm1 5.037 ppm2 3.866 CV 1 ASSI { 239} (( segid "alk1" and resid 20 and name HA )) (( segid "alk1" and resid 21 and name HN )) 2.000 0.500 0.500 peak 239 spectrum 1 weight 0.11000E+01 volume 0.10949E-01 ppm1 4.510 ppm2 7.773 CV 1 ASSI { 240} (( segid "alk1" and resid 21 and name HA )) (( segid "alk1" and resid 22 and name HD2 )) 2.800 1.000 1.000 peak 240 spectrum 1 weight 0.11000E+01 volume 0.30637E-02 ppm1 4.508 ppm2 3.178 CV 1 ASSI { 241} (( segid "alk1" and resid 21 and name HA )) (( segid "alk1" and resid 22 and name HD1 )) 2.600 0.800 0.800 peak 241 spectrum 1 weight 0.11000E+01 volume 0.41633E-02 ppm1 4.506 ppm2 3.337 CV 1 ASSI { 242} (( segid "alk1" and resid 21 and name HA )) (( segid "alk1" and resid 21 and name HN )) 2.700 0.900 0.900 peak 242 spectrum 1 weight 0.11000E+01 volume 0.19309E-02 ppm1 4.512 ppm2 7.749 CV 1 ASSI { 243} (( segid "alk1" and resid 21 and name HB1 )) (( segid "alk1" and resid 21 and name HN )) 3.500 1.500 1.500 peak 243 spectrum 1 weight 0.11000E+01 volume 0.14527E-02 ppm1 3.980 ppm2 7.776 CV 1 ASSI { 244} (( segid "alk1" and resid 21 and name HB1 )) (( segid "alk1" and resid 50 and name HN )) 5.100 3.300 0.900 peak 244 spectrum 1 weight 0.11000E+01 volume 0.16076E-03 ppm1 3.985 ppm2 8.857 CV 1 ASSI { 245} (( segid "alk1" and resid 21 and name HB1 )) (( segid "alk1" and resid 20 and name HN )) 5.300 3.500 0.700 peak 245 spectrum 1 weight 0.11000E+01 volume 0.13081E-03 ppm1 3.983 ppm2 9.103 CV 1 ASSI { 246} (( segid "alk1" and resid 21 and name HB1 )) (( segid "alk1" and resid 49 and name HB2 )) 3.300 1.300 1.300 peak 246 spectrum 1 weight 0.11000E+01 volume 0.18084E-02 ppm1 3.980 ppm2 3.041 CV 1 ASSI { 248} (( segid "alk1" and resid 21 and name HB1 )) (( segid "alk1" and resid 22 and name HD1 )) 3.100 1.200 1.200 peak 248 spectrum 1 weight 0.11000E+01 volume 0.19953E-02 ppm1 3.980 ppm2 3.327 CV 1 ASSI { 249} (( segid "alk1" and resid 21 and name HB1 )) (( segid "alk1" and resid 21 and name HB2 )) 1.700 0.400 0.500 peak 249 spectrum 1 weight 0.11000E+01 volume 0.17141E-01 ppm1 3.981 ppm2 3.806 CV 1 ASSI { 250} (( segid "alk1" and resid 21 and name HB1 )) (( segid "alk1" and resid 21 and name HA )) 2.700 0.900 0.900 peak 250 spectrum 1 weight 0.11000E+01 volume 0.34851E-02 ppm1 3.982 ppm2 4.505 CV 1 ASSI { 251} (( segid "alk1" and resid 21 and name HB1 )) (( segid "alk1" and resid 49 and name HA )) 3.500 1.500 1.500 peak 251 spectrum 1 weight 0.11000E+01 volume 0.10684E-02 ppm1 3.986 ppm2 5.394 CV 1 ASSI { 256} (( segid "alk1" and resid 24 and name HA )) (( segid "alk1" and resid 24 and name HB1 )) 2.800 1.000 1.000 peak 256 spectrum 1 weight 0.11000E+01 volume 0.20067E-02 ppm1 4.364 ppm2 3.534 CV 1 ASSI { 257} (( segid "alk1" and resid 24 and name HA )) (( segid "alk1" and resid 24 and name HB2 )) 3.100 1.200 1.200 peak 257 spectrum 1 weight 0.11000E+01 volume 0.21932E-02 ppm1 4.364 ppm2 3.046 CV 1 ASSI { 260} (( segid "alk1" and resid 28 and name HA )) (( segid "alk1" and resid 19 and name HN )) 2.500 0.800 0.800 peak 260 spectrum 1 weight 0.11000E+01 volume 0.34395E-02 ppm1 5.359 ppm2 8.228 CV 1 ASSI { 262} (( segid "alk1" and resid 28 and name HA )) (( segid "alk1" and resid 29 and name HA )) 4.000 2.000 2.000 peak 262 spectrum 1 weight 0.11000E+01 volume 0.60651E-03 ppm1 5.357 ppm2 4.860 CV 1 ASSI { 263} (( segid "alk1" and resid 28 and name HA )) (( segid "alk1" and resid 19 and name HA )) 5.800 4.200 0.200 peak 263 spectrum 1 weight 0.11000E+01 volume 0.91044E-04 ppm1 5.361 ppm2 5.061 CV 1 ASSI { 265} (( segid "alk1" and resid 28 and name HA )) (( segid "alk1" and resid 28 and name HB )) 2.400 0.700 0.700 peak 265 spectrum 1 weight 0.11000E+01 volume 0.44878E-02 ppm1 5.359 ppm2 4.218 CV 1 ASSI { 267} (( segid "alk1" and resid 28 and name HA )) (( segid "alk1" and resid 19 and name HB1 )) 3.800 1.800 1.800 peak 267 spectrum 1 weight 0.11000E+01 volume 0.11970E-02 ppm1 5.361 ppm2 3.784 CV 1 ASSI { 268} (( segid "alk1" and resid 28 and name HA )) (( segid "alk1" and resid 24 and name HB1 )) 5.400 5.400 0.600 peak 268 spectrum 1 weight 0.11000E+01 volume 0.13089E-03 ppm1 5.365 ppm2 3.496 CV 1 ASSI { 269} (( segid "alk1" and resid 28 and name HA )) (( segid "alk1" and resid 29 and name HB1 )) 5.200 3.300 0.800 peak 269 spectrum 1 weight 0.11000E+01 volume 0.75603E-04 ppm1 5.356 ppm2 2.820 CV 1 ASSI { 271} (( segid "alk1" and resid 28 and name HA )) ( segid "alk1" and resid 16 and name HG2%) 3.500 1.500 1.500 peak 271 spectrum 1 weight 0.11000E+01 volume 0.16015E-02 ppm1 5.357 ppm2 1.162 CV 1 ASSI { 272} (( segid "alk1" and resid 28 and name HA )) ( segid "alk1" and resid 28 and name HG2%) 2.400 0.700 0.700 peak 272 spectrum 1 weight 0.11000E+01 volume 0.53118E-02 ppm1 5.359 ppm2 0.984 CV 1 ASSI { 273} (( segid "alk1" and resid 28 and name HA )) ( segid "alk1" and resid 77 and name HD2%) 4.100 2.100 1.900 peak 273 spectrum 1 weight 0.11000E+01 volume 0.72549E-04 ppm1 5.359 ppm2 0.543 CV 1 ASSI { 274} (( segid "alk1" and resid 28 and name HA )) (( segid "alk1" and resid 27 and name HG2 )) 5.600 5.600 0.400 peak 274 spectrum 1 weight 0.11000E+01 volume 0.78670E-04 ppm1 5.363 ppm2 1.991 CV 1 ASSI { 276} (( segid "alk1" and resid 30 and name HA )) (( segid "alk1" and resid 17 and name HN )) 3.800 1.800 1.800 peak 276 spectrum 1 weight 0.11000E+01 volume 0.18671E-02 ppm1 5.577 ppm2 9.152 CV 1 ASSI { 278} (( segid "alk1" and resid 30 and name HA )) (( segid "alk1" and resid 30 and name HN )) 3.000 1.100 1.100 peak 278 spectrum 1 weight 0.11000E+01 volume 0.12311E-02 ppm1 5.579 ppm2 8.491 CV 1 ASSI { 281} (( segid "alk1" and resid 30 and name HA )) (( segid "alk1" and resid 16 and name HA )) 2.600 0.800 0.800 peak 281 spectrum 1 weight 0.11000E+01 volume 0.25138E-02 ppm1 5.577 ppm2 4.883 CV 1 ASSI { 284} (( segid "alk1" and resid 30 and name HA )) ( segid "alk1" and resid 16 and name HG2%) 3.600 1.600 1.600 peak 284 spectrum 1 weight 0.11000E+01 volume 0.18158E-02 ppm1 5.583 ppm2 1.167 CV 1 ASSI { 285} (( segid "alk1" and resid 30 and name HA )) ( segid "alk1" and resid 15 and name HG1%) 3.700 1.700 1.700 peak 285 spectrum 1 weight 0.11000E+01 volume 0.86635E-03 ppm1 5.577 ppm2 0.772 CV 1 ASSI { 287} (( segid "alk1" and resid 30 and name HA )) (( segid "alk1" and resid 30 and name HB2 )) 3.100 3.100 2.900 peak 287 spectrum 1 weight 0.11000E+01 volume 0.16281E-02 ppm1 5.576 ppm2 1.531 CV 1 ASSI { 289} (( segid "alk1" and resid 31 and name HA1 )) (( segid "alk1" and resid 32 and name HA )) 2.600 2.600 3.400 peak 289 spectrum 1 weight 0.11000E+01 volume 0.75006E-02 ppm1 4.408 ppm2 4.417 CV 1 ASSI { 290} (( segid "alk1" and resid 31 and name HA1 )) (( segid "alk1" and resid 31 and name HA2 )) 1.800 0.400 0.400 peak 290 spectrum 1 weight 0.11000E+01 volume 0.10662E-01 ppm1 4.412 ppm2 3.328 CV 1 ASSI { 293} (( segid "alk1" and resid 31 and name HA1 )) ( segid "alk1" and resid 32 and name HB% ) 4.000 2.000 2.000 peak 293 spectrum 1 weight 0.11000E+01 volume 0.95640E-03 ppm1 4.426 ppm2 1.507 CV 1 ASSI { 294} (( segid "alk1" and resid 31 and name HA1 )) ( segid "alk1" and resid 15 and name HG2%) 4.200 2.200 1.800 peak 294 spectrum 1 weight 0.11000E+01 volume 0.60504E-03 ppm1 4.425 ppm2 0.755 CV 1 ASSI { 295} (( segid "alk1" and resid 31 and name HA1 )) ( segid "alk1" and resid 14 and name HD2%) 3.500 1.500 1.500 peak 295 spectrum 1 weight 0.11000E+01 volume 0.14887E-02 ppm1 4.408 ppm2 0.641 CV 1 ASSI { 298} (( segid "alk1" and resid 31 and name HA2 )) (( segid "alk1" and resid 52 and name HB1 )) 4.600 2.600 1.400 peak 298 spectrum 1 weight 0.11000E+01 volume 0.13448E-02 ppm1 3.331 ppm2 2.895 CV 1 ASSI { 300} (( segid "alk1" and resid 31 and name HA2 )) (( segid "alk1" and resid 54 and name HA )) 4.200 2.200 1.800 peak 300 spectrum 1 weight 0.11000E+01 volume 0.23532E-03 ppm1 3.330 ppm2 4.042 CV 1 ASSI { 302} (( segid "alk1" and resid 31 and name HA2 )) (( segid "alk1" and resid 52 and name HA )) 6.000 6.000 0.000 peak 302 spectrum 1 weight 0.11000E+01 volume 0.45006E-04 ppm1 3.335 ppm2 5.192 CV 1 ASSI { 303} (( segid "alk1" and resid 31 and name HA2 )) (( segid "alk1" and resid 30 and name HA )) 6.000 5.000 0.000 peak 303 spectrum 1 weight 0.11000E+01 volume 0.44107E-04 ppm1 3.326 ppm2 5.582 CV 1 ASSI { 305} (( segid "alk1" and resid 31 and name HA2 )) (( segid "alk1" and resid 54 and name HD22)) 5.100 3.300 0.900 peak 305 spectrum 1 weight 0.11000E+01 volume 0.85502E-04 ppm1 3.330 ppm2 7.446 CV 1 ASSI { 306} (( segid "alk1" and resid 31 and name HA2 )) (( segid "alk1" and resid 33 and name HN )) 5.000 3.100 1.000 peak 306 spectrum 1 weight 0.11000E+01 volume 0.93702E-03 ppm1 3.328 ppm2 7.829 CV 1 ASSI { 309} (( segid "alk1" and resid 31 and name HA2 )) (( segid "alk1" and resid 30 and name HB2 )) 5.200 3.300 0.800 peak 309 spectrum 1 weight 0.11000E+01 volume 0.64265E-04 ppm1 3.323 ppm2 1.610 CV 1 OR { 309} (( segid "alk1" and resid 31 and name HA2 )) (( segid "alk1" and resid 30 and name HB1 )) ASSI { 310} (( segid "alk1" and resid 31 and name HA2 )) ( segid "alk1" and resid 32 and name HB% ) 4.100 2.100 1.900 peak 310 spectrum 1 weight 0.11000E+01 volume 0.87008E-03 ppm1 3.331 ppm2 1.501 CV 1 ASSI { 312} (( segid "alk1" and resid 31 and name HA2 )) ( segid "alk1" and resid 14 and name HD2%) 2.900 1.100 1.100 peak 312 spectrum 1 weight 0.11000E+01 volume 0.14703E-02 ppm1 3.330 ppm2 0.641 CV 1 ASSI { 313} (( segid "alk1" and resid 32 and name HA )) ( segid "alk1" and resid 15 and name HG2%) 3.200 1.300 1.300 peak 313 spectrum 1 weight 0.11000E+01 volume 0.12385E-02 ppm1 4.414 ppm2 0.780 CV 1 ASSI { 314} (( segid "alk1" and resid 32 and name HA )) (( segid "alk1" and resid 33 and name HN )) 3.400 1.500 1.500 peak 314 spectrum 1 weight 0.11000E+01 volume 0.10715E-02 ppm1 4.410 ppm2 7.832 CV 1 ASSI { 315} (( segid "alk1" and resid 28 and name HB )) (( segid "alk1" and resid 17 and name HN )) 3.700 1.700 1.700 peak 315 spectrum 1 weight 0.11000E+01 volume 0.74590E-03 ppm1 4.219 ppm2 9.171 CV 1 ASSI { 318} (( segid "alk1" and resid 28 and name HB )) (( segid "alk1" and resid 29 and name HA )) 3.600 1.600 1.600 peak 318 spectrum 1 weight 0.11000E+01 volume 0.74151E-03 ppm1 4.219 ppm2 4.872 CV 1 ASSI { 320} (( segid "alk1" and resid 28 and name HB )) ( segid "alk1" and resid 77 and name HD2%) 2.700 2.700 3.300 peak 320 spectrum 1 weight 0.11000E+01 volume 0.79418E-03 ppm1 4.219 ppm2 0.536 CV 1 ASSI { 321} (( segid "alk1" and resid 28 and name HB )) (( segid "alk1" and resid 30 and name HG1 )) 5.200 3.400 0.800 peak 321 spectrum 1 weight 0.11000E+01 volume 0.99535E-04 ppm1 4.218 ppm2 1.616 CV 1 OR { 321} (( segid "alk1" and resid 28 and name HB )) (( segid "alk1" and resid 30 and name HG2 )) ASSI { 323} (( segid "alk1" and resid 29 and name HB1 )) (( segid "alk1" and resid 25 and name HN )) 2.800 2.800 3.200 peak 323 spectrum 1 weight 0.11000E+01 volume 0.65697E-03 ppm1 2.793 ppm2 8.866 CV 1 ASSI { 324} (( segid "alk1" and resid 29 and name HB1 )) (( segid "alk1" and resid 19 and name HB1 )) 3.700 1.700 1.700 peak 324 spectrum 1 weight 0.11000E+01 volume 0.51318E-03 ppm1 2.790 ppm2 3.786 CV 1 ASSI { 325} (( segid "alk1" and resid 29 and name HB1 )) (( segid "alk1" and resid 19 and name HB2 )) 2.900 1.000 1.000 peak 325 spectrum 1 weight 0.11000E+01 volume 0.12743E-02 ppm1 2.792 ppm2 1.610 CV 1 ASSI { 327} (( segid "alk1" and resid 29 and name HB2 )) (( segid "alk1" and resid 30 and name HB2 )) 3.800 1.800 1.800 peak 327 spectrum 1 weight 0.11000E+01 volume 0.11438E-02 ppm1 3.471 ppm2 1.615 CV 1 OR { 327} (( segid "alk1" and resid 29 and name HB2 )) (( segid "alk1" and resid 30 and name HB1 )) ASSI { 328} (( segid "alk1" and resid 29 and name HB2 )) (( segid "alk1" and resid 19 and name HB1 )) 3.900 3.900 2.100 peak 328 spectrum 1 weight 0.11000E+01 volume 0.97816E-04 ppm1 3.471 ppm2 3.782 CV 1 ASSI { 329} (( segid "alk1" and resid 34 and name HA )) (( segid "alk1" and resid 34 and name HN )) 3.000 1.100 1.100 peak 329 spectrum 1 weight 0.11000E+01 volume 0.97896E-03 ppm1 5.894 ppm2 9.305 CV 1 ASSI { 330} (( segid "alk1" and resid 34 and name HA )) (( segid "alk1" and resid 53 and name HN )) 3.400 1.400 1.400 peak 330 spectrum 1 weight 0.11000E+01 volume 0.11828E-02 ppm1 5.894 ppm2 8.683 CV 1 ASSI { 332} (( segid "alk1" and resid 34 and name HA )) (( segid "alk1" and resid 23 and name HE1 )) 4.200 2.200 1.800 peak 332 spectrum 1 weight 0.10000E+01 volume 0.54694E-03 ppm1 5.892 ppm2 8.063 CV 1 ASSI { 333} (( segid "alk1" and resid 34 and name HA )) (( segid "alk1" and resid 51 and name HN )) 5.300 3.500 0.700 peak 333 spectrum 1 weight 0.11000E+01 volume 0.91862E-04 ppm1 5.900 ppm2 8.210 CV 1 ASSI { 336} (( segid "alk1" and resid 34 and name HA )) (( segid "alk1" and resid 52 and name HA )) 2.500 0.800 0.800 peak 336 spectrum 1 weight 0.11000E+01 volume 0.35163E-02 ppm1 5.894 ppm2 5.197 CV 1 ASSI { 339} (( segid "alk1" and resid 34 and name HA )) ( segid "alk1" and resid 15 and name HG1%) 3.900 1.900 1.900 peak 339 spectrum 1 weight 0.11000E+01 volume 0.32152E-03 ppm1 5.892 ppm2 0.790 CV 1 ASSI { 340} (( segid "alk1" and resid 34 and name HA )) (( segid "alk1" and resid 34 and name HB1 )) 2.300 0.700 0.700 peak 340 spectrum 1 weight 0.11000E+01 volume 0.55502E-02 ppm1 5.894 ppm2 3.175 CV 1 OR { 340} (( segid "alk1" and resid 34 and name HA )) (( segid "alk1" and resid 34 and name HB2 )) ASSI { 341} (( segid "alk1" and resid 34 and name HA )) (( segid "alk1" and resid 33 and name HB2 )) 3.700 1.700 1.700 peak 341 spectrum 1 weight 0.11000E+01 volume 0.13837E-02 ppm1 5.891 ppm2 3.300 CV 1 ASSI { 342} (( segid "alk1" and resid 34 and name HA )) (( segid "alk1" and resid 52 and name HB1 )) 3.800 1.800 1.800 peak 342 spectrum 1 weight 0.11000E+01 volume 0.84949E-03 ppm1 5.894 ppm2 2.867 CV 1 ASSI { 343} (( segid "alk1" and resid 34 and name HA )) (( segid "alk1" and resid 17 and name HB1 )) 3.200 1.300 1.300 peak 343 spectrum 1 weight 0.11000E+01 volume 0.11575E-02 ppm1 5.893 ppm2 2.968 CV 1 ASSI { 345} (( segid "alk1" and resid 35 and name HA )) (( segid "alk1" and resid 35 and name HN )) 2.400 0.700 0.700 peak 345 spectrum 1 weight 0.11000E+01 volume 0.39897E-02 ppm1 5.919 ppm2 8.928 CV 1 ASSI { 346} (( segid "alk1" and resid 35 and name HA )) (( segid "alk1" and resid 36 and name HN )) 2.100 0.500 0.500 peak 346 spectrum 1 weight 0.11000E+01 volume 0.81687E-02 ppm1 5.917 ppm2 8.842 CV 1 ASSI { 348} (( segid "alk1" and resid 35 and name HA )) ( segid "alk1" and resid 71 and name HD% ) 5.100 3.300 0.900 peak 348 spectrum 1 weight 0.11000E+01 volume 0.94269E-04 ppm1 5.903 ppm2 6.866 CV 1 ASSI { 350} (( segid "alk1" and resid 35 and name HA )) (( segid "alk1" and resid 72 and name HA )) 1.900 0.500 0.500 peak 350 spectrum 1 weight 0.11000E+01 volume 0.12822E-01 ppm1 5.919 ppm2 5.804 CV 1 ASSI { 351} (( segid "alk1" and resid 35 and name HA )) (( segid "alk1" and resid 36 and name HA )) 4.200 2.200 1.800 peak 351 spectrum 1 weight 0.11000E+01 volume 0.39159E-03 ppm1 5.914 ppm2 4.776 CV 1 ASSI { 353} (( segid "alk1" and resid 35 and name HA )) (( segid "alk1" and resid 72 and name HB1 )) 4.200 2.200 1.800 peak 353 spectrum 1 weight 0.11000E+01 volume 0.59273E-03 ppm1 5.914 ppm2 2.921 CV 1 ASSI { 355} (( segid "alk1" and resid 35 and name HA )) (( segid "alk1" and resid 36 and name HB )) 5.700 4.000 0.300 peak 355 spectrum 1 weight 0.11000E+01 volume 0.13888E-03 ppm1 5.913 ppm2 1.937 CV 1 ASSI { 356} (( segid "alk1" and resid 35 and name HA )) ( segid "alk1" and resid 35 and name HG2%) 2.400 0.700 0.700 peak 356 spectrum 1 weight 0.11000E+01 volume 0.45998E-02 ppm1 5.919 ppm2 1.232 CV 1 ASSI { 357} (( segid "alk1" and resid 35 and name HA )) ( segid "alk1" and resid 36 and name HG1%) 3.600 1.600 1.600 peak 357 spectrum 1 weight 0.11000E+01 volume 0.91751E-03 ppm1 5.920 ppm2 1.137 CV 1 ASSI { 359} (( segid "alk1" and resid 35 and name HA )) ( segid "alk1" and resid 37 and name HG2%) 5.500 3.700 0.500 peak 359 spectrum 1 weight 0.11000E+01 volume 0.82794E-04 ppm1 5.919 ppm2 0.775 CV 1 ASSI { 360} (( segid "alk1" and resid 35 and name HA )) ( segid "alk1" and resid 36 and name HG2%) 6.000 6.000 0.000 peak 360 spectrum 1 weight 0.11000E+01 volume 0.39474E-04 ppm1 5.923 ppm2 0.887 CV 1 ASSI { 362} (( segid "alk1" and resid 35 and name HB )) ( segid "alk1" and resid 37 and name HG2%) 3.300 1.400 1.400 peak 362 spectrum 1 weight 0.11000E+01 volume 0.90052E-03 ppm1 4.017 ppm2 0.769 CV 1 ASSI { 363} (( segid "alk1" and resid 35 and name HB )) ( segid "alk1" and resid 36 and name HG1%) 4.400 2.400 1.600 peak 363 spectrum 1 weight 0.11000E+01 volume 0.43098E-03 ppm1 4.023 ppm2 1.130 CV 1 ASSI { 365} (( segid "alk1" and resid 35 and name HB )) (( segid "alk1" and resid 72 and name HA )) 4.400 2.400 1.600 peak 365 spectrum 1 weight 0.11000E+01 volume 0.51338E-03 ppm1 4.012 ppm2 5.806 CV 1 ASSI { 368} (( segid "alk1" and resid 39 and name HA )) ( segid "alk1" and resid 39 and name HG2%) 2.900 1.100 1.100 peak 368 spectrum 1 weight 0.11000E+01 volume 0.19244E-02 ppm1 4.373 ppm2 0.591 CV 1 ASSI { 369} (( segid "alk1" and resid 39 and name HA )) ( segid "alk1" and resid 39 and name HG1%) 2.800 1.000 1.000 peak 369 spectrum 1 weight 0.11000E+01 volume 0.26556E-02 ppm1 4.379 ppm2 0.791 CV 1 ASSI { 370} (( segid "alk1" and resid 39 and name HA )) (( segid "alk1" and resid 39 and name HB )) 3.100 1.200 1.200 peak 370 spectrum 1 weight 0.11000E+01 volume 0.14560E-02 ppm1 4.379 ppm2 1.729 CV 1 ASSI { 372} (( segid "alk1" and resid 42 and name HA )) (( segid "alk1" and resid 43 and name HA1 )) 3.500 1.500 1.500 peak 372 spectrum 1 weight 0.11000E+01 volume 0.21169E-02 ppm1 4.026 ppm2 3.742 CV 1 ASSI { 373} (( segid "alk1" and resid 42 and name HA )) (( segid "alk1" and resid 41 and name HA )) 4.200 2.200 1.800 peak 373 spectrum 1 weight 0.11000E+01 volume 0.47929E-03 ppm1 4.027 ppm2 4.394 CV 1 ASSI { 375} (( segid "alk1" and resid 42 and name HA )) (( segid "alk1" and resid 41 and name HB2 )) 4.900 3.000 1.100 peak 375 spectrum 1 weight 0.11000E+01 volume 0.23864E-03 ppm1 4.033 ppm2 1.778 CV 1 ASSI { 377} (( segid "alk1" and resid 42 and name HA )) (( segid "alk1" and resid 44 and name HN )) 3.700 1.700 1.700 peak 377 spectrum 1 weight 0.11000E+01 volume 0.11685E-02 ppm1 4.025 ppm2 7.906 CV 1 ASSI { 378} (( segid "alk1" and resid 43 and name HA1 )) (( segid "alk1" and resid 44 and name HN )) 3.000 1.100 1.100 peak 378 spectrum 1 weight 0.11000E+01 volume 0.18336E-02 ppm1 3.733 ppm2 7.905 CV 1 ASSI { 379} (( segid "alk1" and resid 43 and name HA1 )) (( segid "alk1" and resid 44 and name HA )) 3.600 1.700 1.700 peak 379 spectrum 1 weight 0.11000E+01 volume 0.85301E-03 ppm1 3.740 ppm2 4.591 CV 1 ASSI { 380} (( segid "alk1" and resid 43 and name HA1 )) (( segid "alk1" and resid 42 and name HG2 )) 4.100 2.100 1.900 peak 380 spectrum 1 weight 0.11000E+01 volume 0.12958E-03 ppm1 3.732 ppm2 2.244 CV 1 OR { 380} (( segid "alk1" and resid 43 and name HA1 )) (( segid "alk1" and resid 42 and name HG1 )) ASSI { 381} (( segid "alk1" and resid 43 and name HA1 )) (( segid "alk1" and resid 42 and name HB1 )) 3.300 3.300 2.700 peak 381 spectrum 1 weight 0.11000E+01 volume 0.27396E-03 ppm1 3.733 ppm2 1.953 CV 1 OR { 381} (( segid "alk1" and resid 43 and name HA1 )) (( segid "alk1" and resid 42 and name HB2 )) ASSI { 382} (( segid "alk1" and resid 43 and name HA1 )) (( segid "alk1" and resid 44 and name HG1 )) 3.900 1.900 1.900 peak 382 spectrum 1 weight 0.11000E+01 volume 0.51513E-03 ppm1 3.732 ppm2 1.513 CV 1 OR { 382} (( segid "alk1" and resid 43 and name HA1 )) (( segid "alk1" and resid 44 and name HG2 )) ASSI { 383} (( segid "alk1" and resid 48 and name HA )) (( segid "alk1" and resid 49 and name HN )) 2.100 0.500 0.500 peak 383 spectrum 1 weight 0.11000E+01 volume 0.10190E-01 ppm1 5.085 ppm2 9.200 CV 1 ASSI { 384} (( segid "alk1" and resid 48 and name HA )) (( segid "alk1" and resid 39 and name HN )) 3.500 1.500 1.500 peak 384 spectrum 1 weight 0.11000E+01 volume 0.15963E-02 ppm1 5.084 ppm2 8.880 CV 1 ASSI { 385} (( segid "alk1" and resid 48 and name HA )) (( segid "alk1" and resid 48 and name HN )) 2.800 1.000 1.000 peak 385 spectrum 1 weight 0.11000E+01 volume 0.21579E-02 ppm1 5.086 ppm2 8.752 CV 1 ASSI { 386} (( segid "alk1" and resid 48 and name HA )) (( segid "alk1" and resid 38 and name HA )) 2.200 0.600 0.600 peak 386 spectrum 1 weight 0.11000E+01 volume 0.68207E-02 ppm1 5.085 ppm2 4.889 CV 1 ASSI { 387} (( segid "alk1" and resid 48 and name HA )) (( segid "alk1" and resid 48 and name HG1 )) 2.500 0.800 0.800 peak 387 spectrum 1 weight 0.11000E+01 volume 0.49143E-02 ppm1 5.087 ppm2 2.025 CV 1 OR { 387} (( segid "alk1" and resid 48 and name HA )) (( segid "alk1" and resid 48 and name HG2 )) ASSI { 388} (( segid "alk1" and resid 48 and name HA )) (( segid "alk1" and resid 48 and name HB2 )) 2.300 0.600 0.600 peak 388 spectrum 1 weight 0.11000E+01 volume 0.76314E-02 ppm1 5.086 ppm2 1.822 CV 1 OR { 388} (( segid "alk1" and resid 48 and name HA )) (( segid "alk1" and resid 48 and name HB1 )) ASSI { 389} (( segid "alk1" and resid 48 and name HA )) ( segid "alk1" and resid 36 and name HG2%) 5.000 3.100 1.000 peak 389 spectrum 1 weight 0.11000E+01 volume 0.20113E-03 ppm1 5.083 ppm2 0.886 CV 1 ASSI { 391} (( segid "alk1" and resid 48 and name HA )) ( segid "alk1" and resid 38 and name HD1%) 2.500 0.800 0.800 peak 391 spectrum 1 weight 0.11000E+01 volume 0.45022E-02 ppm1 5.081 ppm2 0.769 CV 1 ASSI { 392} (( segid "alk1" and resid 49 and name HA )) (( segid "alk1" and resid 49 and name HN )) 2.900 1.100 1.100 peak 392 spectrum 1 weight 0.11000E+01 volume 0.15764E-02 ppm1 5.389 ppm2 9.197 CV 1 ASSI { 393} (( segid "alk1" and resid 49 and name HA )) (( segid "alk1" and resid 20 and name HN )) 5.100 3.200 0.900 peak 393 spectrum 1 weight 0.11000E+01 volume 0.13616E-03 ppm1 5.388 ppm2 9.087 CV 1 ASSI { 395} (( segid "alk1" and resid 49 and name HA )) (( segid "alk1" and resid 49 and name HD2 )) 3.000 1.100 1.100 peak 395 spectrum 1 weight 0.11000E+01 volume 0.13031E-02 ppm1 5.388 ppm2 7.017 CV 1 ASSI { 397} (( segid "alk1" and resid 49 and name HA )) (( segid "alk1" and resid 49 and name HB1 )) 2.200 0.600 0.600 peak 397 spectrum 1 weight 0.11000E+01 volume 0.49340E-02 ppm1 5.390 ppm2 3.146 CV 1 ASSI { 398} (( segid "alk1" and resid 49 and name HA )) (( segid "alk1" and resid 49 and name HB2 )) 2.800 1.000 1.000 peak 398 spectrum 1 weight 0.11000E+01 volume 0.29185E-02 ppm1 5.391 ppm2 3.036 CV 1 ASSI { 399} (( segid "alk1" and resid 49 and name HA )) (( segid "alk1" and resid 20 and name HB1 )) 3.700 1.700 1.700 peak 399 spectrum 1 weight 0.11000E+01 volume 0.28339E-03 ppm1 5.391 ppm2 2.032 CV 1 ASSI { 400} (( segid "alk1" and resid 49 and name HA )) (( segid "alk1" and resid 48 and name HB2 )) 2.800 2.800 3.200 peak 400 spectrum 1 weight 0.11000E+01 volume 0.13934E-02 ppm1 5.391 ppm2 1.831 CV 1 OR { 400} (( segid "alk1" and resid 49 and name HA )) (( segid "alk1" and resid 48 and name HB1 )) ASSI { 401} (( segid "alk1" and resid 49 and name HA )) (( segid "alk1" and resid 21 and name HB2 )) 4.600 2.700 1.400 peak 401 spectrum 1 weight 0.11000E+01 volume 0.19347E-03 ppm1 5.381 ppm2 3.806 CV 1 ASSI { 403} (( segid "alk1" and resid 49 and name HA )) (( segid "alk1" and resid 48 and name HA )) 4.300 2.300 1.700 peak 403 spectrum 1 weight 0.11000E+01 volume 0.41895E-03 ppm1 5.390 ppm2 5.086 CV 1 ASSI { 404} (( segid "alk1" and resid 49 and name HA )) (( segid "alk1" and resid 50 and name HA )) 4.200 2.200 1.800 peak 404 spectrum 1 weight 0.11000E+01 volume 0.44670E-03 ppm1 5.387 ppm2 5.223 CV 1 ASSI { 405} (( segid "alk1" and resid 49 and name HA )) (( segid "alk1" and resid 50 and name HG1 )) 5.300 3.500 0.700 peak 405 spectrum 1 weight 0.11000E+01 volume 0.11430E-03 ppm1 5.392 ppm2 1.489 CV 1 OR { 405} (( segid "alk1" and resid 49 and name HA )) (( segid "alk1" and resid 50 and name HG2 )) ASSI { 406} (( segid "alk1" and resid 50 and name HA )) (( segid "alk1" and resid 37 and name HN )) 3.600 1.600 1.600 peak 406 spectrum 1 weight 0.11000E+01 volume 0.10385E-02 ppm1 5.221 ppm2 9.054 CV 1 ASSI { 407} (( segid "alk1" and resid 50 and name HA )) (( segid "alk1" and resid 50 and name HN )) 2.900 1.000 1.000 peak 407 spectrum 1 weight 0.11000E+01 volume 0.12748E-02 ppm1 5.216 ppm2 8.847 CV 1 ASSI { 409} (( segid "alk1" and resid 50 and name HA )) (( segid "alk1" and resid 23 and name HE1 )) 3.200 1.300 1.300 peak 409 spectrum 1 weight 0.10000E+01 volume 0.12702E-02 ppm1 5.220 ppm2 8.074 CV 1 ASSI { 411} (( segid "alk1" and resid 50 and name HA )) (( segid "alk1" and resid 36 and name HA )) 2.500 0.800 0.800 peak 411 spectrum 1 weight 0.11000E+01 volume 0.24258E-02 ppm1 5.221 ppm2 4.758 CV 1 ASSI { 412} (( segid "alk1" and resid 50 and name HA )) ( segid "alk1" and resid 36 and name HG2%) 4.200 2.200 1.800 peak 412 spectrum 1 weight 0.11000E+01 volume 0.91024E-03 ppm1 5.220 ppm2 0.894 CV 1 ASSI { 413} (( segid "alk1" and resid 50 and name HA )) (( segid "alk1" and resid 50 and name HG1 )) 3.300 1.400 1.400 peak 413 spectrum 1 weight 0.11000E+01 volume 0.13059E-02 ppm1 5.225 ppm2 1.502 CV 1 OR { 413} (( segid "alk1" and resid 50 and name HA )) (( segid "alk1" and resid 50 and name HG2 )) ASSI { 414} (( segid "alk1" and resid 50 and name HA )) (( segid "alk1" and resid 50 and name HB2 )) 2.300 0.600 0.600 peak 414 spectrum 1 weight 0.11000E+01 volume 0.53568E-02 ppm1 5.219 ppm2 1.783 CV 1 OR { 414} (( segid "alk1" and resid 50 and name HA )) (( segid "alk1" and resid 50 and name HB1 )) ASSI { 415} (( segid "alk1" and resid 51 and name HA1 )) (( segid "alk1" and resid 20 and name HN )) 4.200 2.200 1.800 peak 415 spectrum 1 weight 0.11000E+01 volume 0.53222E-03 ppm1 4.467 ppm2 9.098 CV 1 ASSI { 417} (( segid "alk1" and resid 51 and name HA2 )) (( segid "alk1" and resid 20 and name HN )) 5.400 3.600 0.600 peak 417 spectrum 1 weight 0.11000E+01 volume 0.19468E-03 ppm1 3.851 ppm2 9.105 CV 1 ASSI { 419} (( segid "alk1" and resid 51 and name HA2 )) (( segid "alk1" and resid 52 and name HA )) 4.000 2.000 2.000 peak 419 spectrum 1 weight 0.11000E+01 volume 0.43192E-03 ppm1 3.857 ppm2 5.210 CV 1 ASSI { 421} (( segid "alk1" and resid 52 and name HA )) ( segid "alk1" and resid 35 and name HG2%) 4.100 2.100 1.900 peak 421 spectrum 1 weight 0.11000E+01 volume 0.69810E-03 ppm1 5.189 ppm2 1.232 CV 1 ASSI { 422} (( segid "alk1" and resid 52 and name HA )) (( segid "alk1" and resid 53 and name HA2 )) 5.400 3.700 0.600 peak 422 spectrum 1 weight 0.11000E+01 volume 0.15464E-03 ppm1 5.191 ppm2 2.249 CV 1 ASSI { 423} (( segid "alk1" and resid 52 and name HA )) (( segid "alk1" and resid 52 and name HB2 )) 2.800 1.000 1.000 peak 423 spectrum 1 weight 0.11000E+01 volume 0.25094E-02 ppm1 5.193 ppm2 2.443 CV 1 ASSI { 424} (( segid "alk1" and resid 52 and name HA )) (( segid "alk1" and resid 52 and name HB1 )) 2.600 0.900 0.900 peak 424 spectrum 1 weight 0.11000E+01 volume 0.23626E-02 ppm1 5.196 ppm2 2.890 CV 1 ASSI { 425} (( segid "alk1" and resid 52 and name HA )) (( segid "alk1" and resid 34 and name HB1 )) 3.300 1.400 1.400 peak 425 spectrum 1 weight 0.11000E+01 volume 0.25001E-03 ppm1 5.192 ppm2 3.183 CV 1 OR { 425} (( segid "alk1" and resid 52 and name HA )) (( segid "alk1" and resid 34 and name HB2 )) ASSI { 430} (( segid "alk1" and resid 52 and name HA )) (( segid "alk1" and resid 52 and name HN )) 3.100 1.200 1.200 peak 430 spectrum 1 weight 0.11000E+01 volume 0.11462E-02 ppm1 5.191 ppm2 8.328 CV 1 ASSI { 433} (( segid "alk1" and resid 52 and name HB1 )) (( segid "alk1" and resid 31 and name HN )) 3.200 1.300 1.300 peak 433 spectrum 1 weight 0.11000E+01 volume 0.10229E-02 ppm1 2.892 ppm2 8.854 CV 1 ASSI { 434} (( segid "alk1" and resid 52 and name HB1 )) (( segid "alk1" and resid 53 and name HN )) 4.000 2.000 2.000 peak 434 spectrum 1 weight 0.11000E+01 volume 0.99334E-03 ppm1 2.889 ppm2 8.681 CV 1 ASSI { 435} (( segid "alk1" and resid 52 and name HB1 )) (( segid "alk1" and resid 52 and name HN )) 2.700 0.900 0.900 peak 435 spectrum 1 weight 0.11000E+01 volume 0.25760E-02 ppm1 2.891 ppm2 8.329 CV 1 ASSI { 436} (( segid "alk1" and resid 52 and name HB1 )) (( segid "alk1" and resid 54 and name HD21)) 5.700 4.000 0.300 peak 436 spectrum 1 weight 0.11000E+01 volume 0.16148E-03 ppm1 2.892 ppm2 6.963 CV 1 ASSI { 440} (( segid "alk1" and resid 52 and name HB1 )) (( segid "alk1" and resid 31 and name HA1 )) 3.300 1.400 1.400 peak 440 spectrum 1 weight 0.11000E+01 volume 0.18787E-02 ppm1 2.892 ppm2 4.424 CV 1 ASSI { 441} (( segid "alk1" and resid 52 and name HB1 )) (( segid "alk1" and resid 51 and name HA2 )) 4.400 2.400 1.600 peak 441 spectrum 1 weight 0.11000E+01 volume 0.18723E-03 ppm1 2.892 ppm2 3.849 CV 1 ASSI { 442} (( segid "alk1" and resid 52 and name HB1 )) (( segid "alk1" and resid 29 and name HB2 )) 4.300 2.300 1.700 peak 442 spectrum 1 weight 0.11000E+01 volume 0.15150E-03 ppm1 2.894 ppm2 3.472 CV 1 ASSI { 445} (( segid "alk1" and resid 72 and name HB1 )) ( segid "alk1" and resid 35 and name HG2%) 4.300 4.300 1.700 peak 445 spectrum 1 weight 0.11000E+01 volume 0.11850E-03 ppm1 2.894 ppm2 1.229 CV 1 ASSI { 448} (( segid "alk1" and resid 52 and name HB2 )) (( segid "alk1" and resid 52 and name HN )) 3.100 1.200 1.200 peak 448 spectrum 1 weight 0.11000E+01 volume 0.15618E-02 ppm1 2.440 ppm2 8.326 CV 1 ASSI { 451} (( segid "alk1" and resid 52 and name HB2 )) (( segid "alk1" and resid 54 and name HD21)) 5.500 3.800 0.500 peak 451 spectrum 1 weight 0.11000E+01 volume 0.65120E-04 ppm1 2.438 ppm2 6.973 CV 1 ASSI { 453} (( segid "alk1" and resid 52 and name HB2 )) (( segid "alk1" and resid 31 and name HA1 )) 2.400 0.700 0.700 peak 453 spectrum 1 weight 0.11000E+01 volume 0.22264E-02 ppm1 2.440 ppm2 4.424 CV 1 ASSI { 454} (( segid "alk1" and resid 52 and name HB2 )) (( segid "alk1" and resid 51 and name HA2 )) 3.800 3.800 2.200 peak 454 spectrum 1 weight 0.11000E+01 volume 0.11527E-03 ppm1 2.442 ppm2 3.854 CV 1 ASSI { 455} (( segid "alk1" and resid 52 and name HB2 )) (( segid "alk1" and resid 31 and name HA2 )) 3.600 1.600 1.600 peak 455 spectrum 1 weight 0.11000E+01 volume 0.26498E-02 ppm1 2.440 ppm2 3.331 CV 1 ASSI { 456} (( segid "alk1" and resid 54 and name HA )) (( segid "alk1" and resid 54 and name HB2 )) 2.900 1.000 1.000 peak 456 spectrum 1 weight 0.11000E+01 volume 0.30539E-02 ppm1 4.028 ppm2 2.348 CV 1 ASSI { 457} (( segid "alk1" and resid 54 and name HA )) (( segid "alk1" and resid 31 and name HA1 )) 3.400 1.400 1.400 peak 457 spectrum 1 weight 0.11000E+01 volume 0.62837E-03 ppm1 4.026 ppm2 4.427 CV 1 ASSI { 460} (( segid "alk1" and resid 54 and name HA )) (( segid "alk1" and resid 33 and name HN )) 5.000 3.100 1.000 peak 460 spectrum 1 weight 0.11000E+01 volume 0.32735E-03 ppm1 4.025 ppm2 7.832 CV 1 ASSI { 461} (( segid "alk1" and resid 54 and name HA )) (( segid "alk1" and resid 32 and name HN )) 2.800 1.000 1.000 peak 461 spectrum 1 weight 0.11000E+01 volume 0.17968E-02 ppm1 4.028 ppm2 7.732 CV 1 ASSI { 462} (( segid "alk1" and resid 54 and name HA )) (( segid "alk1" and resid 54 and name HN )) 3.200 1.300 1.300 peak 462 spectrum 1 weight 0.11000E+01 volume 0.77933E-03 ppm1 4.032 ppm2 8.119 CV 1 ASSI { 463} (( segid "alk1" and resid 55 and name HB1 )) (( segid "alk1" and resid 56 and name HD2 )) 6.000 6.000 0.000 peak 463 spectrum 1 weight 0.10000E+01 volume 0.16704E-04 ppm1 1.522 ppm2 7.302 CV 1 ASSI { 465} (( segid "alk1" and resid 55 and name HB1 )) (( segid "alk1" and resid 55 and name HA )) 3.000 1.100 1.100 peak 465 spectrum 1 weight 0.11000E+01 volume 0.12003E-02 ppm1 1.522 ppm2 4.639 CV 1 ASSI { 466} (( segid "alk1" and resid 55 and name HB1 )) (( segid "alk1" and resid 11 and name HB2 )) 3.500 1.500 1.500 peak 466 spectrum 1 weight 0.11000E+01 volume 0.28500E-03 ppm1 1.527 ppm2 1.852 CV 1 ASSI { 468} (( segid "alk1" and resid 55 and name HB1 )) (( segid "alk1" and resid 55 and name HG )) 2.500 0.800 0.800 peak 468 spectrum 1 weight 0.11000E+01 volume 0.38408E-02 ppm1 1.522 ppm2 1.339 CV 1 ASSI { 469} (( segid "alk1" and resid 55 and name HB1 )) (( segid "alk1" and resid 55 and name HB2 )) 2.000 0.500 0.500 peak 469 spectrum 1 weight 0.11000E+01 volume 0.71892E-02 ppm1 1.522 ppm2 1.192 CV 1 ASSI { 470} (( segid "alk1" and resid 55 and name HB1 )) ( segid "alk1" and resid 55 and name HD1%) 3.000 1.200 1.200 peak 470 spectrum 1 weight 0.11000E+01 volume 0.36343E-02 ppm1 1.522 ppm2 0.835 CV 1 ASSI { 471} (( segid "alk1" and resid 55 and name HB2 )) (( segid "alk1" and resid 56 and name HD2 )) 6.000 5.200 0.000 peak 471 spectrum 1 weight 0.10000E+01 volume 0.18413E-04 ppm1 1.195 ppm2 7.315 CV 1 ASSI { 472} (( segid "alk1" and resid 55 and name HB2 )) (( segid "alk1" and resid 55 and name HG )) 2.700 0.900 0.900 peak 472 spectrum 1 weight 0.11000E+01 volume 0.36259E-02 ppm1 1.188 ppm2 1.335 CV 1 ASSI { 474} (( segid "alk1" and resid 55 and name HB2 )) ( segid "alk1" and resid 55 and name HD2%) 2.900 1.000 1.000 peak 474 spectrum 1 weight 0.11000E+01 volume 0.37409E-02 ppm1 1.190 ppm2 0.831 CV 1 ASSI { 476} (( segid "alk1" and resid 57 and name HA )) (( segid "alk1" and resid 57 and name HN )) 3.200 1.300 1.300 peak 476 spectrum 1 weight 0.11000E+01 volume 0.11331E-02 ppm1 3.322 ppm2 8.877 CV 1 ASSI { 477} (( segid "alk1" and resid 57 and name HA )) (( segid "alk1" and resid 60 and name HN )) 4.000 2.000 2.000 peak 477 spectrum 1 weight 0.11000E+01 volume 0.32454E-03 ppm1 3.322 ppm2 7.641 CV 1 ASSI { 479} (( segid "alk1" and resid 57 and name HA )) (( segid "alk1" and resid 33 and name HZ2 )) 3.100 1.200 1.200 peak 479 spectrum 1 weight 0.11000E+01 volume 0.14106E-02 ppm1 3.320 ppm2 7.024 CV 1 ASSI { 481} (( segid "alk1" and resid 57 and name HA )) (( segid "alk1" and resid 57 and name HD1 )) 2.800 1.000 1.000 peak 481 spectrum 1 weight 0.11000E+01 volume 0.24773E-02 ppm1 3.321 ppm2 1.964 CV 1 ASSI { 482} (( segid "alk1" and resid 57 and name HA )) (( segid "alk1" and resid 57 and name HD2 )) 3.000 1.200 1.200 peak 482 spectrum 1 weight 0.11000E+01 volume 0.13385E-02 ppm1 3.322 ppm2 1.677 CV 1 ASSI { 483} (( segid "alk1" and resid 57 and name HA )) (( segid "alk1" and resid 57 and name HB1 )) 3.000 1.100 1.100 peak 483 spectrum 1 weight 0.11000E+01 volume 0.27610E-02 ppm1 3.322 ppm2 1.494 CV 1 ASSI { 484} (( segid "alk1" and resid 57 and name HA )) (( segid "alk1" and resid 57 and name HB2 )) 2.500 0.800 0.800 peak 484 spectrum 1 weight 0.11000E+01 volume 0.31738E-02 ppm1 3.320 ppm2 1.310 CV 1 ASSI { 485} (( segid "alk1" and resid 57 and name HA )) (( segid "alk1" and resid 57 and name HG1 )) 3.200 1.300 1.300 peak 485 spectrum 1 weight 0.11000E+01 volume 0.12964E-02 ppm1 3.321 ppm2 1.185 CV 1 ASSI { 486} (( segid "alk1" and resid 57 and name HA )) (( segid "alk1" and resid 57 and name HG2 )) 3.200 1.300 1.300 peak 486 spectrum 1 weight 0.11000E+01 volume 0.20095E-02 ppm1 3.319 ppm2 0.758 CV 1 ASSI { 487} (( segid "alk1" and resid 58 and name HA )) (( segid "alk1" and resid 58 and name HN )) 2.800 1.000 1.000 peak 487 spectrum 1 weight 0.11000E+01 volume 0.22611E-02 ppm1 4.033 ppm2 9.758 CV 1 ASSI { 488} (( segid "alk1" and resid 58 and name HA )) (( segid "alk1" and resid 60 and name HN )) 3.200 1.200 1.200 peak 488 spectrum 1 weight 0.11000E+01 volume 0.11656E-02 ppm1 4.032 ppm2 7.636 CV 1 ASSI { 489} (( segid "alk1" and resid 58 and name HA )) (( segid "alk1" and resid 59 and name HN )) 3.300 1.400 1.400 peak 489 spectrum 1 weight 0.11000E+01 volume 0.97487E-03 ppm1 4.033 ppm2 7.343 CV 1 ASSI { 490} (( segid "alk1" and resid 58 and name HA )) (( segid "alk1" and resid 58 and name HG2 )) 3.300 1.400 1.400 peak 490 spectrum 1 weight 0.11000E+01 volume 0.20936E-02 ppm1 4.032 ppm2 2.455 CV 1 ASSI { 493} (( segid "alk1" and resid 59 and name HA )) (( segid "alk1" and resid 60 and name HN )) 3.600 1.600 1.600 peak 493 spectrum 1 weight 0.11000E+01 volume 0.51707E-03 ppm1 4.062 ppm2 7.635 CV 1 ASSI { 494} (( segid "alk1" and resid 59 and name HA )) (( segid "alk1" and resid 59 and name HN )) 3.100 1.200 1.200 peak 494 spectrum 1 weight 0.11000E+01 volume 0.11912E-02 ppm1 4.059 ppm2 7.345 CV 1 ASSI { 495} (( segid "alk1" and resid 59 and name HA )) (( segid "alk1" and resid 59 and name HB2 )) 3.400 1.500 1.500 peak 495 spectrum 1 weight 0.11000E+01 volume 0.12380E-02 ppm1 4.065 ppm2 1.400 CV 1 ASSI { 496} (( segid "alk1" and resid 59 and name HA )) (( segid "alk1" and resid 59 and name HG )) 3.500 1.500 1.500 peak 496 spectrum 1 weight 0.11000E+01 volume 0.93863E-03 ppm1 4.060 ppm2 1.537 CV 1 ASSI { 497} (( segid "alk1" and resid 59 and name HA )) (( segid "alk1" and resid 59 and name HB1 )) 2.700 0.900 0.900 peak 497 spectrum 1 weight 0.11000E+01 volume 0.22462E-02 ppm1 4.061 ppm2 0.884 CV 1 ASSI { 500} (( segid "alk1" and resid 60 and name HA )) (( segid "alk1" and resid 60 and name HB1 )) 2.400 2.400 3.600 peak 500 spectrum 1 weight 0.11000E+01 volume 0.66082E-02 ppm1 4.257 ppm2 2.811 CV 1 OR { 500} (( segid "alk1" and resid 60 and name HA )) (( segid "alk1" and resid 60 and name HB2 )) ASSI { 501} (( segid "alk1" and resid 60 and name HA )) (( segid "alk1" and resid 70 and name HD2 )) 3.500 1.500 1.500 peak 501 spectrum 1 weight 0.11000E+01 volume 0.80320E-03 ppm1 4.262 ppm2 6.905 CV 1 ASSI { 502} (( segid "alk1" and resid 65 and name HA )) (( segid "alk1" and resid 66 and name HN )) 3.200 1.300 1.300 peak 502 spectrum 1 weight 0.11000E+01 volume 0.13851E-02 ppm1 4.423 ppm2 8.346 CV 1 ASSI { 503} (( segid "alk1" and resid 65 and name HA )) (( segid "alk1" and resid 65 and name HN )) 3.000 1.100 1.100 peak 503 spectrum 1 weight 0.11000E+01 volume 0.16938E-02 ppm1 4.417 ppm2 7.954 CV 1 ASSI { 504} (( segid "alk1" and resid 66 and name HA )) (( segid "alk1" and resid 68 and name HN )) 3.700 1.700 1.700 peak 504 spectrum 1 weight 0.11000E+01 volume 0.77849E-03 ppm1 4.168 ppm2 7.779 CV 1 ASSI { 506} (( segid "alk1" and resid 69 and name HA )) ( segid "alk1" and resid 86 and name HD2%) 2.900 2.900 3.100 peak 506 spectrum 1 weight 0.11000E+01 volume 0.32144E-02 ppm1 4.905 ppm2 0.764 CV 1 ASSI { 507} (( segid "alk1" and resid 69 and name HA )) ( segid "alk1" and resid 68 and name HG1%) 2.600 2.600 3.400 peak 507 spectrum 1 weight 0.11000E+01 volume 0.65036E-02 ppm1 4.906 ppm2 0.928 CV 1 ASSI { 509} (( segid "alk1" and resid 70 and name HA )) (( segid "alk1" and resid 38 and name HN )) 3.800 1.800 1.800 peak 509 spectrum 1 weight 0.11000E+01 volume 0.13672E-02 ppm1 5.052 ppm2 8.452 CV 1 ASSI { 511} (( segid "alk1" and resid 70 and name HA )) (( segid "alk1" and resid 37 and name HA )) 2.500 0.800 0.800 peak 511 spectrum 1 weight 0.11000E+01 volume 0.35951E-02 ppm1 5.050 ppm2 4.791 CV 1 ASSI { 512} (( segid "alk1" and resid 70 and name HA )) (( segid "alk1" and resid 70 and name HB1 )) 2.600 0.900 0.900 peak 512 spectrum 1 weight 0.11000E+01 volume 0.25561E-02 ppm1 5.051 ppm2 3.341 CV 1 ASSI { 513} (( segid "alk1" and resid 70 and name HA )) (( segid "alk1" and resid 70 and name HB2 )) 2.600 0.800 0.800 peak 513 spectrum 1 weight 0.11000E+01 volume 0.34858E-02 ppm1 5.054 ppm2 3.000 CV 1 ASSI { 518} (( segid "alk1" and resid 72 and name HA )) (( segid "alk1" and resid 72 and name HN )) 3.100 1.200 1.200 peak 518 spectrum 1 weight 0.11000E+01 volume 0.10663E-02 ppm1 5.798 ppm2 7.901 CV 1 ASSI { 519} (( segid "alk1" and resid 72 and name HA )) (( segid "alk1" and resid 71 and name HA )) 5.300 3.500 0.700 peak 519 spectrum 1 weight 0.11000E+01 volume 0.94001E-04 ppm1 5.801 ppm2 4.941 CV 1 ASSI { 520} (( segid "alk1" and resid 72 and name HA )) (( segid "alk1" and resid 73 and name HA )) 5.900 5.900 0.100 peak 520 spectrum 1 weight 0.11000E+01 volume 0.62294E-04 ppm1 5.788 ppm2 4.815 CV 1 ASSI { 522} (( segid "alk1" and resid 72 and name HA )) (( segid "alk1" and resid 73 and name HB1 )) 5.600 3.900 0.400 peak 522 spectrum 1 weight 0.11000E+01 volume 0.15301E-03 ppm1 5.792 ppm2 3.169 CV 1 ASSI { 523} (( segid "alk1" and resid 72 and name HA )) (( segid "alk1" and resid 72 and name HB2 )) 3.200 1.300 1.300 peak 523 spectrum 1 weight 0.11000E+01 volume 0.18597E-02 ppm1 5.794 ppm2 2.705 CV 1 ASSI { 524} (( segid "alk1" and resid 72 and name HA )) (( segid "alk1" and resid 72 and name HB1 )) 2.400 0.700 0.700 peak 524 spectrum 1 weight 0.11000E+01 volume 0.34955E-02 ppm1 5.796 ppm2 2.895 CV 1 ASSI { 527} (( segid "alk1" and resid 72 and name HA )) ( segid "alk1" and resid 35 and name HG2%) 3.200 1.300 1.300 peak 527 spectrum 1 weight 0.11000E+01 volume 0.10673E-02 ppm1 5.794 ppm2 1.235 CV 1 ASSI { 529} (( segid "alk1" and resid 72 and name HB2 )) (( segid "alk1" and resid 72 and name HN )) 3.100 1.200 1.200 peak 529 spectrum 1 weight 0.11000E+01 volume 0.14760E-02 ppm1 2.705 ppm2 7.900 CV 1 ASSI { 530} (( segid "alk1" and resid 72 and name HB2 )) (( segid "alk1" and resid 33 and name HZ2 )) 4.000 4.000 2.000 peak 530 spectrum 1 weight 0.11000E+01 volume 0.51781E-03 ppm1 2.697 ppm2 7.064 CV 1 ASSI { 532} (( segid "alk1" and resid 72 and name HB2 )) (( segid "alk1" and resid 71 and name HA )) 3.300 3.300 2.700 peak 532 spectrum 1 weight 0.11000E+01 volume 0.26231E-03 ppm1 2.705 ppm2 4.940 CV 1 ASSI { 533} (( segid "alk1" and resid 72 and name HB2 )) (( segid "alk1" and resid 60 and name HA )) 3.200 3.200 2.800 peak 533 spectrum 1 weight 0.11000E+01 volume 0.30901E-03 ppm1 2.699 ppm2 4.263 CV 1 ASSI { 534} (( segid "alk1" and resid 72 and name HB2 )) (( segid "alk1" and resid 33 and name HB1 )) 5.500 3.800 0.500 peak 534 spectrum 1 weight 0.11000E+01 volume 0.10344E-03 ppm1 2.707 ppm2 3.532 CV 1 ASSI { 535} (( segid "alk1" and resid 72 and name HB2 )) (( segid "alk1" and resid 72 and name HB1 )) 1.900 0.400 0.400 peak 535 spectrum 1 weight 0.11000E+01 volume 0.11868E-01 ppm1 2.702 ppm2 2.892 CV 1 ASSI { 537} (( segid "alk1" and resid 72 and name HB2 )) (( segid "alk1" and resid 33 and name HB2 )) 5.400 3.600 0.600 peak 537 spectrum 1 weight 0.11000E+01 volume 0.66732E-04 ppm1 2.695 ppm2 3.303 CV 1 ASSI { 538} (( segid "alk1" and resid 73 and name HB2 )) (( segid "alk1" and resid 73 and name HN )) 3.600 1.600 1.600 peak 538 spectrum 1 weight 0.11000E+01 volume 0.38304E-03 ppm1 3.555 ppm2 8.842 CV 1 ASSI { 540} (( segid "alk1" and resid 73 and name HB2 )) (( segid "alk1" and resid 75 and name HN )) 4.700 2.800 1.300 peak 540 spectrum 1 weight 0.11000E+01 volume 0.48787E-03 ppm1 3.564 ppm2 7.640 CV 1 ASSI { 541} (( segid "alk1" and resid 73 and name HB2 )) ( segid "alk1" and resid 71 and name HE% ) 3.100 1.200 1.200 peak 541 spectrum 1 weight 0.11000E+01 volume 0.11587E-02 ppm1 3.561 ppm2 6.569 CV 1 ASSI { 542} (( segid "alk1" and resid 73 and name HB2 )) (( segid "alk1" and resid 74 and name HA )) 5.200 3.300 0.800 peak 542 spectrum 1 weight 0.11000E+01 volume 0.23100E-03 ppm1 3.559 ppm2 5.169 CV 1 ASSI { 543} (( segid "alk1" and resid 73 and name HB2 )) (( segid "alk1" and resid 73 and name HA )) 2.700 0.900 0.900 peak 543 spectrum 1 weight 0.11000E+01 volume 0.26197E-02 ppm1 3.560 ppm2 4.786 CV 1 ASSI { 544} (( segid "alk1" and resid 73 and name HB2 )) (( segid "alk1" and resid 78 and name HB1 )) 3.500 1.500 1.500 peak 544 spectrum 1 weight 0.11000E+01 volume 0.73880E-03 ppm1 3.560 ppm2 3.824 CV 1 ASSI { 545} (( segid "alk1" and resid 74 and name HA )) (( segid "alk1" and resid 34 and name HN )) 3.800 1.800 1.800 peak 545 spectrum 1 weight 0.11000E+01 volume 0.10902E-02 ppm1 5.166 ppm2 9.307 CV 1 ASSI { 548} (( segid "alk1" and resid 74 and name HA )) ( segid "alk1" and resid 15 and name HG2%) 2.700 2.700 3.300 peak 548 spectrum 1 weight 0.11000E+01 volume 0.38727E-02 ppm1 5.165 ppm2 0.789 CV 1 ASSI { 549} (( segid "alk1" and resid 74 and name HA )) (( segid "alk1" and resid 74 and name HB2 )) 2.600 0.800 0.800 peak 549 spectrum 1 weight 0.11000E+01 volume 0.43433E-02 ppm1 5.164 ppm2 2.666 CV 1 ASSI { 550} (( segid "alk1" and resid 74 and name HA )) (( segid "alk1" and resid 74 and name HB1 )) 2.500 0.800 0.800 peak 550 spectrum 1 weight 0.11000E+01 volume 0.55056E-02 ppm1 5.165 ppm2 2.914 CV 1 ASSI { 551} (( segid "alk1" and resid 74 and name HA )) (( segid "alk1" and resid 33 and name HB1 )) 3.100 1.200 1.200 peak 551 spectrum 1 weight 0.11000E+01 volume 0.11344E-02 ppm1 5.166 ppm2 3.533 CV 1 ASSI { 552} (( segid "alk1" and resid 74 and name HA )) (( segid "alk1" and resid 33 and name HB2 )) 3.100 1.200 1.200 peak 552 spectrum 1 weight 0.11000E+01 volume 0.13084E-02 ppm1 5.163 ppm2 3.307 CV 1 ASSI { 553} (( segid "alk1" and resid 74 and name HA )) (( segid "alk1" and resid 34 and name HB2 )) 4.300 4.300 1.700 peak 553 spectrum 1 weight 0.11000E+01 volume 0.50654E-03 ppm1 5.163 ppm2 3.187 CV 1 ASSI { 555} (( segid "alk1" and resid 74 and name HA )) (( segid "alk1" and resid 75 and name HA )) 3.800 1.800 1.800 peak 555 spectrum 1 weight 0.11000E+01 volume 0.53283E-03 ppm1 5.160 ppm2 4.894 CV 1 ASSI { 556} (( segid "alk1" and resid 75 and name HA )) ( segid "alk1" and resid 15 and name HG2%) 2.600 0.900 0.900 peak 556 spectrum 1 weight 0.11000E+01 volume 0.39169E-02 ppm1 4.896 ppm2 0.785 CV 1 ASSI { 558} (( segid "alk1" and resid 75 and name HA )) (( segid "alk1" and resid 75 and name HB2 )) 2.600 0.800 0.800 peak 558 spectrum 1 weight 0.11000E+01 volume 0.54184E-02 ppm1 4.899 ppm2 4.063 CV 1 ASSI { 561} (( segid "alk1" and resid 75 and name HA )) (( segid "alk1" and resid 76 and name HN )) 2.400 0.700 0.700 peak 561 spectrum 1 weight 0.11000E+01 volume 0.52964E-02 ppm1 4.900 ppm2 8.315 CV 1 ASSI { 562} (( segid "alk1" and resid 75 and name HB1 )) ( segid "alk1" and resid 15 and name HG1%) 4.700 2.800 1.300 peak 562 spectrum 1 weight 0.11000E+01 volume 0.25394E-03 ppm1 3.853 ppm2 0.779 CV 1 OR { 562} (( segid "alk1" and resid 75 and name HB1 )) ( segid "alk1" and resid 15 and name HG2%) ASSI { 563} (( segid "alk1" and resid 75 and name HB1 )) (( segid "alk1" and resid 75 and name HN )) 3.600 1.600 1.600 peak 563 spectrum 1 weight 0.11000E+01 volume 0.96341E-03 ppm1 3.851 ppm2 7.641 CV 1 ASSI { 565} (( segid "alk1" and resid 75 and name HB2 )) ( segid "alk1" and resid 15 and name HG1%) 3.900 1.900 1.900 peak 565 spectrum 1 weight 0.11000E+01 volume 0.70205E-03 ppm1 4.056 ppm2 0.791 CV 1 OR { 565} (( segid "alk1" and resid 75 and name HB2 )) ( segid "alk1" and resid 15 and name HG2%) ASSI { 566} (( segid "alk1" and resid 75 and name HB2 )) (( segid "alk1" and resid 76 and name HB1 )) 4.700 2.800 1.300 peak 566 spectrum 1 weight 0.11000E+01 volume 0.31566E-03 ppm1 4.061 ppm2 3.071 CV 1 ASSI { 568} (( segid "alk1" and resid 77 and name HA )) (( segid "alk1" and resid 77 and name HB1 )) 2.600 0.800 0.800 peak 568 spectrum 1 weight 0.11000E+01 volume 0.28299E-02 ppm1 3.772 ppm2 1.584 CV 1 OR { 568} (( segid "alk1" and resid 77 and name HA )) (( segid "alk1" and resid 77 and name HB2 )) ASSI { 570} (( segid "alk1" and resid 77 and name HA )) (( segid "alk1" and resid 17 and name HA )) 2.700 0.900 0.900 peak 570 spectrum 1 weight 0.11000E+01 volume 0.17113E-02 ppm1 3.771 ppm2 4.879 CV 1 ASSI { 571} (( segid "alk1" and resid 77 and name HA )) (( segid "alk1" and resid 76 and name HA )) 5.600 5.600 0.400 peak 571 spectrum 1 weight 0.11000E+01 volume 0.18765E-03 ppm1 3.765 ppm2 4.562 CV 1 ASSI { 572} (( segid "alk1" and resid 77 and name HA )) (( segid "alk1" and resid 78 and name HN )) 4.000 2.000 2.000 peak 572 spectrum 1 weight 0.11000E+01 volume 0.20851E-03 ppm1 3.765 ppm2 8.482 CV 1 ASSI { 577} (( segid "alk1" and resid 78 and name HB1 )) (( segid "alk1" and resid 78 and name HA )) 2.700 0.900 0.900 peak 577 spectrum 1 weight 0.11000E+01 volume 0.46125E-02 ppm1 3.840 ppm2 4.429 CV 1 ASSI { 578} (( segid "alk1" and resid 78 and name HB1 )) (( segid "alk1" and resid 78 and name HB2 )) 1.900 0.400 0.400 peak 578 spectrum 1 weight 0.11000E+01 volume 0.81872E-02 ppm1 3.836 ppm2 3.411 CV 1 ASSI { 579} (( segid "alk1" and resid 78 and name HB2 )) (( segid "alk1" and resid 78 and name HN )) 2.800 1.000 1.000 peak 579 spectrum 1 weight 0.11000E+01 volume 0.23398E-02 ppm1 3.408 ppm2 8.486 CV 1 ASSI { 581} (( segid "alk1" and resid 78 and name HB2 )) (( segid "alk1" and resid 78 and name HA )) 2.400 0.700 0.700 peak 581 spectrum 1 weight 0.11000E+01 volume 0.45770E-02 ppm1 3.407 ppm2 4.432 CV 1 ASSI { 582} (( segid "alk1" and resid 78 and name HB2 )) (( segid "alk1" and resid 73 and name HB1 )) 3.800 3.800 2.200 peak 582 spectrum 1 weight 0.11000E+01 volume 0.60034E-03 ppm1 3.408 ppm2 3.195 CV 1 ASSI { 585} (( segid "alk1" and resid 78 and name HB2 )) (( segid "alk1" and resid 75 and name HB2 )) 3.800 1.800 1.800 peak 585 spectrum 1 weight 0.11000E+01 volume 0.21942E-03 ppm1 3.413 ppm2 4.050 CV 1 ASSI { 586} (( segid "alk1" and resid 79 and name HA )) ( segid "alk1" and resid 82 and name HG2%) 4.200 2.200 1.800 peak 586 spectrum 1 weight 0.11000E+01 volume 0.75784E-03 ppm1 4.425 ppm2 0.203 CV 1 ASSI { 587} (( segid "alk1" and resid 79 and name HA )) ( segid "alk1" and resid 36 and name HG1%) 3.000 1.100 1.100 peak 587 spectrum 1 weight 0.11000E+01 volume 0.28109E-02 ppm1 4.425 ppm2 1.128 CV 1 ASSI { 588} (( segid "alk1" and resid 79 and name HA )) (( segid "alk1" and resid 82 and name HB )) 2.700 0.900 0.900 peak 588 spectrum 1 weight 0.11000E+01 volume 0.16688E-02 ppm1 4.424 ppm2 1.531 CV 1 ASSI { 589} (( segid "alk1" and resid 79 and name HA )) (( segid "alk1" and resid 79 and name HB1 )) 2.400 0.700 0.700 peak 589 spectrum 1 weight 0.11000E+01 volume 0.36246E-02 ppm1 4.424 ppm2 3.275 CV 1 ASSI { 590} (( segid "alk1" and resid 79 and name HA )) (( segid "alk1" and resid 34 and name HB1 )) 3.200 1.300 1.300 peak 590 spectrum 1 weight 0.11000E+01 volume 0.15396E-02 ppm1 4.420 ppm2 3.173 CV 1 OR { 590} (( segid "alk1" and resid 79 and name HA )) (( segid "alk1" and resid 34 and name HB2 )) ASSI { 591} (( segid "alk1" and resid 79 and name HA )) (( segid "alk1" and resid 79 and name HN )) 2.800 1.000 1.000 peak 591 spectrum 1 weight 0.11000E+01 volume 0.16944E-02 ppm1 4.419 ppm2 8.433 CV 1 ASSI { 592} (( segid "alk1" and resid 80 and name HA )) (( segid "alk1" and resid 81 and name HN )) 3.000 1.100 1.100 peak 592 spectrum 1 weight 0.11000E+01 volume 0.18408E-02 ppm1 4.166 ppm2 8.451 CV 1 ASSI { 593} (( segid "alk1" and resid 80 and name HA )) (( segid "alk1" and resid 80 and name HN )) 2.800 1.000 1.000 peak 593 spectrum 1 weight 0.11000E+01 volume 0.21989E-02 ppm1 4.167 ppm2 7.766 CV 1 ASSI { 594} (( segid "alk1" and resid 80 and name HA )) (( segid "alk1" and resid 80 and name HD2 )) 4.800 2.900 1.200 peak 594 spectrum 1 weight 0.11000E+01 volume 0.13192E-03 ppm1 4.163 ppm2 7.270 CV 1 ASSI { 595} (( segid "alk1" and resid 80 and name HA )) ( segid "alk1" and resid 18 and name HG2%) 3.200 1.300 1.300 peak 595 spectrum 1 weight 0.11000E+01 volume 0.23627E-02 ppm1 4.167 ppm2 1.221 CV 1 ASSI { 596} (( segid "alk1" and resid 80 and name HA )) (( segid "alk1" and resid 80 and name HB1 )) 2.700 0.900 0.900 peak 596 spectrum 1 weight 0.11000E+01 volume 0.48673E-02 ppm1 4.166 ppm2 3.202 CV 1 ASSI { 597} (( segid "alk1" and resid 80 and name HA )) (( segid "alk1" and resid 80 and name HB2 )) 2.400 0.700 0.700 peak 597 spectrum 1 weight 0.11000E+01 volume 0.40017E-02 ppm1 4.167 ppm2 3.383 CV 1 ASSI { 598} (( segid "alk1" and resid 80 and name HA )) (( segid "alk1" and resid 18 and name HB )) 2.700 0.900 0.900 peak 598 spectrum 1 weight 0.11000E+01 volume 0.23257E-02 ppm1 4.166 ppm2 3.482 CV 1 ASSI { 600} (( segid "alk1" and resid 82 and name HA )) (( segid "alk1" and resid 82 and name HB )) 2.700 0.900 0.900 peak 600 spectrum 1 weight 0.11000E+01 volume 0.22137E-02 ppm1 3.845 ppm2 1.534 CV 1 ASSI { 601} (( segid "alk1" and resid 82 and name HA )) (( segid "alk1" and resid 81 and name HB1 )) 5.000 3.100 1.000 peak 601 spectrum 1 weight 0.11000E+01 volume 0.12136E-03 ppm1 3.842 ppm2 2.726 CV 1 ASSI { 603} (( segid "alk1" and resid 83 and name HB1 )) (( segid "alk1" and resid 85 and name HN )) 4.300 2.300 1.700 peak 603 spectrum 1 weight 0.11000E+01 volume 0.23232E-03 ppm1 3.647 ppm2 7.814 CV 1 ASSI { 604} (( segid "alk1" and resid 83 and name HB1 )) (( segid "alk1" and resid 83 and name HA )) 2.500 0.800 0.800 peak 604 spectrum 1 weight 0.11000E+01 volume 0.36132E-02 ppm1 3.648 ppm2 4.847 CV 1 ASSI { 605} (( segid "alk1" and resid 83 and name HB1 )) ( segid "alk1" and resid 85 and name HG1%) 3.300 1.400 1.400 peak 605 spectrum 1 weight 0.11000E+01 volume 0.94601E-03 ppm1 3.645 ppm2 0.785 CV 1 ASSI { 606} (( segid "alk1" and resid 83 and name HB1 )) (( segid "alk1" and resid 84 and name HB2 )) 4.000 2.000 2.000 peak 606 spectrum 1 weight 0.11000E+01 volume 0.92985E-03 ppm1 3.647 ppm2 1.523 CV 1 OR { 606} (( segid "alk1" and resid 83 and name HB1 )) (( segid "alk1" and resid 84 and name HB1 )) ASSI { 607} (( segid "alk1" and resid 83 and name HB1 )) (( segid "alk1" and resid 92 and name HG2 )) 3.600 1.700 1.700 peak 607 spectrum 1 weight 0.11000E+01 volume 0.60396E-03 ppm1 3.642 ppm2 1.992 CV 1 OR { 607} (( segid "alk1" and resid 83 and name HB1 )) (( segid "alk1" and resid 92 and name HG1 )) ASSI { 608} (( segid "alk1" and resid 83 and name HB2 )) ( segid "alk1" and resid 85 and name HG1%) 3.600 1.600 1.600 peak 608 spectrum 1 weight 0.11000E+01 volume 0.87557E-03 ppm1 3.576 ppm2 0.784 CV 1 ASSI { 609} (( segid "alk1" and resid 83 and name HB2 )) (( segid "alk1" and resid 84 and name HB2 )) 3.800 1.800 1.800 peak 609 spectrum 1 weight 0.11000E+01 volume 0.79756E-03 ppm1 3.578 ppm2 1.513 CV 1 OR { 609} (( segid "alk1" and resid 83 and name HB2 )) (( segid "alk1" and resid 84 and name HB1 )) ASSI { 610} (( segid "alk1" and resid 83 and name HB2 )) (( segid "alk1" and resid 92 and name HG2 )) 3.900 1.900 1.900 peak 610 spectrum 1 weight 0.11000E+01 volume 0.58073E-03 ppm1 3.563 ppm2 2.001 CV 1 OR { 610} (( segid "alk1" and resid 83 and name HB2 )) (( segid "alk1" and resid 92 and name HG1 )) ASSI { 611} (( segid "alk1" and resid 83 and name HB2 )) (( segid "alk1" and resid 83 and name HA )) 2.800 1.000 1.000 peak 611 spectrum 1 weight 0.11000E+01 volume 0.34576E-02 ppm1 3.576 ppm2 4.847 CV 1 ASSI { 614} (( segid "alk1" and resid 83 and name HB2 )) (( segid "alk1" and resid 84 and name HN )) 4.300 2.400 1.700 peak 614 spectrum 1 weight 0.11000E+01 volume 0.43507E-03 ppm1 3.578 ppm2 9.636 CV 1 ASSI { 615} (( segid "alk1" and resid 84 and name HA )) (( segid "alk1" and resid 84 and name HG )) 3.100 1.200 1.200 peak 615 spectrum 1 weight 0.11000E+01 volume 0.13123E-02 ppm1 4.358 ppm2 1.415 CV 1 ASSI { 616} (( segid "alk1" and resid 84 and name HA )) (( segid "alk1" and resid 84 and name HB1 )) 2.500 0.800 0.800 peak 616 spectrum 1 weight 0.11000E+01 volume 0.47081E-02 ppm1 4.363 ppm2 1.538 CV 1 OR { 616} (( segid "alk1" and resid 84 and name HA )) (( segid "alk1" and resid 84 and name HB2 )) ASSI { 619} (( segid "alk1" and resid 85 and name HA )) (( segid "alk1" and resid 84 and name HB1 )) 2.800 2.800 3.200 peak 619 spectrum 1 weight 0.11000E+01 volume 0.15303E-02 ppm1 3.941 ppm2 1.517 CV 1 OR { 619} (( segid "alk1" and resid 85 and name HA )) (( segid "alk1" and resid 84 and name HB2 )) ASSI { 621} (( segid "alk1" and resid 86 and name HA )) ( segid "alk1" and resid 86 and name HD2%) 2.800 1.000 1.000 peak 621 spectrum 1 weight 0.11000E+01 volume 0.33009E-02 ppm1 4.291 ppm2 0.752 CV 1 ASSI { 622} (( segid "alk1" and resid 86 and name HA )) (( segid "alk1" and resid 86 and name HB1 )) 2.700 0.900 0.900 peak 622 spectrum 1 weight 0.11000E+01 volume 0.32321E-02 ppm1 4.292 ppm2 1.508 CV 1 OR { 622} (( segid "alk1" and resid 86 and name HA )) (( segid "alk1" and resid 86 and name HB2 )) ASSI { 623} (( segid "alk1" and resid 87 and name HA )) (( segid "alk1" and resid 87 and name HN )) 2.700 0.900 0.900 peak 623 spectrum 1 weight 0.11000E+01 volume 0.29629E-02 ppm1 4.180 ppm2 8.057 CV 1 ASSI { 624} (( segid "alk1" and resid 87 and name HA )) (( segid "alk1" and resid 87 and name HG2 )) 2.900 1.100 1.100 peak 624 spectrum 1 weight 0.11000E+01 volume 0.24563E-02 ppm1 4.180 ppm2 2.198 CV 1 OR { 624} (( segid "alk1" and resid 87 and name HA )) (( segid "alk1" and resid 87 and name HG1 )) ASSI { 625} (( segid "alk1" and resid 87 and name HA )) ( segid "alk1" and resid 88 and name HB% ) 4.100 2.100 1.900 peak 625 spectrum 1 weight 0.11000E+01 volume 0.53410E-03 ppm1 4.181 ppm2 1.345 CV 1 ASSI { 626} (( segid "alk1" and resid 89 and name HA )) ( segid "alk1" and resid 88 and name HB% ) 3.200 1.300 1.300 peak 626 spectrum 1 weight 0.11000E+01 volume 0.28045E-03 ppm1 4.262 ppm2 1.324 CV 1 ASSI { 627} (( segid "alk1" and resid 89 and name HA )) (( segid "alk1" and resid 92 and name HG1 )) 3.500 3.500 2.500 peak 627 spectrum 1 weight 0.11000E+01 volume 0.82636E-03 ppm1 4.264 ppm2 1.997 CV 1 OR { 627} (( segid "alk1" and resid 89 and name HA )) (( segid "alk1" and resid 92 and name HG2 )) ASSI { 628} (( segid "alk1" and resid 89 and name HA )) (( segid "alk1" and resid 89 and name HN )) 3.000 1.100 1.100 peak 628 spectrum 1 weight 0.11000E+01 volume 0.16398E-02 ppm1 4.261 ppm2 7.991 CV 1 ASSI { 629} (( segid "alk1" and resid 89 and name HB )) (( segid "alk1" and resid 90 and name HG1 )) 4.300 2.300 1.700 peak 629 spectrum 1 weight 0.11000E+01 volume 0.30781E-03 ppm1 4.145 ppm2 2.375 CV 1 OR { 629} (( segid "alk1" and resid 89 and name HB )) (( segid "alk1" and resid 90 and name HG2 )) ASSI { 631} (( segid "alk1" and resid 89 and name HB )) (( segid "alk1" and resid 90 and name HN )) 3.400 1.400 1.400 peak 631 spectrum 1 weight 0.11000E+01 volume 0.15093E-02 ppm1 4.145 ppm2 8.225 CV 1 ASSI { 644} (( segid "alk1" and resid 14 and name HB1 )) (( segid "alk1" and resid 15 and name HN )) 3.300 1.300 1.300 peak 644 spectrum 1 weight 0.11000E+01 volume 0.78975E-03 ppm1 1.573 ppm2 9.112 CV 1 ASSI { 645} (( segid "alk1" and resid 14 and name HB1 )) (( segid "alk1" and resid 14 and name HA )) 2.800 1.000 1.000 peak 645 spectrum 1 weight 0.11000E+01 volume 0.17181E-02 ppm1 1.576 ppm2 4.517 CV 1 ASSI { 646} (( segid "alk1" and resid 14 and name HB1 )) ( segid "alk1" and resid 14 and name HD1%) 2.800 1.000 1.000 peak 646 spectrum 1 weight 0.11000E+01 volume 0.27510E-02 ppm1 1.576 ppm2 0.760 CV 1 ASSI { 649} (( segid "alk1" and resid 14 and name HB2 )) ( segid "alk1" and resid 14 and name HD1%) 2.800 1.000 1.000 peak 649 spectrum 1 weight 0.11000E+01 volume 0.23888E-02 ppm1 1.219 ppm2 0.761 CV 1 ASSI { 650} (( segid "alk1" and resid 14 and name HB2 )) (( segid "alk1" and resid 14 and name HA )) 3.300 1.400 1.400 peak 650 spectrum 1 weight 0.11000E+01 volume 0.11443E-02 ppm1 1.219 ppm2 4.514 CV 1 ASSI { 656} (( segid "alk1" and resid 38 and name HB1 )) (( segid "alk1" and resid 38 and name HA )) 3.300 1.400 1.400 peak 656 spectrum 1 weight 0.11000E+01 volume 0.12036E-02 ppm1 1.670 ppm2 4.890 CV 1 ASSI { 657} (( segid "alk1" and resid 38 and name HB1 )) (( segid "alk1" and resid 69 and name HB2 )) 3.400 1.500 1.500 peak 657 spectrum 1 weight 0.11000E+01 volume 0.65794E-03 ppm1 1.668 ppm2 2.971 CV 1 ASSI { 658} (( segid "alk1" and resid 38 and name HB1 )) ( segid "alk1" and resid 38 and name HD2%) 2.600 0.800 0.800 peak 658 spectrum 1 weight 0.11000E+01 volume 0.31723E-02 ppm1 1.670 ppm2 0.770 CV 1 ASSI { 659} (( segid "alk1" and resid 38 and name HB1 )) (( segid "alk1" and resid 38 and name HB2 )) 1.900 0.400 0.400 peak 659 spectrum 1 weight 0.11000E+01 volume 0.74718E-02 ppm1 1.670 ppm2 1.446 CV 1 ASSI { 662} (( segid "alk1" and resid 38 and name HB2 )) (( segid "alk1" and resid 38 and name HA )) 2.900 1.000 1.000 peak 662 spectrum 1 weight 0.11000E+01 volume 0.10587E-02 ppm1 1.451 ppm2 4.887 CV 1 ASSI { 664} (( segid "alk1" and resid 83 and name HB1 )) ( segid "alk1" and resid 84 and name HD2%) 5.600 3.900 0.400 peak 664 spectrum 1 weight 0.11000E+01 volume 0.90987E-04 ppm1 3.651 ppm2 0.558 CV 1 ASSI { 665} (( segid "alk1" and resid 83 and name HB1 )) ( segid "alk1" and resid 82 and name HG2%) 6.000 4.600 0.000 peak 665 spectrum 1 weight 0.11000E+01 volume 0.11110E-03 ppm1 3.645 ppm2 0.198 CV 1 ASSI { 666} (( segid "alk1" and resid 22 and name HD1 )) (( segid "alk1" and resid 21 and name HN )) 3.400 1.400 1.400 peak 666 spectrum 1 weight 0.11000E+01 volume 0.27255E-03 ppm1 3.343 ppm2 7.764 CV 1 ASSI { 667} (( segid "alk1" and resid 22 and name HD1 )) (( segid "alk1" and resid 23 and name HE1 )) 6.000 4.800 0.000 peak 667 spectrum 1 weight 0.10000E+01 volume 0.10386E-03 ppm1 3.332 ppm2 8.068 CV 1 ASSI { 668} (( segid "alk1" and resid 22 and name HD1 )) (( segid "alk1" and resid 23 and name HN )) 6.000 5.400 0.000 peak 668 spectrum 1 weight 0.11000E+01 volume 0.59736E-04 ppm1 3.335 ppm2 7.896 CV 1 ASSI { 671} (( segid "alk1" and resid 22 and name HD1 )) (( segid "alk1" and resid 23 and name HA )) 4.500 4.500 1.500 peak 671 spectrum 1 weight 0.11000E+01 volume 0.13031E-02 ppm1 3.338 ppm2 4.631 CV 1 ASSI { 673} (( segid "alk1" and resid 22 and name HD1 )) (( segid "alk1" and resid 19 and name HB1 )) 2.400 2.400 3.600 peak 673 spectrum 1 weight 0.11000E+01 volume 0.54580E-02 ppm1 3.341 ppm2 3.806 CV 1 ASSI { 676} (( segid "alk1" and resid 22 and name HD1 )) (( segid "alk1" and resid 24 and name HB2 )) 3.100 1.200 1.200 peak 676 spectrum 1 weight 0.11000E+01 volume 0.15794E-02 ppm1 3.349 ppm2 3.062 CV 1 ASSI { 677} (( segid "alk1" and resid 22 and name HD1 )) (( segid "alk1" and resid 22 and name HB1 )) 4.000 2.000 2.000 peak 677 spectrum 1 weight 0.11000E+01 volume 0.64191E-03 ppm1 3.339 ppm2 2.276 CV 1 ASSI { 679} (( segid "alk1" and resid 22 and name HD1 )) (( segid "alk1" and resid 22 and name HG1 )) 2.400 0.700 0.700 peak 679 spectrum 1 weight 0.11000E+01 volume 0.23671E-02 ppm1 3.340 ppm2 1.709 CV 1 ASSI { 680} (( segid "alk1" and resid 22 and name HD1 )) (( segid "alk1" and resid 22 and name HB2 )) 4.300 2.300 1.700 peak 680 spectrum 1 weight 0.11000E+01 volume 0.81764E-03 ppm1 3.342 ppm2 1.468 CV 1 ASSI { 681} (( segid "alk1" and resid 22 and name HD1 )) (( segid "alk1" and resid 19 and name HB2 )) 6.000 6.000 0.000 peak 681 spectrum 1 weight 0.11000E+01 volume 0.63387E-04 ppm1 3.328 ppm2 1.578 CV 1 ASSI { 682} (( segid "alk1" and resid 22 and name HD1 )) (( segid "alk1" and resid 20 and name HB1 )) 5.000 5.000 1.000 peak 682 spectrum 1 weight 0.11000E+01 volume 0.10911E-03 ppm1 3.351 ppm2 2.020 CV 1 ASSI { 684} (( segid "alk1" and resid 22 and name HD2 )) (( segid "alk1" and resid 23 and name HD2 )) 6.000 5.200 0.000 peak 684 spectrum 1 weight 0.11000E+01 volume 0.49602E-04 ppm1 3.192 ppm2 7.052 CV 1 ASSI { 685} (( segid "alk1" and resid 22 and name HD2 )) (( segid "alk1" and resid 23 and name HE1 )) 5.100 3.300 0.900 peak 685 spectrum 1 weight 0.11000E+01 volume 0.27125E-03 ppm1 3.188 ppm2 8.069 CV 1 ASSI { 687} (( segid "alk1" and resid 22 and name HD2 )) (( segid "alk1" and resid 23 and name HN )) 4.000 2.000 2.000 peak 687 spectrum 1 weight 0.11000E+01 volume 0.10240E-03 ppm1 3.179 ppm2 7.912 CV 1 ASSI { 691} (( segid "alk1" and resid 27 and name HD1 )) (( segid "alk1" and resid 27 and name HA )) 5.400 3.600 0.600 peak 691 spectrum 1 weight 0.11000E+01 volume 0.72116E-04 ppm1 3.543 ppm2 4.815 CV 1 ASSI { 693} (( segid "alk1" and resid 27 and name HD1 )) (( segid "alk1" and resid 25 and name HA )) 3.400 1.400 1.400 peak 693 spectrum 1 weight 0.11000E+01 volume 0.14311E-02 ppm1 3.541 ppm2 4.414 CV 1 ASSI { 694} (( segid "alk1" and resid 27 and name HD1 )) (( segid "alk1" and resid 26 and name HA2 )) 2.500 0.800 0.800 peak 694 spectrum 1 weight 0.11000E+01 volume 0.90524E-02 ppm1 3.544 ppm2 4.186 CV 1 ASSI { 695} (( segid "alk1" and resid 27 and name HD1 )) (( segid "alk1" and resid 22 and name HD2 )) 3.400 3.400 2.600 peak 695 spectrum 1 weight 0.11000E+01 volume 0.21750E-03 ppm1 3.540 ppm2 3.139 CV 1 ASSI { 696} (( segid "alk1" and resid 27 and name HD1 )) (( segid "alk1" and resid 22 and name HD1 )) 3.500 3.500 2.500 peak 696 spectrum 1 weight 0.11000E+01 volume 0.16869E-03 ppm1 3.538 ppm2 3.320 CV 1 ASSI { 697} (( segid "alk1" and resid 27 and name HD1 )) (( segid "alk1" and resid 27 and name HB1 )) 3.300 1.400 1.400 peak 697 spectrum 1 weight 0.11000E+01 volume 0.12961E-02 ppm1 3.541 ppm2 2.372 CV 1 ASSI { 698} (( segid "alk1" and resid 27 and name HD1 )) (( segid "alk1" and resid 25 and name HB2 )) 5.100 3.200 0.900 peak 698 spectrum 1 weight 0.11000E+01 volume 0.89951E-04 ppm1 3.547 ppm2 1.733 CV 1 ASSI { 700} (( segid "alk1" and resid 27 and name HD1 )) (( segid "alk1" and resid 27 and name HG2 )) 2.500 2.500 3.500 peak 700 spectrum 1 weight 0.11000E+01 volume 0.35699E-02 ppm1 3.544 ppm2 1.993 CV 1 OR { 700} (( segid "alk1" and resid 27 and name HD1 )) (( segid "alk1" and resid 27 and name HG1 )) ASSI { 701} (( segid "alk1" and resid 27 and name HD2 )) (( segid "alk1" and resid 28 and name HN )) 3.300 1.400 1.400 peak 701 spectrum 1 weight 0.11000E+01 volume 0.11026E-02 ppm1 3.792 ppm2 7.604 CV 1 ASSI { 705} (( segid "alk1" and resid 46 and name HD2 )) (( segid "alk1" and resid 46 and name HA )) 3.200 1.300 1.300 peak 705 spectrum 1 weight 0.11000E+01 volume 0.17608E-02 ppm1 3.447 ppm2 4.628 CV 1 ASSI { 706} (( segid "alk1" and resid 46 and name HD2 )) (( segid "alk1" and resid 41 and name HA )) 4.000 4.000 2.000 peak 706 spectrum 1 weight 0.11000E+01 volume 0.81734E-04 ppm1 3.443 ppm2 4.441 CV 1 ASSI { 708} (( segid "alk1" and resid 46 and name HD2 )) (( segid "alk1" and resid 46 and name HB2 )) 3.300 1.300 1.300 peak 708 spectrum 1 weight 0.11000E+01 volume 0.24599E-02 ppm1 3.443 ppm2 1.775 CV 1 ASSI { 709} (( segid "alk1" and resid 46 and name HD2 )) (( segid "alk1" and resid 41 and name HG2 )) 3.100 3.100 2.900 peak 709 spectrum 1 weight 0.11000E+01 volume 0.36434E-03 ppm1 3.446 ppm2 2.149 CV 1 ASSI { 710} (( segid "alk1" and resid 46 and name HD2 )) (( segid "alk1" and resid 47 and name HG2 )) 3.900 1.900 1.900 peak 710 spectrum 1 weight 0.11000E+01 volume 0.91359E-04 ppm1 3.444 ppm2 2.329 CV 1 OR { 710} (( segid "alk1" and resid 46 and name HD2 )) (( segid "alk1" and resid 47 and name HG1 )) ASSI { 714} (( segid "alk1" and resid 46 and name HD2 )) ( segid "alk1" and resid 38 and name HD1%) 2.700 2.700 3.300 peak 714 spectrum 1 weight 0.11000E+01 volume 0.86173E-03 ppm1 3.444 ppm2 0.781 CV 1 ASSI { 715} (( segid "alk1" and resid 46 and name HD2 )) (( segid "alk1" and resid 44 and name HG2 )) 4.000 4.000 2.000 peak 715 spectrum 1 weight 0.11000E+01 volume 0.84523E-04 ppm1 3.433 ppm2 1.490 CV 1 OR { 715} (( segid "alk1" and resid 46 and name HD2 )) (( segid "alk1" and resid 44 and name HG1 )) ASSI { 718} (( segid "alk1" and resid 45 and name HA )) (( segid "alk1" and resid 46 and name HD2 )) 2.400 0.700 0.700 peak 718 spectrum 1 weight 0.11000E+01 volume 0.61811E-02 ppm1 4.853 ppm2 3.449 CV 1 ASSI { 719} (( segid "alk1" and resid 45 and name HA )) (( segid "alk1" and resid 46 and name HD1 )) 2.300 0.600 0.600 peak 719 spectrum 1 weight 0.11000E+01 volume 0.81138E-02 ppm1 4.855 ppm2 3.844 CV 1 ASSI { 721} (( segid "alk1" and resid 30 and name HD1 )) (( segid "alk1" and resid 16 and name HA )) 2.600 2.600 3.400 peak 721 spectrum 1 weight 0.11000E+01 volume 0.11727E-02 ppm1 3.057 ppm2 4.877 CV 1 OR { 721} (( segid "alk1" and resid 30 and name HD2 )) (( segid "alk1" and resid 16 and name HA )) ASSI { 722} (( segid "alk1" and resid 30 and name HD1 )) (( segid "alk1" and resid 30 and name HA )) 3.600 1.600 1.600 peak 722 spectrum 1 weight 0.11000E+01 volume 0.16484E-02 ppm1 3.058 ppm2 5.577 CV 1 OR { 722} (( segid "alk1" and resid 30 and name HD2 )) (( segid "alk1" and resid 30 and name HA )) ASSI { 725} (( segid "alk1" and resid 30 and name HD1 )) ( segid "alk1" and resid 14 and name HD1%) 2.900 1.100 1.100 peak 725 spectrum 1 weight 0.11000E+01 volume 0.20783E-02 ppm1 3.060 ppm2 0.770 CV 1 OR { 725} (( segid "alk1" and resid 30 and name HD2 )) ( segid "alk1" and resid 14 and name HD1%) ASSI { 726} (( segid "alk1" and resid 30 and name HD1 )) ( segid "alk1" and resid 16 and name HG2%) 2.600 2.600 3.400 peak 726 spectrum 1 weight 0.11000E+01 volume 0.11308E-02 ppm1 3.058 ppm2 1.163 CV 1 OR { 726} (( segid "alk1" and resid 30 and name HD2 )) ( segid "alk1" and resid 16 and name HG2%) ASSI { 730} (( segid "alk1" and resid 56 and name HA )) (( segid "alk1" and resid 56 and name HB1 )) 2.900 1.000 1.000 peak 730 spectrum 1 weight 0.11000E+01 volume 0.15982E-02 ppm1 4.991 ppm2 3.490 CV 1 ASSI { 731} (( segid "alk1" and resid 56 and name HA )) (( segid "alk1" and resid 56 and name HB2 )) 2.900 1.000 1.000 peak 731 spectrum 1 weight 0.11000E+01 volume 0.33564E-02 ppm1 4.994 ppm2 3.145 CV 1 ASSI { 736} (( segid "alk1" and resid 61 and name HA )) (( segid "alk1" and resid 61 and name HB1 )) 4.400 4.400 1.600 peak 736 spectrum 1 weight 0.11000E+01 volume 0.16570E-03 ppm1 4.500 ppm2 1.741 CV 1 ASSI { 740} (( segid "alk1" and resid 62 and name HA1 )) (( segid "alk1" and resid 63 and name HB2 )) 6.000 5.600 0.000 peak 740 spectrum 1 weight 0.11000E+01 volume 0.31860E-04 ppm1 4.129 ppm2 1.708 CV 1 ASSI { 1} (( segid "alk1" and resid 53 and name HA2 )) (( segid "alk1" and resid 53 and name HA1 )) 2.100 0.500 0.500 peak 1 spectrum 1 weight 0.11000E+01 volume 0.54087E-02 ppm1 2.239 ppm2 4.056 CV 1 ASSI { 1} (( segid "alk1" and resid 54 and name HB1 )) (( segid "alk1" and resid 54 and name HA )) 2.500 0.800 0.800 peak 1 spectrum 1 weight 0.11000E+01 volume 0.32875E-02 ppm1 2.477 ppm2 4.027 CV 1 ASSI { 4} (( segid "alk1" and resid 67 and name HB2 )) (( segid "alk1" and resid 67 and name HB1 )) 2.300 2.300 3.700 peak 4 spectrum 1 weight 0.11000E+01 volume 0.32961E-02 ppm1 2.976 ppm2 3.274 CV 1 ASSI { 5} (( segid "alk1" and resid 81 and name HB1 )) (( segid "alk1" and resid 81 and name HA )) 3.100 1.200 1.200 peak 5 spectrum 1 weight 0.11000E+01 volume 0.12690E-02 ppm1 2.743 ppm2 4.565 CV 1 ASSI { 8} (( segid "alk1" and resid 15 and name HB )) (( segid "alk1" and resid 15 and name HA )) 2.400 0.700 0.700 peak 8 spectrum 1 weight 0.11000E+01 volume 0.55140E-02 ppm1 1.838 ppm2 4.456 CV 1 ASSI { 9} (( segid "alk1" and resid 90 and name HG1 )) (( segid "alk1" and resid 90 and name HA )) 2.800 1.000 1.000 peak 9 spectrum 1 weight 0.11000E+01 volume 0.30643E-02 ppm1 2.344 ppm2 4.596 CV 1 OR { 9} (( segid "alk1" and resid 90 and name HG2 )) (( segid "alk1" and resid 90 and name HA )) ASSI { 12} (( segid "alk1" and resid 85 and name HB )) (( segid "alk1" and resid 85 and name HN )) 2.800 1.000 1.000 peak 12 spectrum 1 weight 0.11000E+01 volume 0.30464E-02 ppm1 1.936 ppm2 7.822 CV 1 ASSI { 13} (( segid "alk1" and resid 27 and name HB1 )) (( segid "alk1" and resid 27 and name HA )) 4.400 2.400 1.600 peak 13 spectrum 1 weight 0.11000E+01 volume 0.12214E-03 ppm1 2.377 ppm2 4.812 CV 1 ASSI { 14} (( segid "alk1" and resid 46 and name HB1 )) (( segid "alk1" and resid 46 and name HA )) 2.800 1.000 1.000 peak 14 spectrum 1 weight 0.11000E+01 volume 0.14034E-02 ppm1 2.062 ppm2 4.637 CV 1 ASSI { 16} (( segid "alk1" and resid 44 and name HB1 )) (( segid "alk1" and resid 44 and name HA )) 4.200 2.200 1.800 peak 16 spectrum 1 weight 0.11000E+01 volume 0.23995E-03 ppm1 1.892 ppm2 4.590 CV 1 ASSI { 18} (( segid "alk1" and resid 8 and name HB1 )) (( segid "alk1" and resid 8 and name HA )) 2.500 2.500 3.500 peak 18 spectrum 1 weight 0.11000E+01 volume 0.28892E-02 ppm1 1.782 ppm2 4.622 CV 1 ASSI { 19} (( segid "alk1" and resid 44 and name HB2 )) (( segid "alk1" and resid 44 and name HA )) 3.700 1.700 1.700 peak 19 spectrum 1 weight 0.11000E+01 volume 0.47691E-03 ppm1 1.686 ppm2 4.589 CV 1 ASSI { 20} (( segid "alk1" and resid 25 and name HB1 )) (( segid "alk1" and resid 25 and name HA )) 2.400 0.700 0.700 peak 20 spectrum 1 weight 0.11000E+01 volume 0.59525E-02 ppm1 1.970 ppm2 4.417 CV 1 ASSI { 21} (( segid "alk1" and resid 22 and name HB1 )) (( segid "alk1" and resid 19 and name HB1 )) 5.200 3.400 0.800 peak 21 spectrum 1 weight 0.11000E+01 volume 0.23621E-03 ppm1 2.290 ppm2 3.798 CV 1 ASSI { 22} (( segid "alk1" and resid 6 and name HB1 )) (( segid "alk1" and resid 6 and name HA )) 1.900 0.400 0.400 peak 22 spectrum 1 weight 0.11000E+01 volume 0.20380E-01 ppm1 2.269 ppm2 4.420 CV 1 ASSI { 23} (( segid "alk1" and resid 20 and name HB1 )) (( segid "alk1" and resid 20 and name HA )) 4.800 2.900 1.200 peak 23 spectrum 1 weight 0.11000E+01 volume 0.12638E-03 ppm1 2.040 ppm2 4.519 CV 1 ASSI { 24} (( segid "alk1" and resid 96 and name HB1 )) (( segid "alk1" and resid 96 and name HA )) 2.600 0.900 0.900 peak 24 spectrum 1 weight 0.11000E+01 volume 0.28444E-02 ppm1 1.944 ppm2 4.421 CV 1 ASSI { 25} (( segid "alk1" and resid 20 and name HB2 )) (( segid "alk1" and resid 20 and name HA )) 4.400 2.400 1.600 peak 25 spectrum 1 weight 0.11000E+01 volume 0.11857E-03 ppm1 1.834 ppm2 4.514 CV 1 ASSI { 28} (( segid "alk1" and resid 76 and name HB2 )) (( segid "alk1" and resid 76 and name HA )) 3.500 1.500 1.500 peak 28 spectrum 1 weight 0.11000E+01 volume 0.45904E-03 ppm1 3.068 ppm2 4.540 CV 1 OR { 28} (( segid "alk1" and resid 76 and name HB1 )) (( segid "alk1" and resid 76 and name HA )) ASSI { 30} (( segid "alk1" and resid 41 and name HB2 )) (( segid "alk1" and resid 41 and name HN )) 3.100 1.200 1.200 peak 30 spectrum 1 weight 0.11000E+01 volume 0.12843E-02 ppm1 1.754 ppm2 8.465 CV 1 ASSI { 31} (( segid "alk1" and resid 40 and name HB2 )) (( segid "alk1" and resid 40 and name HA )) 3.300 1.400 1.400 peak 31 spectrum 1 weight 0.11000E+01 volume 0.88771E-03 ppm1 1.742 ppm2 4.504 CV 1 ASSI { 45} (( segid "alk1" and resid 23 and name HB2 )) (( segid "alk1" and resid 23 and name HB1 )) 1.700 0.400 0.500 peak 45 spectrum 1 weight 0.11000E+01 volume 0.20735E-01 ppm1 2.920 ppm2 3.302 CV 1 ASSI { 50} (( segid "alk1" and resid 90 and name HB1 )) (( segid "alk1" and resid 90 and name HA )) 4.600 2.600 1.400 peak 50 spectrum 1 weight 0.11000E+01 volume 0.11651E-03 ppm1 2.056 ppm2 4.607 CV 1 ASSI { 51} (( segid "alk1" and resid 90 and name HB2 )) (( segid "alk1" and resid 90 and name HN )) 3.900 1.900 1.900 peak 51 spectrum 1 weight 0.11000E+01 volume 0.24905E-03 ppm1 1.897 ppm2 8.225 CV 1 ASSI { 52} (( segid "alk1" and resid 90 and name HB2 )) (( segid "alk1" and resid 90 and name HA )) 3.100 1.200 1.200 peak 52 spectrum 1 weight 0.11000E+01 volume 0.17285E-02 ppm1 1.900 ppm2 4.605 CV 1 ASSI { 56} (( segid "alk1" and resid 92 and name HG2 )) (( segid "alk1" and resid 92 and name HD2 )) 1.700 0.400 0.500 peak 56 spectrum 1 weight 0.11000E+01 volume 0.29360E-01 ppm1 2.016 ppm2 3.630 CV 1 ASSI { 57} (( segid "alk1" and resid 92 and name HG1 )) (( segid "alk1" and resid 92 and name HD1 )) 1.700 0.400 0.500 peak 57 spectrum 1 weight 0.11000E+01 volume 0.30816E-01 ppm1 1.997 ppm2 3.808 CV 1 ASSI { 60} (( segid "alk1" and resid 61 and name HG1 )) (( segid "alk1" and resid 61 and name HA )) 3.700 1.700 1.700 peak 60 spectrum 1 weight 0.11000E+01 volume 0.66987E-03 ppm1 1.583 ppm2 4.496 CV 1 OR { 60} (( segid "alk1" and resid 61 and name HG2 )) (( segid "alk1" and resid 61 and name HA )) ASSI { 82} ( segid "alk1" and resid 38 and name HD1%) (( segid "alk1" and resid 38 and name HA )) 3.200 1.300 1.300 peak 82 spectrum 1 weight 0.11000E+01 volume 0.84245E-03 ppm1 0.767 ppm2 4.880 CV 1 ASSI { 92} ( segid "alk1" and resid 36 and name HG1%) (( segid "alk1" and resid 36 and name HA )) 3.200 1.200 1.200 peak 92 spectrum 1 weight 0.11000E+01 volume 0.96186E-03 ppm1 1.128 ppm2 4.764 CV 1 ASSI { 94} ( segid "alk1" and resid 36 and name HG1%) (( segid "alk1" and resid 79 and name HB1 )) 2.400 0.700 0.700 peak 94 spectrum 1 weight 0.11000E+01 volume 0.34412E-02 ppm1 1.131 ppm2 3.272 CV 1 ASSI { 95} ( segid "alk1" and resid 55 and name HD2%) (( segid "alk1" and resid 55 and name HA )) 3.300 1.300 1.300 peak 95 spectrum 1 weight 0.11000E+01 volume 0.23197E-02 ppm1 0.812 ppm2 4.646 CV 1 ASSI { 101} ( segid "alk1" and resid 35 and name HG2%) (( segid "alk1" and resid 35 and name HB )) 2.300 0.600 0.600 peak 101 spectrum 1 weight 0.11000E+01 volume 0.70417E-02 ppm1 1.228 ppm2 4.026 CV 1 ASSI { 107} ( segid "alk1" and resid 35 and name HG2%) (( segid "alk1" and resid 23 and name HD2 )) 4.700 2.800 1.300 peak 107 spectrum 1 weight 0.11000E+01 volume 0.24910E-03 ppm1 1.233 ppm2 7.069 CV 1 ASSI { 110} ( segid "alk1" and resid 14 and name HD2%) (( segid "alk1" and resid 14 and name HA )) 2.600 0.900 0.900 peak 110 spectrum 1 weight 0.11000E+01 volume 0.32313E-02 ppm1 0.637 ppm2 4.512 CV 1 ASSI { 111} ( segid "alk1" and resid 14 and name HD2%) (( segid "alk1" and resid 13 and name HA )) 2.200 2.200 3.800 peak 111 spectrum 1 weight 0.11000E+01 volume 0.25362E-02 ppm1 0.637 ppm2 4.421 CV 1 ASSI { 116} ( segid "alk1" and resid 77 and name HD2%) (( segid "alk1" and resid 77 and name HA )) 2.900 1.000 1.000 peak 116 spectrum 1 weight 0.11000E+01 volume 0.14566E-02 ppm1 0.532 ppm2 3.770 CV 1 ASSI { 152} ( segid "alk1" and resid 59 and name HD2%) (( segid "alk1" and resid 59 and name HA )) 2.700 0.900 0.900 peak 152 spectrum 1 weight 0.11000E+01 volume 0.27019E-02 ppm1 0.719 ppm2 4.062 CV 1 ASSI { 153} ( segid "alk1" and resid 84 and name HD2%) (( segid "alk1" and resid 84 and name HA )) 2.600 0.800 0.800 peak 153 spectrum 1 weight 0.11000E+01 volume 0.42994E-02 ppm1 0.560 ppm2 4.364 CV 1 ASSI { 162} ( segid "alk1" and resid 15 and name HG2%) (( segid "alk1" and resid 52 and name HA )) 4.200 2.200 1.800 peak 162 spectrum 1 weight 0.11000E+01 volume 0.63192E-03 ppm1 0.791 ppm2 5.198 CV 1 ASSI { 167} ( segid "alk1" and resid 65 and name HG2%) (( segid "alk1" and resid 65 and name HB )) 2.100 0.600 0.600 peak 167 spectrum 1 weight 0.11000E+01 volume 0.13649E-01 ppm1 1.212 ppm2 4.473 CV 1 ASSI { 171} ( segid "alk1" and resid 16 and name HG2%) (( segid "alk1" and resid 16 and name HB )) 2.000 0.500 0.500 peak 171 spectrum 1 weight 0.11000E+01 volume 0.16475E-01 ppm1 1.150 ppm2 4.140 CV 1 ASSI { 178} ( segid "alk1" and resid 15 and name HG2%) (( segid "alk1" and resid 16 and name HN )) 3.800 1.800 1.800 peak 178 spectrum 1 weight 0.11000E+01 volume 0.19545E-02 ppm1 0.779 ppm2 8.890 CV 1 ASSI { 180} ( segid "alk1" and resid 15 and name HG2%) (( segid "alk1" and resid 15 and name HA )) 2.400 0.700 0.700 peak 180 spectrum 1 weight 0.11000E+01 volume 0.52696E-02 ppm1 0.781 ppm2 4.445 CV 1 ASSI { 190} ( segid "alk1" and resid 98 and name HG2%) (( segid "alk1" and resid 98 and name HN )) 4.400 2.400 1.600 peak 190 spectrum 1 weight 0.11000E+01 volume 0.24543E-03 ppm1 1.150 ppm2 8.021 CV 1 ASSI { 192} ( segid "alk1" and resid 98 and name HG2%) (( segid "alk1" and resid 98 and name HA )) 3.300 1.400 1.400 peak 192 spectrum 1 weight 0.11000E+01 volume 0.12168E-02 ppm1 1.151 ppm2 4.357 CV 1 ASSI { 201} ( segid "alk1" and resid 68 and name HG1%) (( segid "alk1" and resid 67 and name HA )) 3.900 3.900 2.100 peak 201 spectrum 1 weight 0.11000E+01 volume 0.76914E-03 ppm1 0.966 ppm2 4.595 CV 1 ASSI { 202} ( segid "alk1" and resid 68 and name HG2%) (( segid "alk1" and resid 69 and name HA )) 4.500 2.600 1.500 peak 202 spectrum 1 weight 0.11000E+01 volume 0.27590E-03 ppm1 0.955 ppm2 4.879 CV 1 ASSI { 203} ( segid "alk1" and resid 36 and name HG2%) (( segid "alk1" and resid 71 and name HN )) 2.700 0.900 0.900 peak 203 spectrum 1 weight 0.11000E+01 volume 0.25990E-02 ppm1 0.894 ppm2 9.042 CV 1 ASSI { 204} ( segid "alk1" and resid 36 and name HG2%) (( segid "alk1" and resid 36 and name HA )) 2.900 1.100 1.100 peak 204 spectrum 1 weight 0.11000E+01 volume 0.28279E-02 ppm1 0.894 ppm2 4.770 CV 1 ASSI { 207} ( segid "alk1" and resid 82 and name HG1%) (( segid "alk1" and resid 85 and name HN )) 4.900 3.000 1.100 peak 207 spectrum 1 weight 0.11000E+01 volume 0.13577E-03 ppm1 0.798 ppm2 7.814 CV 1 ASSI { 209} ( segid "alk1" and resid 82 and name HG1%) ( segid "alk1" and resid 71 and name HE% ) 2.400 2.400 3.600 peak 209 spectrum 1 weight 0.11000E+01 volume 0.16647E-02 ppm1 0.801 ppm2 6.572 CV 1 ASSI { 214} ( segid "alk1" and resid 82 and name HG1%) (( segid "alk1" and resid 82 and name HA )) 2.600 0.800 0.800 peak 214 spectrum 1 weight 0.11000E+01 volume 0.78979E-02 ppm1 0.800 ppm2 3.843 CV 1 ASSI { 243} ( segid "alk1" and resid 68 and name HG1%) (( segid "alk1" and resid 66 and name HN )) 3.300 1.400 1.400 peak 243 spectrum 1 weight 0.11000E+01 volume 0.23367E-03 ppm1 0.966 ppm2 8.369 CV 1 ASSI { 244} ( segid "alk1" and resid 68 and name HG2%) (( segid "alk1" and resid 68 and name HA )) 2.400 0.700 0.700 peak 244 spectrum 1 weight 0.11000E+01 volume 0.63628E-02 ppm1 0.962 ppm2 4.401 CV 1 ASSI { 247} ( segid "alk1" and resid 7 and name HG2%) (( segid "alk1" and resid 7 and name HA )) 4.000 2.000 2.000 peak 247 spectrum 1 weight 0.11000E+01 volume 0.39028E-03 ppm1 0.881 ppm2 3.999 CV 1 ASSI { 249} ( segid "alk1" and resid 82 and name HG1%) (( segid "alk1" and resid 37 and name HN )) 5.100 3.200 0.900 peak 249 spectrum 1 weight 0.11000E+01 volume 0.25635E-03 ppm1 0.800 ppm2 9.058 CV 1 ASSI { 251} ( segid "alk1" and resid 85 and name HG1%) (( segid "alk1" and resid 86 and name HN )) 3.900 1.900 1.900 peak 251 spectrum 1 weight 0.11000E+01 volume 0.73850E-03 ppm1 0.805 ppm2 8.077 CV 1 ASSI { 283} ( segid "alk1" and resid 37 and name HG2%) (( segid "alk1" and resid 50 and name HA )) 3.300 3.300 2.700 peak 283 spectrum 1 weight 0.11000E+01 volume 0.11760E-02 ppm1 0.789 ppm2 5.196 CV 1 ASSI { 294} ( segid "alk1" and resid 7 and name HG1%) (( segid "alk1" and resid 7 and name HA )) 3.800 1.800 1.800 peak 294 spectrum 1 weight 0.11000E+01 volume 0.46970E-03 ppm1 0.918 ppm2 3.993 CV 1 ASSI { 301} ( segid "alk1" and resid 39 and name HG1%) (( segid "alk1" and resid 41 and name HN )) 3.100 3.100 2.900 peak 301 spectrum 1 weight 0.11000E+01 volume 0.17893E-02 ppm1 0.764 ppm2 8.453 CV 1 ASSI { 304} ( segid "alk1" and resid 37 and name HG2%) (( segid "alk1" and resid 37 and name HA )) 2.900 1.100 1.100 peak 304 spectrum 1 weight 0.11000E+01 volume 0.29749E-02 ppm1 0.762 ppm2 4.786 CV 1 ASSI { 332} ( segid "alk1" and resid 15 and name HG1%) (( segid "alk1" and resid 15 and name HN )) 3.100 1.200 1.200 peak 332 spectrum 1 weight 0.11000E+01 volume 0.31818E-02 ppm1 0.796 ppm2 9.117 CV 1 ASSI { 333} ( segid "alk1" and resid 15 and name HG1%) (( segid "alk1" and resid 15 and name HA )) 2.600 2.600 3.400 peak 333 spectrum 1 weight 0.11000E+01 volume 0.31039E-02 ppm1 0.796 ppm2 4.497 CV 1 ASSI { 336} ( segid "alk1" and resid 15 and name HG1%) (( segid "alk1" and resid 33 and name HA )) 3.000 1.100 1.100 peak 336 spectrum 1 weight 0.11000E+01 volume 0.11724E-02 ppm1 0.793 ppm2 4.627 CV 1 ASSI { 338} ( segid "alk1" and resid 85 and name HG1%) (( segid "alk1" and resid 85 and name HA )) 2.900 2.900 3.100 peak 338 spectrum 1 weight 0.11000E+01 volume 0.29296E-02 ppm1 0.768 ppm2 3.950 CV 1 ASSI { 350} ( segid "alk1" and resid 85 and name HG2%) (( segid "alk1" and resid 85 and name HN )) 2.800 1.000 1.000 peak 350 spectrum 1 weight 0.11000E+01 volume 0.35475E-02 ppm1 0.770 ppm2 7.826 CV 1 ASSI { 351} ( segid "alk1" and resid 37 and name HG1%) (( segid "alk1" and resid 37 and name HN )) 3.300 1.400 1.400 peak 351 spectrum 1 weight 0.11000E+01 volume 0.24281E-02 ppm1 0.663 ppm2 9.051 CV 1 ASSI { 352} ( segid "alk1" and resid 37 and name HG1%) (( segid "alk1" and resid 37 and name HA )) 2.800 1.000 1.000 peak 352 spectrum 1 weight 0.11000E+01 volume 0.19521E-02 ppm1 0.662 ppm2 4.780 CV 1 ASSI { 364} ( segid "alk1" and resid 82 and name HG2%) (( segid "alk1" and resid 94 and name HN )) 3.400 3.400 2.600 peak 364 spectrum 1 weight 0.11000E+01 volume 0.20737E-02 ppm1 0.206 ppm2 8.365 CV 1 ASSI { 365} ( segid "alk1" and resid 82 and name HG2%) (( segid "alk1" and resid 82 and name HA )) 2.700 0.900 0.900 peak 365 spectrum 1 weight 0.11000E+01 volume 0.31319E-02 ppm1 0.206 ppm2 3.844 CV 1 ASSI { 371} ( segid "alk1" and resid 32 and name HB% ) (( segid "alk1" and resid 33 and name HD1 )) 2.500 0.800 0.800 peak 371 spectrum 1 weight 0.11000E+01 volume 0.60534E-02 ppm1 1.492 ppm2 7.236 CV 1 ASSI { 385} (( segid "alk1" and resid 53 and name HA1 )) (( segid "alk1" and resid 33 and name HE1 )) 3.300 1.300 1.300 peak 385 spectrum 1 weight 0.11000E+01 volume 0.67322E-03 ppm1 4.057 ppm2 9.889 CV 1 ASSI { 386} (( segid "alk1" and resid 53 and name HA1 )) (( segid "alk1" and resid 53 and name HN )) 2.800 1.000 1.000 peak 386 spectrum 1 weight 0.11000E+01 volume 0.13345E-02 ppm1 4.054 ppm2 8.683 CV 1 ASSI { 387} (( segid "alk1" and resid 53 and name HA1 )) (( segid "alk1" and resid 54 and name HN )) 3.100 1.200 1.200 peak 387 spectrum 1 weight 0.11000E+01 volume 0.13143E-02 ppm1 4.052 ppm2 8.118 CV 1 ASSI { 388} (( segid "alk1" and resid 53 and name HA1 )) (( segid "alk1" and resid 23 and name HA )) 3.900 3.900 2.100 peak 388 spectrum 1 weight 0.10000E+01 volume 0.95576E-04 ppm1 4.052 ppm2 4.686 CV 1 ASSI { 389} (( segid "alk1" and resid 53 and name HA1 )) (( segid "alk1" and resid 52 and name HB2 )) 4.600 4.600 1.400 peak 389 spectrum 1 weight 0.11000E+01 volume 0.32533E-03 ppm1 4.031 ppm2 2.479 CV 1 ASSI { 390} (( segid "alk1" and resid 53 and name HA1 )) ( segid "alk1" and resid 35 and name HG2%) 3.000 1.100 1.100 peak 390 spectrum 1 weight 0.11000E+01 volume 0.12814E-02 ppm1 4.052 ppm2 1.232 CV 1 ASSI { 395} (( segid "alk1" and resid 53 and name HA2 )) (( segid "alk1" and resid 33 and name HZ2 )) 5.800 4.200 0.200 peak 395 spectrum 1 weight 0.11000E+01 volume 0.18515E-03 ppm1 2.230 ppm2 7.030 CV 1 ASSI { 398} (( segid "alk1" and resid 53 and name HA2 )) ( segid "alk1" and resid 35 and name HG2%) 3.700 1.700 1.700 peak 398 spectrum 1 weight 0.11000E+01 volume 0.15173E-02 ppm1 2.240 ppm2 1.231 CV 1 ASSI { 399} (( segid "alk1" and resid 41 and name HG1 )) (( segid "alk1" and resid 42 and name HN )) 3.400 1.400 1.400 peak 399 spectrum 1 weight 0.11000E+01 volume 0.14077E-02 ppm1 2.166 ppm2 8.642 CV 1 OR { 399} (( segid "alk1" and resid 41 and name HG2 )) (( segid "alk1" and resid 42 and name HN )) ASSI { 400} (( segid "alk1" and resid 15 and name HB )) (( segid "alk1" and resid 15 and name HN )) 2.500 0.800 0.800 peak 400 spectrum 1 weight 0.11000E+01 volume 0.27210E-02 ppm1 1.840 ppm2 9.119 CV 1 ASSI { 402} (( segid "alk1" and resid 15 and name HB )) ( segid "alk1" and resid 15 and name HG1%) 2.100 0.500 0.500 peak 402 spectrum 1 weight 0.11000E+01 volume 0.12364E-01 ppm1 1.839 ppm2 0.790 CV 1 OR { 402} (( segid "alk1" and resid 15 and name HB )) ( segid "alk1" and resid 15 and name HG2%) ASSI { 403} (( segid "alk1" and resid 47 and name HB1 )) (( segid "alk1" and resid 47 and name HN )) 3.900 1.900 1.900 peak 403 spectrum 1 weight 0.11000E+01 volume 0.86223E-03 ppm1 1.995 ppm2 8.538 CV 1 ASSI { 404} (( segid "alk1" and resid 47 and name HB1 )) (( segid "alk1" and resid 48 and name HN )) 3.000 1.100 1.100 peak 404 spectrum 1 weight 0.11000E+01 volume 0.18690E-02 ppm1 1.996 ppm2 8.754 CV 1 ASSI { 405} (( segid "alk1" and resid 7 and name HB )) (( segid "alk1" and resid 7 and name HA )) 3.000 1.100 1.100 peak 405 spectrum 1 weight 0.11000E+01 volume 0.17209E-02 ppm1 2.004 ppm2 3.995 CV 1 ASSI { 406} (( segid "alk1" and resid 47 and name HB2 )) (( segid "alk1" and resid 48 and name HN )) 3.900 1.900 1.900 peak 406 spectrum 1 weight 0.11000E+01 volume 0.10924E-02 ppm1 1.797 ppm2 8.751 CV 1 ASSI { 411} (( segid "alk1" and resid 8 and name HB2 )) (( segid "alk1" and resid 10 and name HB1 )) 4.700 2.700 1.300 peak 411 spectrum 1 weight 0.11000E+01 volume 0.18068E-03 ppm1 1.690 ppm2 3.820 CV 1 OR { 411} (( segid "alk1" and resid 8 and name HB2 )) (( segid "alk1" and resid 10 and name HB2 )) ASSI { 412} (( segid "alk1" and resid 44 and name HB2 )) (( segid "alk1" and resid 44 and name HD1 )) 3.200 1.300 1.300 peak 412 spectrum 1 weight 0.11000E+01 volume 0.15977E-02 ppm1 1.686 ppm2 3.124 CV 1 OR { 412} (( segid "alk1" and resid 44 and name HB2 )) (( segid "alk1" and resid 44 and name HD2 )) ASSI { 415} ( segid "alk1" and resid 14 and name HD2%) (( segid "alk1" and resid 32 and name HN )) 4.000 2.000 2.000 peak 415 spectrum 1 weight 0.11000E+01 volume 0.60356E-03 ppm1 0.636 ppm2 7.737 CV 1 ASSI { 417} ( segid "alk1" and resid 14 and name HD2%) (( segid "alk1" and resid 14 and name HB2 )) 3.300 1.400 1.400 peak 417 spectrum 1 weight 0.11000E+01 volume 0.23012E-02 ppm1 0.637 ppm2 1.220 CV 1 ASSI { 418} ( segid "alk1" and resid 14 and name HD2%) (( segid "alk1" and resid 14 and name HB1 )) 2.200 0.600 0.600 peak 418 spectrum 1 weight 0.11000E+01 volume 0.88228E-02 ppm1 0.637 ppm2 1.566 CV 1 ASSI { 419} (( segid "alk1" and resid 15 and name HB )) (( segid "alk1" and resid 77 and name HN )) 6.000 4.500 0.000 peak 419 spectrum 1 weight 0.11000E+01 volume 0.14551E-03 ppm1 1.839 ppm2 9.790 CV 1 ASSI { 423} ( segid "alk1" and resid 15 and name HG2%) (( segid "alk1" and resid 15 and name HB )) 2.300 0.700 0.700 peak 423 spectrum 1 weight 0.10000E+01 volume 0.63320E-02 ppm1 0.781 ppm2 1.837 CV 1 ASSI { 426} (( segid "alk1" and resid 17 and name HB1 )) (( segid "alk1" and resid 23 and name HE1 )) 4.200 2.200 1.800 peak 426 spectrum 1 weight 0.10000E+01 volume 0.59890E-03 ppm1 2.957 ppm2 8.058 CV 1 ASSI { 427} (( segid "alk1" and resid 17 and name HB1 )) (( segid "alk1" and resid 17 and name HA )) 2.600 0.800 0.800 peak 427 spectrum 1 weight 0.11000E+01 volume 0.23746E-02 ppm1 2.956 ppm2 4.888 CV 1 ASSI { 430} (( segid "alk1" and resid 17 and name HB2 )) (( segid "alk1" and resid 23 and name HE1 )) 4.200 2.200 1.800 peak 430 spectrum 1 weight 0.10000E+01 volume 0.46581E-03 ppm1 2.852 ppm2 8.058 CV 1 ASSI { 431} (( segid "alk1" and resid 17 and name HB2 )) (( segid "alk1" and resid 17 and name HA )) 2.900 1.000 1.000 peak 431 spectrum 1 weight 0.11000E+01 volume 0.25857E-02 ppm1 2.849 ppm2 4.884 CV 1 ASSI { 432} (( segid "alk1" and resid 17 and name HB2 )) (( segid "alk1" and resid 34 and name HB1 )) 4.500 2.600 1.500 peak 432 spectrum 1 weight 0.11000E+01 volume 0.24486E-03 ppm1 2.849 ppm2 3.170 CV 1 OR { 432} (( segid "alk1" and resid 17 and name HB2 )) (( segid "alk1" and resid 34 and name HB2 )) ASSI { 433} ( segid "alk1" and resid 18 and name HG2%) (( segid "alk1" and resid 50 and name HD1 )) 2.900 1.000 1.000 peak 433 spectrum 1 weight 0.11000E+01 volume 0.53809E-02 ppm1 1.220 ppm2 3.192 CV 1 ASSI { 434} ( segid "alk1" and resid 18 and name HG2%) (( segid "alk1" and resid 20 and name HB2 )) 2.500 0.800 0.800 peak 434 spectrum 1 weight 0.11000E+01 volume 0.41093E-02 ppm1 1.219 ppm2 1.830 CV 1 ASSI { 435} (( segid "alk1" and resid 19 and name HB1 )) (( segid "alk1" and resid 20 and name HN )) 3.500 1.500 1.500 peak 435 spectrum 1 weight 0.11000E+01 volume 0.54855E-03 ppm1 3.774 ppm2 9.107 CV 1 ASSI { 436} (( segid "alk1" and resid 19 and name HB1 )) (( segid "alk1" and resid 29 and name HN )) 4.600 2.600 1.400 peak 436 spectrum 1 weight 0.11000E+01 volume 0.67004E-03 ppm1 3.782 ppm2 8.875 CV 1 ASSI { 437} (( segid "alk1" and resid 19 and name HB1 )) (( segid "alk1" and resid 19 and name HN )) 3.100 1.200 1.200 peak 437 spectrum 1 weight 0.11000E+01 volume 0.21496E-02 ppm1 3.779 ppm2 8.227 CV 1 ASSI { 439} (( segid "alk1" and resid 19 and name HB1 )) (( segid "alk1" and resid 28 and name HN )) 4.500 2.500 1.500 peak 439 spectrum 1 weight 0.11000E+01 volume 0.17845E-03 ppm1 3.782 ppm2 7.596 CV 1 ASSI { 442} (( segid "alk1" and resid 19 and name HB1 )) (( segid "alk1" and resid 27 and name HA )) 3.400 1.400 1.400 peak 442 spectrum 1 weight 0.11000E+01 volume 0.84688E-03 ppm1 3.784 ppm2 4.824 CV 1 ASSI { 443} (( segid "alk1" and resid 19 and name HB1 )) (( segid "alk1" and resid 28 and name HB )) 6.000 5.800 0.000 peak 443 spectrum 1 weight 0.11000E+01 volume 0.10621E-03 ppm1 3.784 ppm2 4.217 CV 1 ASSI { 444} (( segid "alk1" and resid 19 and name HB1 )) (( segid "alk1" and resid 18 and name HA )) 4.900 3.000 1.100 peak 444 spectrum 1 weight 0.11000E+01 volume 0.57812E-03 ppm1 3.779 ppm2 3.997 CV 1 ASSI { 445} (( segid "alk1" and resid 19 and name HB1 )) (( segid "alk1" and resid 24 and name HB1 )) 3.400 1.400 1.400 peak 445 spectrum 1 weight 0.11000E+01 volume 0.13674E-02 ppm1 3.781 ppm2 3.532 CV 1 ASSI { 446} (( segid "alk1" and resid 19 and name HB1 )) (( segid "alk1" and resid 24 and name HB2 )) 3.900 1.900 1.900 peak 446 spectrum 1 weight 0.11000E+01 volume 0.16137E-03 ppm1 3.785 ppm2 3.046 CV 1 ASSI { 447} (( segid "alk1" and resid 19 and name HB1 )) (( segid "alk1" and resid 19 and name HB2 )) 1.800 0.400 0.400 peak 447 spectrum 1 weight 0.11000E+01 volume 0.11171E-01 ppm1 3.779 ppm2 1.620 CV 1 ASSI { 449} (( segid "alk1" and resid 19 and name HB2 )) (( segid "alk1" and resid 29 and name HN )) 3.700 1.700 1.700 peak 449 spectrum 1 weight 0.11000E+01 volume 0.71080E-03 ppm1 1.618 ppm2 8.873 CV 1 ASSI { 450} (( segid "alk1" and resid 19 and name HB2 )) (( segid "alk1" and resid 19 and name HN )) 2.800 1.000 1.000 peak 450 spectrum 1 weight 0.11000E+01 volume 0.17655E-02 ppm1 1.617 ppm2 8.228 CV 1 ASSI { 451} (( segid "alk1" and resid 19 and name HB2 )) (( segid "alk1" and resid 26 and name HN )) 5.700 4.100 0.300 peak 451 spectrum 1 weight 0.11000E+01 volume 0.96321E-04 ppm1 1.618 ppm2 7.774 CV 1 ASSI { 453} (( segid "alk1" and resid 19 and name HB2 )) (( segid "alk1" and resid 28 and name HA )) 2.700 0.900 0.900 peak 453 spectrum 1 weight 0.11000E+01 volume 0.13178E-02 ppm1 1.618 ppm2 5.356 CV 1 ASSI { 455} (( segid "alk1" and resid 19 and name HB2 )) (( segid "alk1" and resid 27 and name HA )) 3.700 1.700 1.700 peak 455 spectrum 1 weight 0.11000E+01 volume 0.66528E-03 ppm1 1.618 ppm2 4.831 CV 1 ASSI { 456} (( segid "alk1" and resid 19 and name HB2 )) (( segid "alk1" and resid 18 and name HA )) 5.100 3.300 0.900 peak 456 spectrum 1 weight 0.11000E+01 volume 0.23195E-03 ppm1 1.614 ppm2 4.002 CV 1 ASSI { 457} (( segid "alk1" and resid 19 and name HB2 )) (( segid "alk1" and resid 24 and name HB1 )) 3.600 1.600 1.600 peak 457 spectrum 1 weight 0.11000E+01 volume 0.11927E-02 ppm1 1.617 ppm2 3.511 CV 1 ASSI { 458} (( segid "alk1" and resid 19 and name HB2 )) ( segid "alk1" and resid 18 and name HG2%) 4.600 2.700 1.400 peak 458 spectrum 1 weight 0.11000E+01 volume 0.30655E-03 ppm1 1.618 ppm2 1.210 CV 1 ASSI { 459} (( segid "alk1" and resid 19 and name HB2 )) ( segid "alk1" and resid 28 and name HG2%) 6.000 4.600 0.000 peak 459 spectrum 1 weight 0.11000E+01 volume 0.88359E-04 ppm1 1.618 ppm2 0.981 CV 1 ASSI { 461} (( segid "alk1" and resid 22 and name HG2 )) (( segid "alk1" and resid 49 and name HD2 )) 6.000 4.700 0.000 peak 461 spectrum 1 weight 0.11000E+01 volume 0.11021E-03 ppm1 1.887 ppm2 7.027 CV 1 ASSI { 462} (( segid "alk1" and resid 22 and name HG2 )) (( segid "alk1" and resid 22 and name HD2 )) 2.300 0.700 0.700 peak 462 spectrum 1 weight 0.11000E+01 volume 0.27139E-02 ppm1 1.882 ppm2 3.179 CV 1 ASSI { 463} (( segid "alk1" and resid 22 and name HG2 )) (( segid "alk1" and resid 22 and name HD1 )) 2.600 0.800 0.800 peak 463 spectrum 1 weight 0.11000E+01 volume 0.39776E-02 ppm1 1.885 ppm2 3.340 CV 1 ASSI { 466} (( segid "alk1" and resid 22 and name HG2 )) (( segid "alk1" and resid 21 and name HA )) 4.600 2.700 1.400 peak 466 spectrum 1 weight 0.11000E+01 volume 0.54376E-03 ppm1 1.883 ppm2 4.522 CV 1 ASSI { 467} (( segid "alk1" and resid 22 and name HB2 )) (( segid "alk1" and resid 23 and name HD2 )) 4.700 2.800 1.300 peak 467 spectrum 1 weight 0.11000E+01 volume 0.92948E-04 ppm1 1.469 ppm2 7.051 CV 1 ASSI { 470} (( segid "alk1" and resid 23 and name HB1 )) (( segid "alk1" and resid 23 and name HN )) 3.900 1.900 1.900 peak 470 spectrum 1 weight 0.11000E+01 volume 0.42877E-03 ppm1 3.300 ppm2 7.892 CV 1 ASSI { 471} (( segid "alk1" and resid 23 and name HB1 )) (( segid "alk1" and resid 23 and name HD2 )) 3.500 1.500 1.500 peak 471 spectrum 1 weight 0.11000E+01 volume 0.59059E-03 ppm1 3.297 ppm2 7.063 CV 1 ASSI { 472} (( segid "alk1" and resid 33 and name HB2 )) (( segid "alk1" and resid 52 and name HA )) 4.300 2.300 1.700 peak 472 spectrum 1 weight 0.11000E+01 volume 0.45361E-03 ppm1 3.307 ppm2 5.172 CV 1 ASSI { 473} (( segid "alk1" and resid 33 and name HB2 )) ( segid "alk1" and resid 15 and name HG1%) 4.000 2.000 2.000 peak 473 spectrum 1 weight 0.11000E+01 volume 0.99056E-03 ppm1 3.312 ppm2 0.791 CV 1 OR { 473} (( segid "alk1" and resid 33 and name HB2 )) ( segid "alk1" and resid 15 and name HG2%) ASSI { 475} (( segid "alk1" and resid 33 and name HB2 )) (( segid "alk1" and resid 33 and name HA )) 2.300 0.700 0.700 peak 475 spectrum 1 weight 0.11000E+01 volume 0.52200E-02 ppm1 3.302 ppm2 4.656 CV 1 ASSI { 476} (( segid "alk1" and resid 33 and name HB2 )) (( segid "alk1" and resid 33 and name HB1 )) 1.800 0.400 0.400 peak 476 spectrum 1 weight 0.11000E+01 volume 0.85238E-02 ppm1 3.307 ppm2 3.525 CV 1 ASSI { 477} (( segid "alk1" and resid 23 and name HB2 )) (( segid "alk1" and resid 23 and name HN )) 3.500 1.500 1.500 peak 477 spectrum 1 weight 0.11000E+01 volume 0.45089E-03 ppm1 2.920 ppm2 7.889 CV 1 ASSI { 479} (( segid "alk1" and resid 23 and name HB2 )) (( segid "alk1" and resid 23 and name HD2 )) 3.900 1.900 1.900 peak 479 spectrum 1 weight 0.11000E+01 volume 0.61007E-03 ppm1 2.919 ppm2 7.066 CV 1 ASSI { 480} (( segid "alk1" and resid 23 and name HB2 )) (( segid "alk1" and resid 23 and name HA )) 3.100 1.200 1.200 peak 480 spectrum 1 weight 0.11000E+01 volume 0.25048E-02 ppm1 2.919 ppm2 4.664 CV 1 ASSI { 483} (( segid "alk1" and resid 24 and name HB1 )) (( segid "alk1" and resid 24 and name HB2 )) 1.800 0.400 0.400 peak 483 spectrum 1 weight 0.11000E+01 volume 0.10061E-01 ppm1 3.525 ppm2 3.050 CV 1 ASSI { 488} (( segid "alk1" and resid 24 and name HB1 )) (( segid "alk1" and resid 26 and name HN )) 3.300 1.400 1.400 peak 488 spectrum 1 weight 0.11000E+01 volume 0.23344E-02 ppm1 3.527 ppm2 7.768 CV 1 ASSI { 489} (( segid "alk1" and resid 24 and name HB1 )) (( segid "alk1" and resid 28 and name HN )) 4.900 3.000 1.100 peak 489 spectrum 1 weight 0.11000E+01 volume 0.10474E-03 ppm1 3.526 ppm2 7.594 CV 1 ASSI { 494} (( segid "alk1" and resid 27 and name HB2 )) ( segid "alk1" and resid 28 and name HG2%) 2.900 2.900 3.100 peak 494 spectrum 1 weight 0.11000E+01 volume 0.17720E-02 ppm1 2.102 ppm2 0.975 CV 1 ASSI { 496} (( segid "alk1" and resid 27 and name HB2 )) (( segid "alk1" and resid 27 and name HD2 )) 3.900 1.900 1.900 peak 496 spectrum 1 weight 0.11000E+01 volume 0.92432E-03 ppm1 2.106 ppm2 3.790 CV 1 ASSI { 497} (( segid "alk1" and resid 27 and name HB2 )) (( segid "alk1" and resid 27 and name HA )) 2.900 1.100 1.100 peak 497 spectrum 1 weight 0.11000E+01 volume 0.27212E-02 ppm1 2.108 ppm2 4.815 CV 1 ASSI { 499} (( segid "alk1" and resid 30 and name HB1 )) (( segid "alk1" and resid 31 and name HN )) 3.300 1.400 1.400 peak 499 spectrum 1 weight 0.11000E+01 volume 0.93974E-03 ppm1 1.608 ppm2 8.868 CV 1 ASSI { 500} (( segid "alk1" and resid 30 and name HB1 )) (( segid "alk1" and resid 30 and name HN )) 3.300 1.400 1.400 peak 500 spectrum 1 weight 0.11000E+01 volume 0.19776E-02 ppm1 1.607 ppm2 8.489 CV 1 ASSI { 501} (( segid "alk1" and resid 30 and name HB1 )) (( segid "alk1" and resid 30 and name HA )) 2.700 0.900 0.900 peak 501 spectrum 1 weight 0.11000E+01 volume 0.17529E-02 ppm1 1.608 ppm2 5.579 CV 1 ASSI { 502} (( segid "alk1" and resid 30 and name HG2 )) (( segid "alk1" and resid 16 and name HA )) 4.700 2.700 1.300 peak 502 spectrum 1 weight 0.11000E+01 volume 0.22652E-03 ppm1 1.612 ppm2 4.878 CV 1 OR { 502} (( segid "alk1" and resid 30 and name HG1 )) (( segid "alk1" and resid 16 and name HA )) ASSI { 505} (( segid "alk1" and resid 30 and name HB1 )) (( segid "alk1" and resid 14 and name HB2 )) 3.900 1.900 1.900 peak 505 spectrum 1 weight 0.11000E+01 volume 0.10368E-02 ppm1 1.605 ppm2 1.228 CV 1 ASSI { 506} (( segid "alk1" and resid 30 and name HB1 )) ( segid "alk1" and resid 14 and name HD1%) 3.000 1.100 1.100 peak 506 spectrum 1 weight 0.11000E+01 volume 0.16309E-02 ppm1 1.606 ppm2 0.760 CV 1 ASSI { 507} ( segid "alk1" and resid 32 and name HB% ) ( segid "alk1" and resid 14 and name HD2%) 2.300 2.300 3.700 peak 507 spectrum 1 weight 0.11000E+01 volume 0.23371E-02 ppm1 1.493 ppm2 0.645 CV 1 ASSI { 508} ( segid "alk1" and resid 32 and name HB% ) ( segid "alk1" and resid 15 and name HG2%) 3.500 1.600 1.600 peak 508 spectrum 1 weight 0.11000E+01 volume 0.13395E-02 ppm1 1.493 ppm2 0.772 CV 1 ASSI { 509} ( segid "alk1" and resid 32 and name HB% ) ( segid "alk1" and resid 35 and name HG2%) 3.100 3.100 2.900 peak 509 spectrum 1 weight 0.11000E+01 volume 0.33785E-02 ppm1 1.492 ppm2 1.233 CV 1 ASSI { 511} ( segid "alk1" and resid 32 and name HB% ) (( segid "alk1" and resid 54 and name HB2 )) 4.100 2.100 1.900 peak 511 spectrum 1 weight 0.11000E+01 volume 0.75837E-03 ppm1 1.493 ppm2 2.343 CV 1 ASSI { 512} ( segid "alk1" and resid 32 and name HB% ) (( segid "alk1" and resid 54 and name HB1 )) 4.000 2.000 2.000 peak 512 spectrum 1 weight 0.11000E+01 volume 0.75328E-03 ppm1 1.491 ppm2 2.471 CV 1 ASSI { 513} ( segid "alk1" and resid 32 and name HB% ) (( segid "alk1" and resid 33 and name HZ2 )) 3.600 1.600 1.600 peak 513 spectrum 1 weight 0.11000E+01 volume 0.77058E-03 ppm1 1.492 ppm2 7.011 CV 1 ASSI { 514} ( segid "alk1" and resid 32 and name HB% ) (( segid "alk1" and resid 10 and name HB2 )) 3.400 1.400 1.400 peak 514 spectrum 1 weight 0.11000E+01 volume 0.21832E-03 ppm1 1.495 ppm2 3.833 CV 1 OR { 514} ( segid "alk1" and resid 32 and name HB% ) (( segid "alk1" and resid 10 and name HB1 )) ASSI { 515} (( segid "alk1" and resid 33 and name HB1 )) ( segid "alk1" and resid 15 and name HG1%) 4.400 2.500 1.600 peak 515 spectrum 1 weight 0.11000E+01 volume 0.63330E-03 ppm1 3.527 ppm2 0.792 CV 1 ASSI { 516} (( segid "alk1" and resid 33 and name HB1 )) ( segid "alk1" and resid 32 and name HB% ) 4.500 2.500 1.500 peak 516 spectrum 1 weight 0.11000E+01 volume 0.14687E-03 ppm1 3.527 ppm2 1.494 CV 1 ASSI { 518} (( segid "alk1" and resid 33 and name HB1 )) (( segid "alk1" and resid 33 and name HA )) 2.700 0.900 0.900 peak 518 spectrum 1 weight 0.11000E+01 volume 0.16261E-02 ppm1 3.526 ppm2 4.636 CV 1 ASSI { 522} (( segid "alk1" and resid 33 and name HB1 )) (( segid "alk1" and resid 33 and name HD1 )) 3.200 1.300 1.300 peak 522 spectrum 1 weight 0.11000E+01 volume 0.12361E-02 ppm1 3.526 ppm2 7.228 CV 1 ASSI { 523} (( segid "alk1" and resid 33 and name HB1 )) (( segid "alk1" and resid 34 and name HN )) 4.300 2.300 1.700 peak 523 spectrum 1 weight 0.11000E+01 volume 0.13474E-02 ppm1 3.523 ppm2 9.311 CV 1 ASSI { 524} (( segid "alk1" and resid 34 and name HB2 )) ( segid "alk1" and resid 15 and name HG1%) 3.700 1.700 1.700 peak 524 spectrum 1 weight 0.11000E+01 volume 0.50846E-03 ppm1 3.165 ppm2 0.791 CV 1 OR { 524} (( segid "alk1" and resid 34 and name HB1 )) ( segid "alk1" and resid 15 and name HG1%) ASSI { 525} (( segid "alk1" and resid 34 and name HB2 )) ( segid "alk1" and resid 36 and name HG1%) 4.000 2.000 2.000 peak 525 spectrum 1 weight 0.11000E+01 volume 0.56206E-03 ppm1 3.160 ppm2 1.131 CV 1 ASSI { 527} (( segid "alk1" and resid 34 and name HB1 )) (( segid "alk1" and resid 17 and name HA )) 5.700 4.100 0.300 peak 527 spectrum 1 weight 0.11000E+01 volume 0.71305E-04 ppm1 3.170 ppm2 4.892 CV 1 OR { 527} (( segid "alk1" and resid 34 and name HB2 )) (( segid "alk1" and resid 17 and name HA )) ASSI { 528} (( segid "alk1" and resid 34 and name HB2 )) (( segid "alk1" and resid 52 and name HA )) 6.000 4.700 0.000 peak 528 spectrum 1 weight 0.11000E+01 volume 0.75130E-04 ppm1 3.163 ppm2 5.196 CV 1 ASSI { 531} (( segid "alk1" and resid 34 and name HB1 )) (( segid "alk1" and resid 35 and name HN )) 3.300 1.300 1.300 peak 531 spectrum 1 weight 0.11000E+01 volume 0.18378E-02 ppm1 3.184 ppm2 8.937 CV 1 OR { 531} (( segid "alk1" and resid 34 and name HB2 )) (( segid "alk1" and resid 35 and name HN )) ASSI { 532} (( segid "alk1" and resid 34 and name HB2 )) (( segid "alk1" and resid 79 and name HN )) 3.900 1.900 1.900 peak 532 spectrum 1 weight 0.11000E+01 volume 0.53863E-03 ppm1 3.156 ppm2 8.449 CV 1 ASSI { 534} (( segid "alk1" and resid 36 and name HB )) (( segid "alk1" and resid 37 and name HN )) 3.100 1.200 1.200 peak 534 spectrum 1 weight 0.11000E+01 volume 0.10910E-02 ppm1 1.948 ppm2 9.056 CV 1 ASSI { 535} (( segid "alk1" and resid 36 and name HB )) (( segid "alk1" and resid 36 and name HN )) 3.300 1.400 1.400 peak 535 spectrum 1 weight 0.11000E+01 volume 0.13352E-02 ppm1 1.946 ppm2 8.842 CV 1 ASSI { 536} (( segid "alk1" and resid 36 and name HB )) ( segid "alk1" and resid 71 and name HD% ) 3.900 1.900 1.900 peak 536 spectrum 1 weight 0.11000E+01 volume 0.14410E-02 ppm1 1.947 ppm2 6.853 CV 1 ASSI { 538} (( segid "alk1" and resid 36 and name HB )) (( segid "alk1" and resid 36 and name HA )) 3.100 1.200 1.200 peak 538 spectrum 1 weight 0.11000E+01 volume 0.64493E-03 ppm1 1.948 ppm2 4.768 CV 1 ASSI { 540} (( segid "alk1" and resid 36 and name HB )) (( segid "alk1" and resid 71 and name HB1 )) 3.400 1.500 1.500 peak 540 spectrum 1 weight 0.11000E+01 volume 0.27920E-02 ppm1 1.946 ppm2 2.938 CV 1 ASSI { 541} (( segid "alk1" and resid 36 and name HB )) (( segid "alk1" and resid 71 and name HB2 )) 3.800 1.800 1.800 peak 541 spectrum 1 weight 0.11000E+01 volume 0.28918E-02 ppm1 1.946 ppm2 2.835 CV 1 ASSI { 542} (( segid "alk1" and resid 36 and name HB )) (( segid "alk1" and resid 84 and name HB2 )) 5.000 3.100 1.000 peak 542 spectrum 1 weight 0.11000E+01 volume 0.24352E-03 ppm1 1.948 ppm2 1.537 CV 1 OR { 542} (( segid "alk1" and resid 36 and name HB )) (( segid "alk1" and resid 84 and name HB1 )) ASSI { 543} (( segid "alk1" and resid 36 and name HB )) (( segid "alk1" and resid 84 and name HG )) 4.300 2.300 1.700 peak 543 spectrum 1 weight 0.11000E+01 volume 0.19119E-03 ppm1 1.947 ppm2 1.423 CV 1 ASSI { 544} (( segid "alk1" and resid 36 and name HB )) ( segid "alk1" and resid 36 and name HG1%) 2.300 0.600 0.600 peak 544 spectrum 1 weight 0.11000E+01 volume 0.48274E-02 ppm1 1.946 ppm2 1.129 CV 1 ASSI { 545} (( segid "alk1" and resid 36 and name HB )) ( segid "alk1" and resid 36 and name HG2%) 2.200 0.600 0.600 peak 545 spectrum 1 weight 0.11000E+01 volume 0.54171E-02 ppm1 1.947 ppm2 0.897 CV 1 ASSI { 546} (( segid "alk1" and resid 36 and name HB )) ( segid "alk1" and resid 84 and name HD1%) 2.600 0.800 0.800 peak 546 spectrum 1 weight 0.11000E+01 volume 0.23415E-02 ppm1 1.945 ppm2 0.693 CV 1 ASSI { 550} ( segid "alk1" and resid 36 and name HG1%) (( segid "alk1" and resid 36 and name HN )) 2.900 1.100 1.100 peak 550 spectrum 1 weight 0.11000E+01 volume 0.12678E-02 ppm1 1.129 ppm2 8.842 CV 1 ASSI { 551} ( segid "alk1" and resid 36 and name HG1%) (( segid "alk1" and resid 23 and name HE1 )) 3.800 1.800 1.800 peak 551 spectrum 1 weight 0.10000E+01 volume 0.93122E-03 ppm1 1.129 ppm2 8.069 CV 1 ASSI { 553} ( segid "alk1" and resid 36 and name HG1%) (( segid "alk1" and resid 50 and name HA )) 4.400 2.400 1.600 peak 553 spectrum 1 weight 0.11000E+01 volume 0.31589E-03 ppm1 1.130 ppm2 5.218 CV 1 ASSI { 554} ( segid "alk1" and resid 36 and name HG1%) (( segid "alk1" and resid 79 and name HB2 )) 2.800 1.000 1.000 peak 554 spectrum 1 weight 0.11000E+01 volume 0.28009E-02 ppm1 1.129 ppm2 2.418 CV 1 ASSI { 556} ( segid "alk1" and resid 36 and name HG1%) (( segid "alk1" and resid 82 and name HB )) 2.800 1.000 1.000 peak 556 spectrum 1 weight 0.11000E+01 volume 0.47989E-02 ppm1 1.131 ppm2 1.528 CV 1 ASSI { 557} ( segid "alk1" and resid 36 and name HG1%) (( segid "alk1" and resid 50 and name HB2 )) 2.300 0.700 0.700 peak 557 spectrum 1 weight 0.11000E+01 volume 0.58502E-02 ppm1 1.130 ppm2 1.787 CV 1 OR { 557} ( segid "alk1" and resid 36 and name HG1%) (( segid "alk1" and resid 50 and name HB1 )) ASSI { 558} ( segid "alk1" and resid 36 and name HG1%) ( segid "alk1" and resid 36 and name HG2%) 2.000 0.500 0.500 peak 558 spectrum 1 weight 0.11000E+01 volume 0.13361E-01 ppm1 1.130 ppm2 0.894 CV 1 ASSI { 559} ( segid "alk1" and resid 36 and name HG1%) ( segid "alk1" and resid 82 and name HG2%) 2.500 0.800 0.800 peak 559 spectrum 1 weight 0.11000E+01 volume 0.35508E-02 ppm1 1.131 ppm2 0.209 CV 1 ASSI { 560} ( segid "alk1" and resid 36 and name HG1%) ( segid "alk1" and resid 84 and name HD2%) 4.100 2.100 1.900 peak 560 spectrum 1 weight 0.11000E+01 volume 0.54446E-03 ppm1 1.136 ppm2 0.582 CV 1 ASSI { 561} ( segid "alk1" and resid 36 and name HG1%) ( segid "alk1" and resid 84 and name HD1%) 3.900 1.900 1.900 peak 561 spectrum 1 weight 0.11000E+01 volume 0.91825E-03 ppm1 1.128 ppm2 0.688 CV 1 ASSI { 562} ( segid "alk1" and resid 36 and name HG1%) (( segid "alk1" and resid 84 and name HG )) 4.300 2.300 1.700 peak 562 spectrum 1 weight 0.11000E+01 volume 0.47755E-03 ppm1 1.134 ppm2 1.419 CV 1 ASSI { 563} (( segid "alk1" and resid 37 and name HB )) (( segid "alk1" and resid 49 and name HN )) 3.400 1.400 1.400 peak 563 spectrum 1 weight 0.11000E+01 volume 0.85040E-03 ppm1 1.832 ppm2 9.196 CV 1 ASSI { 566} (( segid "alk1" and resid 37 and name HB )) (( segid "alk1" and resid 37 and name HA )) 2.800 1.000 1.000 peak 566 spectrum 1 weight 0.11000E+01 volume 0.23065E-02 ppm1 1.831 ppm2 4.786 CV 1 ASSI { 567} (( segid "alk1" and resid 37 and name HB )) (( segid "alk1" and resid 70 and name HA )) 6.000 5.100 0.000 peak 567 spectrum 1 weight 0.11000E+01 volume 0.12436E-03 ppm1 1.836 ppm2 5.069 CV 1 ASSI { 568} (( segid "alk1" and resid 37 and name HB )) (( segid "alk1" and resid 49 and name HB2 )) 2.800 1.000 1.000 peak 568 spectrum 1 weight 0.11000E+01 volume 0.19687E-02 ppm1 1.832 ppm2 3.026 CV 1 ASSI { 569} (( segid "alk1" and resid 37 and name HB )) (( segid "alk1" and resid 49 and name HB1 )) 3.900 1.900 1.900 peak 569 spectrum 1 weight 0.11000E+01 volume 0.12859E-02 ppm1 1.841 ppm2 3.145 CV 1 ASSI { 570} (( segid "alk1" and resid 37 and name HB )) ( segid "alk1" and resid 37 and name HG1%) 2.300 0.600 0.600 peak 570 spectrum 1 weight 0.11000E+01 volume 0.72690E-02 ppm1 1.833 ppm2 0.671 CV 1 ASSI { 571} (( segid "alk1" and resid 37 and name HB )) ( segid "alk1" and resid 37 and name HG2%) 2.200 0.600 0.600 peak 571 spectrum 1 weight 0.11000E+01 volume 0.97849E-02 ppm1 1.833 ppm2 0.763 CV 1 ASSI { 572} ( segid "alk1" and resid 37 and name HG1%) ( segid "alk1" and resid 35 and name HG2%) 3.500 1.500 1.500 peak 572 spectrum 1 weight 0.11000E+01 volume 0.13177E-02 ppm1 0.662 ppm2 1.233 CV 1 ASSI { 574} ( segid "alk1" and resid 37 and name HG1%) (( segid "alk1" and resid 70 and name HB2 )) 3.200 1.300 1.300 peak 574 spectrum 1 weight 0.11000E+01 volume 0.21245E-02 ppm1 0.663 ppm2 3.025 CV 1 ASSI { 575} ( segid "alk1" and resid 37 and name HG1%) (( segid "alk1" and resid 70 and name HA )) 2.700 0.900 0.900 peak 575 spectrum 1 weight 0.11000E+01 volume 0.18316E-02 ppm1 0.662 ppm2 5.060 CV 1 ASSI { 576} ( segid "alk1" and resid 37 and name HG1%) (( segid "alk1" and resid 38 and name HN )) 3.300 1.400 1.400 peak 576 spectrum 1 weight 0.11000E+01 volume 0.14754E-02 ppm1 0.661 ppm2 8.455 CV 1 ASSI { 579} (( segid "alk1" and resid 38 and name HG )) (( segid "alk1" and resid 40 and name HN )) 3.500 1.500 1.500 peak 579 spectrum 1 weight 0.11000E+01 volume 0.65194E-03 ppm1 1.384 ppm2 8.665 CV 1 ASSI { 580} (( segid "alk1" and resid 38 and name HG )) (( segid "alk1" and resid 38 and name HN )) 3.800 1.800 1.800 peak 580 spectrum 1 weight 0.11000E+01 volume 0.85811E-03 ppm1 1.385 ppm2 8.457 CV 1 ASSI { 581} (( segid "alk1" and resid 38 and name HG )) (( segid "alk1" and resid 38 and name HA )) 3.300 1.400 1.400 peak 581 spectrum 1 weight 0.11000E+01 volume 0.10082E-02 ppm1 1.391 ppm2 4.880 CV 1 ASSI { 582} (( segid "alk1" and resid 38 and name HG )) (( segid "alk1" and resid 40 and name HA )) 3.000 1.100 1.100 peak 582 spectrum 1 weight 0.11000E+01 volume 0.15272E-02 ppm1 1.385 ppm2 4.522 CV 1 ASSI { 583} (( segid "alk1" and resid 38 and name HG )) (( segid "alk1" and resid 40 and name HD1 )) 2.700 0.900 0.900 peak 583 spectrum 1 weight 0.11000E+01 volume 0.29715E-02 ppm1 1.385 ppm2 3.094 CV 1 OR { 583} (( segid "alk1" and resid 38 and name HG )) (( segid "alk1" and resid 40 and name HD2 )) ASSI { 584} (( segid "alk1" and resid 38 and name HG )) (( segid "alk1" and resid 46 and name HB1 )) 3.200 1.300 1.300 peak 584 spectrum 1 weight 0.11000E+01 volume 0.14071E-02 ppm1 1.385 ppm2 2.059 CV 1 ASSI { 587} (( segid "alk1" and resid 39 and name HB )) (( segid "alk1" and resid 40 and name HN )) 4.000 2.000 2.000 peak 587 spectrum 1 weight 0.11000E+01 volume 0.68037E-03 ppm1 1.724 ppm2 8.669 CV 1 ASSI { 588} (( segid "alk1" and resid 39 and name HB )) (( segid "alk1" and resid 47 and name HN )) 3.300 1.400 1.400 peak 588 spectrum 1 weight 0.11000E+01 volume 0.80685E-03 ppm1 1.730 ppm2 8.529 CV 1 ASSI { 590} (( segid "alk1" and resid 39 and name HB )) (( segid "alk1" and resid 38 and name HA )) 5.800 4.200 0.200 peak 590 spectrum 1 weight 0.11000E+01 volume 0.15927E-03 ppm1 1.729 ppm2 4.885 CV 1 ASSI { 591} (( segid "alk1" and resid 39 and name HB )) ( segid "alk1" and resid 39 and name HG2%) 2.400 0.700 0.700 peak 591 spectrum 1 weight 0.11000E+01 volume 0.64952E-02 ppm1 1.727 ppm2 0.587 CV 1 ASSI { 592} (( segid "alk1" and resid 39 and name HB )) ( segid "alk1" and resid 39 and name HG1%) 2.300 0.700 0.700 peak 592 spectrum 1 weight 0.11000E+01 volume 0.72572E-02 ppm1 1.726 ppm2 0.793 CV 1 ASSI { 593} ( segid "alk1" and resid 39 and name HG2%) (( segid "alk1" and resid 49 and name HB2 )) 3.400 1.400 1.400 peak 593 spectrum 1 weight 0.11000E+01 volume 0.79937E-03 ppm1 0.584 ppm2 3.041 CV 1 ASSI { 594} ( segid "alk1" and resid 39 and name HG2%) (( segid "alk1" and resid 47 and name HG2 )) 4.500 2.500 1.500 peak 594 spectrum 1 weight 0.11000E+01 volume 0.38308E-03 ppm1 0.582 ppm2 2.324 CV 1 OR { 594} ( segid "alk1" and resid 39 and name HG2%) (( segid "alk1" and resid 47 and name HG1 )) ASSI { 595} ( segid "alk1" and resid 39 and name HG2%) (( segid "alk1" and resid 40 and name HN )) 4.100 2.100 1.900 peak 595 spectrum 1 weight 0.11000E+01 volume 0.11723E-02 ppm1 0.581 ppm2 8.670 CV 1 ASSI { 597} (( segid "alk1" and resid 40 and name HB1 )) (( segid "alk1" and resid 40 and name HN )) 3.200 1.200 1.200 peak 597 spectrum 1 weight 0.11000E+01 volume 0.17653E-02 ppm1 1.609 ppm2 8.670 CV 1 ASSI { 598} (( segid "alk1" and resid 40 and name HB1 )) (( segid "alk1" and resid 41 and name HN )) 3.700 1.700 1.700 peak 598 spectrum 1 weight 0.11000E+01 volume 0.69411E-03 ppm1 1.612 ppm2 8.470 CV 1 ASSI { 599} (( segid "alk1" and resid 40 and name HB1 )) (( segid "alk1" and resid 40 and name HA )) 2.800 1.000 1.000 peak 599 spectrum 1 weight 0.11000E+01 volume 0.21659E-02 ppm1 1.606 ppm2 4.526 CV 1 ASSI { 600} (( segid "alk1" and resid 40 and name HB1 )) (( segid "alk1" and resid 40 and name HD1 )) 2.900 1.000 1.000 peak 600 spectrum 1 weight 0.11000E+01 volume 0.27171E-02 ppm1 1.609 ppm2 3.096 CV 1 OR { 600} (( segid "alk1" and resid 40 and name HB1 )) (( segid "alk1" and resid 40 and name HD2 )) ASSI { 602} (( segid "alk1" and resid 40 and name HB1 )) ( segid "alk1" and resid 86 and name HD1%) 3.700 1.700 1.700 peak 602 spectrum 1 weight 0.11000E+01 volume 0.82552E-03 ppm1 1.611 ppm2 0.790 CV 1 ASSI { 603} (( segid "alk1" and resid 40 and name HB1 )) (( segid "alk1" and resid 40 and name HG2 )) 2.500 0.800 0.800 peak 603 spectrum 1 weight 0.11000E+01 volume 0.49045E-02 ppm1 1.607 ppm2 1.386 CV 1 ASSI { 604} (( segid "alk1" and resid 40 and name HB1 )) (( segid "alk1" and resid 40 and name HG1 )) 2.300 0.700 0.700 peak 604 spectrum 1 weight 0.11000E+01 volume 0.71375E-02 ppm1 1.610 ppm2 1.486 CV 1 ASSI { 605} (( segid "alk1" and resid 40 and name HB1 )) (( segid "alk1" and resid 41 and name HB1 )) 3.400 3.400 2.600 peak 605 spectrum 1 weight 0.11000E+01 volume 0.15629E-02 ppm1 1.593 ppm2 1.903 CV 1 ASSI { 606} (( segid "alk1" and resid 40 and name HB1 )) (( segid "alk1" and resid 40 and name HB2 )) 1.500 0.300 0.700 peak 606 spectrum 1 weight 0.11000E+01 volume 0.34033E-01 ppm1 1.608 ppm2 1.718 CV 1 ASSI { 608} (( segid "alk1" and resid 40 and name HG1 )) (( segid "alk1" and resid 40 and name HN )) 3.700 1.700 1.700 peak 608 spectrum 1 weight 0.11000E+01 volume 0.90011E-03 ppm1 1.478 ppm2 8.683 CV 1 ASSI { 610} (( segid "alk1" and resid 40 and name HG1 )) (( segid "alk1" and resid 40 and name HA )) 3.200 1.300 1.300 peak 610 spectrum 1 weight 0.11000E+01 volume 0.14901E-02 ppm1 1.471 ppm2 4.527 CV 1 ASSI { 611} (( segid "alk1" and resid 40 and name HG1 )) (( segid "alk1" and resid 40 and name HD1 )) 2.600 0.800 0.800 peak 611 spectrum 1 weight 0.11000E+01 volume 0.39344E-02 ppm1 1.479 ppm2 3.100 CV 1 OR { 611} (( segid "alk1" and resid 40 and name HG1 )) (( segid "alk1" and resid 40 and name HD2 )) ASSI { 612} (( segid "alk1" and resid 40 and name HG1 )) ( segid "alk1" and resid 86 and name HD1%) 3.300 3.300 2.700 peak 612 spectrum 1 weight 0.11000E+01 volume 0.13548E-02 ppm1 1.480 ppm2 0.786 CV 1 ASSI { 614} (( segid "alk1" and resid 44 and name HG2 )) (( segid "alk1" and resid 45 and name HD2 )) 4.300 2.300 1.700 peak 614 spectrum 1 weight 0.11000E+01 volume 0.24945E-03 ppm1 1.528 ppm2 7.342 CV 1 OR { 614} (( segid "alk1" and resid 44 and name HG1 )) (( segid "alk1" and resid 45 and name HD2 )) ASSI { 616} (( segid "alk1" and resid 45 and name HB1 )) (( segid "alk1" and resid 45 and name HA )) 2.600 0.800 0.800 peak 616 spectrum 1 weight 0.11000E+01 volume 0.37258E-02 ppm1 3.138 ppm2 4.851 CV 1 ASSI { 617} (( segid "alk1" and resid 45 and name HB1 )) (( segid "alk1" and resid 46 and name HD1 )) 3.400 1.500 1.500 peak 617 spectrum 1 weight 0.11000E+01 volume 0.15896E-02 ppm1 3.140 ppm2 3.840 CV 1 ASSI { 618} (( segid "alk1" and resid 45 and name HB1 )) (( segid "alk1" and resid 45 and name HB2 )) 1.500 0.300 0.700 peak 618 spectrum 1 weight 0.11000E+01 volume 0.56873E-01 ppm1 3.140 ppm2 3.214 CV 1 ASSI { 620} (( segid "alk1" and resid 45 and name HB1 )) (( segid "alk1" and resid 46 and name HD2 )) 2.700 2.700 3.300 peak 620 spectrum 1 weight 0.11000E+01 volume 0.38864E-02 ppm1 3.140 ppm2 3.446 CV 1 ASSI { 622} (( segid "alk1" and resid 45 and name HB2 )) (( segid "alk1" and resid 45 and name HA )) 2.800 1.000 1.000 peak 622 spectrum 1 weight 0.11000E+01 volume 0.36025E-02 ppm1 3.215 ppm2 4.850 CV 1 ASSI { 623} (( segid "alk1" and resid 45 and name HB2 )) (( segid "alk1" and resid 46 and name HD1 )) 3.400 3.400 2.600 peak 623 spectrum 1 weight 0.11000E+01 volume 0.17267E-02 ppm1 3.217 ppm2 3.842 CV 1 ASSI { 624} (( segid "alk1" and resid 45 and name HB2 )) (( segid "alk1" and resid 46 and name HD2 )) 3.100 3.100 2.900 peak 624 spectrum 1 weight 0.11000E+01 volume 0.27895E-02 ppm1 3.215 ppm2 3.436 CV 1 ASSI { 625} (( segid "alk1" and resid 45 and name HB2 )) (( segid "alk1" and resid 41 and name HB1 )) 3.500 1.600 1.600 peak 625 spectrum 1 weight 0.11000E+01 volume 0.61194E-03 ppm1 3.210 ppm2 1.912 CV 1 ASSI { 626} (( segid "alk1" and resid 48 and name HG2 )) (( segid "alk1" and resid 49 and name HN )) 3.900 1.900 1.900 peak 626 spectrum 1 weight 0.11000E+01 volume 0.14377E-02 ppm1 2.025 ppm2 9.193 CV 1 OR { 626} (( segid "alk1" and resid 48 and name HG1 )) (( segid "alk1" and resid 49 and name HN )) ASSI { 627} (( segid "alk1" and resid 48 and name HG1 )) (( segid "alk1" and resid 48 and name HN )) 3.000 1.100 1.100 peak 627 spectrum 1 weight 0.11000E+01 volume 0.24034E-02 ppm1 2.021 ppm2 8.754 CV 1 OR { 627} (( segid "alk1" and resid 48 and name HG2 )) (( segid "alk1" and resid 48 and name HN )) ASSI { 629} (( segid "alk1" and resid 48 and name HG1 )) (( segid "alk1" and resid 38 and name HA )) 3.900 1.900 1.900 peak 629 spectrum 1 weight 0.11000E+01 volume 0.80812E-03 ppm1 2.009 ppm2 4.885 CV 1 OR { 629} (( segid "alk1" and resid 48 and name HG2 )) (( segid "alk1" and resid 38 and name HA )) ASSI { 630} (( segid "alk1" and resid 49 and name HB1 )) ( segid "alk1" and resid 37 and name HG1%) 3.100 1.200 1.200 peak 630 spectrum 1 weight 0.11000E+01 volume 0.39491E-03 ppm1 3.151 ppm2 0.661 CV 1 ASSI { 631} (( segid "alk1" and resid 49 and name HB1 )) ( segid "alk1" and resid 37 and name HG2%) 4.100 2.100 1.900 peak 631 spectrum 1 weight 0.11000E+01 volume 0.65606E-03 ppm1 3.143 ppm2 0.771 CV 1 ASSI { 633} (( segid "alk1" and resid 49 and name HB1 )) (( segid "alk1" and resid 21 and name HB2 )) 3.700 1.700 1.700 peak 633 spectrum 1 weight 0.11000E+01 volume 0.57503E-03 ppm1 3.142 ppm2 3.791 CV 1 ASSI { 634} (( segid "alk1" and resid 49 and name HB1 )) (( segid "alk1" and resid 21 and name HB1 )) 3.100 1.200 1.200 peak 634 spectrum 1 weight 0.11000E+01 volume 0.77403E-03 ppm1 3.142 ppm2 3.984 CV 1 ASSI { 642} (( segid "alk1" and resid 49 and name HB2 )) (( segid "alk1" and resid 48 and name HA )) 5.600 3.900 0.400 peak 642 spectrum 1 weight 0.11000E+01 volume 0.15608E-03 ppm1 3.028 ppm2 5.089 CV 1 ASSI { 644} (( segid "alk1" and resid 49 and name HB2 )) (( segid "alk1" and resid 21 and name HB2 )) 4.300 2.300 1.700 peak 644 spectrum 1 weight 0.11000E+01 volume 0.61456E-03 ppm1 3.025 ppm2 3.799 CV 1 ASSI { 648} (( segid "alk1" and resid 49 and name HB2 )) ( segid "alk1" and resid 37 and name HG1%) 2.700 0.900 0.900 peak 648 spectrum 1 weight 0.11000E+01 volume 0.77142E-03 ppm1 3.029 ppm2 0.664 CV 1 ASSI { 649} (( segid "alk1" and resid 49 and name HB2 )) ( segid "alk1" and resid 37 and name HG2%) 3.100 3.100 2.900 peak 649 spectrum 1 weight 0.11000E+01 volume 0.92130E-03 ppm1 3.023 ppm2 0.773 CV 1 ASSI { 650} (( segid "alk1" and resid 54 and name HB1 )) (( segid "alk1" and resid 54 and name HD22)) 3.600 1.600 1.600 peak 650 spectrum 1 weight 0.11000E+01 volume 0.13020E-02 ppm1 2.468 ppm2 7.436 CV 1 ASSI { 652} (( segid "alk1" and resid 54 and name HB2 )) ( segid "alk1" and resid 55 and name HD2%) 5.200 3.400 0.800 peak 652 spectrum 1 weight 0.11000E+01 volume 0.29283E-03 ppm1 2.334 ppm2 0.792 CV 1 ASSI { 656} (( segid "alk1" and resid 54 and name HB2 )) (( segid "alk1" and resid 54 and name HD21)) 3.000 1.100 1.100 peak 656 spectrum 1 weight 0.11000E+01 volume 0.13974E-02 ppm1 2.345 ppm2 6.958 CV 1 ASSI { 657} (( segid "alk1" and resid 54 and name HB2 )) (( segid "alk1" and resid 54 and name HD22)) 3.300 1.300 1.300 peak 657 spectrum 1 weight 0.11000E+01 volume 0.24734E-02 ppm1 2.342 ppm2 7.420 CV 1 ASSI { 658} (( segid "alk1" and resid 56 and name HB1 )) (( segid "alk1" and resid 56 and name HD2 )) 3.500 1.500 1.500 peak 658 spectrum 1 weight 0.11000E+01 volume 0.88526E-03 ppm1 3.483 ppm2 7.311 CV 1 ASSI { 661} (( segid "alk1" and resid 56 and name HB1 )) (( segid "alk1" and resid 59 and name HG )) 2.600 0.900 0.900 peak 661 spectrum 1 weight 0.11000E+01 volume 0.21150E-02 ppm1 3.486 ppm2 1.530 CV 1 ASSI { 662} (( segid "alk1" and resid 56 and name HB1 )) ( segid "alk1" and resid 59 and name HD1%) 2.800 1.000 1.000 peak 662 spectrum 1 weight 0.11000E+01 volume 0.39169E-02 ppm1 3.486 ppm2 0.792 CV 1 ASSI { 663} (( segid "alk1" and resid 56 and name HB2 )) (( segid "alk1" and resid 56 and name HD2 )) 3.500 1.500 1.500 peak 663 spectrum 1 weight 0.11000E+01 volume 0.66856E-03 ppm1 3.140 ppm2 7.325 CV 1 ASSI { 665} (( segid "alk1" and resid 56 and name HB2 )) (( segid "alk1" and resid 59 and name HG )) 3.000 1.200 1.200 peak 665 spectrum 1 weight 0.11000E+01 volume 0.20428E-02 ppm1 3.145 ppm2 1.530 CV 1 ASSI { 666} (( segid "alk1" and resid 56 and name HB2 )) ( segid "alk1" and resid 59 and name HD1%) 2.500 0.800 0.800 peak 666 spectrum 1 weight 0.11000E+01 volume 0.40034E-02 ppm1 3.140 ppm2 0.791 CV 1 ASSI { 668} (( segid "alk1" and resid 57 and name HB1 )) (( segid "alk1" and resid 57 and name HN )) 2.900 1.100 1.100 peak 668 spectrum 1 weight 0.11000E+01 volume 0.17946E-02 ppm1 1.485 ppm2 8.876 CV 1 ASSI { 670} (( segid "alk1" and resid 57 and name HB1 )) (( segid "alk1" and resid 57 and name HD1 )) 4.100 2.100 1.900 peak 670 spectrum 1 weight 0.11000E+01 volume 0.49025E-03 ppm1 1.499 ppm2 1.961 CV 1 ASSI { 671} (( segid "alk1" and resid 57 and name HB1 )) (( segid "alk1" and resid 57 and name HD2 )) 3.500 1.500 1.500 peak 671 spectrum 1 weight 0.11000E+01 volume 0.12300E-02 ppm1 1.485 ppm2 1.675 CV 1 ASSI { 672} (( segid "alk1" and resid 57 and name HB1 )) (( segid "alk1" and resid 57 and name HG2 )) 2.900 1.000 1.000 peak 672 spectrum 1 weight 0.11000E+01 volume 0.17276E-02 ppm1 1.488 ppm2 0.757 CV 1 ASSI { 673} (( segid "alk1" and resid 57 and name HB1 )) (( segid "alk1" and resid 57 and name HG1 )) 2.600 0.800 0.800 peak 673 spectrum 1 weight 0.11000E+01 volume 0.31259E-02 ppm1 1.487 ppm2 1.186 CV 1 ASSI { 674} (( segid "alk1" and resid 57 and name HB1 )) (( segid "alk1" and resid 57 and name HB2 )) 1.900 0.500 0.500 peak 674 spectrum 1 weight 0.11000E+01 volume 0.78878E-02 ppm1 1.488 ppm2 1.313 CV 1 ASSI { 676} (( segid "alk1" and resid 57 and name HB2 )) (( segid "alk1" and resid 57 and name HG2 )) 2.900 1.100 1.100 peak 676 spectrum 1 weight 0.11000E+01 volume 0.15415E-02 ppm1 1.311 ppm2 0.753 CV 1 ASSI { 677} (( segid "alk1" and resid 57 and name HB2 )) (( segid "alk1" and resid 57 and name HG1 )) 2.900 1.000 1.000 peak 677 spectrum 1 weight 0.11000E+01 volume 0.28484E-02 ppm1 1.317 ppm2 1.190 CV 1 ASSI { 680} (( segid "alk1" and resid 57 and name HB2 )) (( segid "alk1" and resid 57 and name HD2 )) 3.100 1.200 1.200 peak 680 spectrum 1 weight 0.11000E+01 volume 0.17111E-02 ppm1 1.316 ppm2 1.666 CV 1 ASSI { 681} (( segid "alk1" and resid 57 and name HB2 )) (( segid "alk1" and resid 57 and name HD1 )) 4.200 2.200 1.800 peak 681 spectrum 1 weight 0.11000E+01 volume 0.17411E-03 ppm1 1.321 ppm2 1.972 CV 1 ASSI { 684} (( segid "alk1" and resid 57 and name HB2 )) (( segid "alk1" and resid 33 and name HZ2 )) 5.700 4.100 0.300 peak 684 spectrum 1 weight 0.11000E+01 volume 0.60135E-04 ppm1 1.305 ppm2 7.022 CV 1 ASSI { 685} (( segid "alk1" and resid 57 and name HB2 )) (( segid "alk1" and resid 57 and name HN )) 2.900 1.100 1.100 peak 685 spectrum 1 weight 0.11000E+01 volume 0.15478E-02 ppm1 1.314 ppm2 8.877 CV 1 ASSI { 686} (( segid "alk1" and resid 58 and name HG1 )) (( segid "alk1" and resid 58 and name HN )) 3.900 1.900 1.900 peak 686 spectrum 1 weight 0.11000E+01 volume 0.95466E-03 ppm1 2.079 ppm2 9.766 CV 1 ASSI { 687} (( segid "alk1" and resid 58 and name HG1 )) (( segid "alk1" and resid 59 and name HN )) 3.500 1.500 1.500 peak 687 spectrum 1 weight 0.11000E+01 volume 0.66109E-03 ppm1 2.072 ppm2 7.343 CV 1 ASSI { 689} (( segid "alk1" and resid 58 and name HG1 )) ( segid "alk1" and resid 59 and name HD2%) 3.000 1.100 1.100 peak 689 spectrum 1 weight 0.11000E+01 volume 0.16987E-02 ppm1 2.074 ppm2 0.724 CV 1 ASSI { 691} (( segid "alk1" and resid 58 and name HG2 )) (( segid "alk1" and resid 59 and name HN )) 3.600 1.600 1.600 peak 691 spectrum 1 weight 0.11000E+01 volume 0.54426E-03 ppm1 2.459 ppm2 7.344 CV 1 ASSI { 693} (( segid "alk1" and resid 58 and name HG2 )) (( segid "alk1" and resid 59 and name HG )) 3.500 1.500 1.500 peak 693 spectrum 1 weight 0.11000E+01 volume 0.77923E-03 ppm1 2.457 ppm2 1.525 CV 1 ASSI { 700} ( segid "alk1" and resid 59 and name HD2%) (( segid "alk1" and resid 59 and name HG )) 2.500 0.800 0.800 peak 700 spectrum 1 weight 0.11000E+01 volume 0.39102E-02 ppm1 0.719 ppm2 1.536 CV 1 ASSI { 702} (( segid "alk1" and resid 63 and name HB2 )) (( segid "alk1" and resid 63 and name HA )) 3.300 1.400 1.400 peak 702 spectrum 1 weight 0.11000E+01 volume 0.13105E-02 ppm1 1.713 ppm2 4.768 CV 1 ASSI { 704} (( segid "alk1" and resid 63 and name HB2 )) (( segid "alk1" and resid 64 and name HD2 )) 4.000 2.000 2.000 peak 704 spectrum 1 weight 0.11000E+01 volume 0.11434E-02 ppm1 1.707 ppm2 3.838 CV 1 ASSI { 705} (( segid "alk1" and resid 63 and name HB2 )) (( segid "alk1" and resid 64 and name HD1 )) 4.600 2.600 1.400 peak 705 spectrum 1 weight 0.11000E+01 volume 0.88922E-03 ppm1 1.709 ppm2 3.692 CV 1 ASSI { 706} (( segid "alk1" and resid 63 and name HB2 )) (( segid "alk1" and resid 63 and name HD2 )) 3.100 1.200 1.200 peak 706 spectrum 1 weight 0.11000E+01 volume 0.24912E-02 ppm1 1.708 ppm2 3.199 CV 1 OR { 706} (( segid "alk1" and resid 63 and name HB2 )) (( segid "alk1" and resid 63 and name HD1 )) ASSI { 707} (( segid "alk1" and resid 63 and name HB2 )) ( segid "alk1" and resid 65 and name HG2%) 4.600 2.600 1.400 peak 707 spectrum 1 weight 0.11000E+01 volume 0.15162E-03 ppm1 1.710 ppm2 1.208 CV 1 ASSI { 711} (( segid "alk1" and resid 67 and name HB1 )) (( segid "alk1" and resid 68 and name HN )) 4.900 3.000 1.100 peak 711 spectrum 1 weight 0.11000E+01 volume 0.24518E-03 ppm1 3.272 ppm2 7.801 CV 1 ASSI { 713} (( segid "alk1" and resid 67 and name HB1 )) ( segid "alk1" and resid 67 and name HE% ) 5.700 4.100 0.300 peak 713 spectrum 1 weight 0.11000E+01 volume 0.13946E-03 ppm1 3.276 ppm2 7.293 CV 1 ASSI { 714} (( segid "alk1" and resid 67 and name HB1 )) (( segid "alk1" and resid 67 and name HA )) 3.500 1.500 1.500 peak 714 spectrum 1 weight 0.11000E+01 volume 0.51298E-03 ppm1 3.273 ppm2 4.601 CV 1 ASSI { 716} (( segid "alk1" and resid 67 and name HB1 )) ( segid "alk1" and resid 68 and name HG1%) 4.700 4.700 1.300 peak 716 spectrum 1 weight 0.11000E+01 volume 0.32661E-03 ppm1 3.276 ppm2 0.976 CV 1 OR { 716} (( segid "alk1" and resid 67 and name HB1 )) ( segid "alk1" and resid 68 and name HG2%) ASSI { 717} (( segid "alk1" and resid 68 and name HB )) (( segid "alk1" and resid 69 and name HN )) 3.600 1.600 1.600 peak 717 spectrum 1 weight 0.11000E+01 volume 0.80477E-03 ppm1 2.085 ppm2 8.462 CV 1 ASSI { 719} (( segid "alk1" and resid 68 and name HB )) ( segid "alk1" and resid 68 and name HG2%) 2.000 0.500 0.500 peak 719 spectrum 1 weight 0.11000E+01 volume 0.15905E-01 ppm1 2.087 ppm2 0.966 CV 1 ASSI { 720} (( segid "alk1" and resid 68 and name HB )) ( segid "alk1" and resid 39 and name HG2%) 2.800 2.800 3.200 peak 720 spectrum 1 weight 0.11000E+01 volume 0.61228E-03 ppm1 2.085 ppm2 0.561 CV 1 ASSI { 722} (( segid "alk1" and resid 69 and name HB1 )) (( segid "alk1" and resid 69 and name HN )) 3.100 1.200 1.200 peak 722 spectrum 1 weight 0.11000E+01 volume 0.14225E-02 ppm1 2.832 ppm2 8.463 CV 1 ASSI { 724} (( segid "alk1" and resid 69 and name HB1 )) (( segid "alk1" and resid 69 and name HD22)) 3.800 1.800 1.800 peak 724 spectrum 1 weight 0.11000E+01 volume 0.14730E-02 ppm1 2.826 ppm2 7.546 CV 1 ASSI { 725} (( segid "alk1" and resid 69 and name HB1 )) (( segid "alk1" and resid 69 and name HD21)) 3.100 1.200 1.200 peak 725 spectrum 1 weight 0.11000E+01 volume 0.82365E-03 ppm1 2.826 ppm2 6.899 CV 1 ASSI { 726} (( segid "alk1" and resid 69 and name HB1 )) (( segid "alk1" and resid 69 and name HA )) 2.700 0.900 0.900 peak 726 spectrum 1 weight 0.11000E+01 volume 0.32924E-02 ppm1 2.828 ppm2 4.898 CV 1 ASSI { 727} (( segid "alk1" and resid 69 and name HB1 )) (( segid "alk1" and resid 38 and name HB1 )) 3.000 1.100 1.100 peak 727 spectrum 1 weight 0.11000E+01 volume 0.11800E-02 ppm1 2.833 ppm2 1.677 CV 1 ASSI { 728} (( segid "alk1" and resid 69 and name HB1 )) (( segid "alk1" and resid 38 and name HB2 )) 3.900 1.900 1.900 peak 728 spectrum 1 weight 0.11000E+01 volume 0.80454E-03 ppm1 2.829 ppm2 1.455 CV 1 ASSI { 729} (( segid "alk1" and resid 69 and name HB1 )) ( segid "alk1" and resid 86 and name HD2%) 3.200 3.200 2.800 peak 729 spectrum 1 weight 0.11000E+01 volume 0.18356E-02 ppm1 2.834 ppm2 0.766 CV 1 ASSI { 731} (( segid "alk1" and resid 69 and name HB2 )) (( segid "alk1" and resid 69 and name HN )) 3.100 1.200 1.200 peak 731 spectrum 1 weight 0.11000E+01 volume 0.14312E-02 ppm1 2.955 ppm2 8.462 CV 1 ASSI { 732} (( segid "alk1" and resid 69 and name HB2 )) (( segid "alk1" and resid 70 and name HN )) 5.700 4.000 0.300 peak 732 spectrum 1 weight 0.11000E+01 volume 0.94554E-04 ppm1 2.948 ppm2 8.108 CV 1 ASSI { 733} (( segid "alk1" and resid 69 and name HB2 )) (( segid "alk1" and resid 69 and name HD22)) 3.800 1.800 1.800 peak 733 spectrum 1 weight 0.11000E+01 volume 0.12780E-02 ppm1 2.952 ppm2 7.542 CV 1 ASSI { 734} (( segid "alk1" and resid 69 and name HB2 )) (( segid "alk1" and resid 69 and name HD21)) 3.200 1.300 1.300 peak 734 spectrum 1 weight 0.11000E+01 volume 0.91024E-03 ppm1 2.960 ppm2 6.902 CV 1 ASSI { 735} (( segid "alk1" and resid 69 and name HB2 )) (( segid "alk1" and resid 69 and name HA )) 2.800 1.000 1.000 peak 735 spectrum 1 weight 0.11000E+01 volume 0.25057E-02 ppm1 2.958 ppm2 4.905 CV 1 ASSI { 738} (( segid "alk1" and resid 69 and name HB2 )) (( segid "alk1" and resid 69 and name HB1 )) 1.700 0.300 0.500 peak 738 spectrum 1 weight 0.11000E+01 volume 0.21211E-01 ppm1 2.957 ppm2 2.836 CV 1 ASSI { 739} (( segid "alk1" and resid 70 and name HB1 )) ( segid "alk1" and resid 37 and name HG1%) 3.600 1.600 1.600 peak 739 spectrum 1 weight 0.11000E+01 volume 0.61942E-03 ppm1 3.342 ppm2 0.668 CV 1 ASSI { 740} (( segid "alk1" and resid 70 and name HB1 )) ( segid "alk1" and resid 37 and name HG2%) 2.700 0.900 0.900 peak 740 spectrum 1 weight 0.11000E+01 volume 0.92371E-03 ppm1 3.342 ppm2 0.768 CV 1 ASSI { 741} (( segid "alk1" and resid 70 and name HB1 )) ( segid "alk1" and resid 68 and name HG2%) 4.800 2.800 1.200 peak 741 spectrum 1 weight 0.11000E+01 volume 0.12637E-03 ppm1 3.341 ppm2 0.969 CV 1 ASSI { 742} (( segid "alk1" and resid 70 and name HB1 )) (( segid "alk1" and resid 70 and name HB2 )) 1.800 0.400 0.400 peak 742 spectrum 1 weight 0.11000E+01 volume 0.13581E-01 ppm1 3.340 ppm2 3.004 CV 1 ASSI { 744} (( segid "alk1" and resid 70 and name HB1 )) (( segid "alk1" and resid 60 and name HA )) 4.400 2.400 1.600 peak 744 spectrum 1 weight 0.11000E+01 volume 0.25365E-03 ppm1 3.339 ppm2 4.259 CV 1 ASSI { 746} (( segid "alk1" and resid 70 and name HB1 )) (( segid "alk1" and resid 70 and name HD2 )) 4.500 2.500 1.500 peak 746 spectrum 1 weight 0.11000E+01 volume 0.17317E-03 ppm1 3.344 ppm2 6.901 CV 1 ASSI { 747} (( segid "alk1" and resid 70 and name HB1 )) (( segid "alk1" and resid 70 and name HN )) 3.100 1.200 1.200 peak 747 spectrum 1 weight 0.11000E+01 volume 0.14455E-02 ppm1 3.341 ppm2 8.112 CV 1 ASSI { 750} (( segid "alk1" and resid 70 and name HB2 )) (( segid "alk1" and resid 60 and name HA )) 3.800 1.800 1.800 peak 750 spectrum 1 weight 0.11000E+01 volume 0.37818E-03 ppm1 3.001 ppm2 4.254 CV 1 ASSI { 751} (( segid "alk1" and resid 70 and name HB2 )) (( segid "alk1" and resid 71 and name HA )) 4.200 2.200 1.800 peak 751 spectrum 1 weight 0.11000E+01 volume 0.27609E-03 ppm1 3.007 ppm2 4.929 CV 1 ASSI { 752} (( segid "alk1" and resid 70 and name HB2 )) (( segid "alk1" and resid 70 and name HN )) 3.100 1.200 1.200 peak 752 spectrum 1 weight 0.11000E+01 volume 0.16691E-02 ppm1 3.005 ppm2 8.112 CV 1 ASSI { 753} (( segid "alk1" and resid 70 and name HB2 )) (( segid "alk1" and resid 71 and name HN )) 3.800 1.800 1.800 peak 753 spectrum 1 weight 0.11000E+01 volume 0.87068E-03 ppm1 3.002 ppm2 9.070 CV 1 ASSI { 754} (( segid "alk1" and resid 70 and name HB2 )) (( segid "alk1" and resid 70 and name HD2 )) 5.000 3.100 1.000 peak 754 spectrum 1 weight 0.11000E+01 volume 0.87061E-04 ppm1 3.002 ppm2 6.900 CV 1 ASSI { 757} (( segid "alk1" and resid 71 and name HB2 )) ( segid "alk1" and resid 84 and name HD2%) 4.500 2.500 1.500 peak 757 spectrum 1 weight 0.11000E+01 volume 0.55398E-03 ppm1 2.843 ppm2 0.553 CV 1 ASSI { 762} (( segid "alk1" and resid 74 and name HB2 )) (( segid "alk1" and resid 73 and name HA )) 4.700 2.800 1.300 peak 762 spectrum 1 weight 0.11000E+01 volume 0.19643E-03 ppm1 2.650 ppm2 4.786 CV 1 ASSI { 763} (( segid "alk1" and resid 74 and name HB2 )) ( segid "alk1" and resid 15 and name HG2%) 3.800 1.800 1.800 peak 763 spectrum 1 weight 0.11000E+01 volume 0.84326E-03 ppm1 2.660 ppm2 0.789 CV 1 OR { 763} (( segid "alk1" and resid 74 and name HB2 )) ( segid "alk1" and resid 15 and name HG1%) ASSI { 765} (( segid "alk1" and resid 76 and name HB1 )) (( segid "alk1" and resid 76 and name HD2 )) 3.300 1.400 1.400 peak 765 spectrum 1 weight 0.11000E+01 volume 0.10506E-02 ppm1 3.067 ppm2 7.023 CV 1 OR { 765} (( segid "alk1" and resid 76 and name HB2 )) (( segid "alk1" and resid 76 and name HD2 )) ASSI { 766} (( segid "alk1" and resid 76 and name HB2 )) (( segid "alk1" and resid 75 and name HA )) 4.100 2.100 1.900 peak 766 spectrum 1 weight 0.11000E+01 volume 0.94131E-03 ppm1 3.067 ppm2 4.890 CV 1 OR { 766} (( segid "alk1" and resid 76 and name HB1 )) (( segid "alk1" and resid 75 and name HA )) ASSI { 767} (( segid "alk1" and resid 76 and name HB2 )) (( segid "alk1" and resid 75 and name HB2 )) 4.500 2.600 1.500 peak 767 spectrum 1 weight 0.11000E+01 volume 0.38321E-03 ppm1 3.067 ppm2 4.059 CV 1 OR { 767} (( segid "alk1" and resid 76 and name HB1 )) (( segid "alk1" and resid 75 and name HB2 )) ASSI { 768} (( segid "alk1" and resid 76 and name HB2 )) ( segid "alk1" and resid 15 and name HG1%) 3.500 1.500 1.500 peak 768 spectrum 1 weight 0.11000E+01 volume 0.13026E-02 ppm1 3.070 ppm2 0.786 CV 1 OR { 768} (( segid "alk1" and resid 76 and name HB1 )) ( segid "alk1" and resid 15 and name HG1%) ASSI { 769} (( segid "alk1" and resid 76 and name HB1 )) ( segid "alk1" and resid 77 and name HD2%) 3.700 1.700 1.700 peak 769 spectrum 1 weight 0.11000E+01 volume 0.93910E-03 ppm1 3.067 ppm2 0.535 CV 1 OR { 769} (( segid "alk1" and resid 76 and name HB2 )) ( segid "alk1" and resid 77 and name HD2%) ASSI { 770} ( segid "alk1" and resid 77 and name HD1%) (( segid "alk1" and resid 77 and name HA )) 4.800 2.900 1.200 peak 770 spectrum 1 weight 0.11000E+01 volume 0.37007E-03 ppm1 0.621 ppm2 3.774 CV 1 ASSI { 771} ( segid "alk1" and resid 77 and name HD1%) (( segid "alk1" and resid 76 and name HD2 )) 4.000 2.000 2.000 peak 771 spectrum 1 weight 0.11000E+01 volume 0.77939E-04 ppm1 0.624 ppm2 7.042 CV 1 ASSI { 774} ( segid "alk1" and resid 77 and name HD1%) ( segid "alk1" and resid 16 and name HG2%) 4.200 2.200 1.800 peak 774 spectrum 1 weight 0.11000E+01 volume 0.65070E-03 ppm1 0.623 ppm2 1.164 CV 1 ASSI { 775} ( segid "alk1" and resid 77 and name HD1%) ( segid "alk1" and resid 28 and name HG2%) 2.900 2.900 3.100 peak 775 spectrum 1 weight 0.11000E+01 volume 0.59481E-03 ppm1 0.622 ppm2 0.977 CV 1 ASSI { 782} ( segid "alk1" and resid 77 and name HD2%) ( segid "alk1" and resid 28 and name HG2%) 2.100 2.100 3.900 peak 782 spectrum 1 weight 0.11000E+01 volume 0.33383E-02 ppm1 0.532 ppm2 0.982 CV 1 ASSI { 783} (( segid "alk1" and resid 79 and name HB1 )) (( segid "alk1" and resid 79 and name HN )) 3.600 1.600 1.600 peak 783 spectrum 1 weight 0.11000E+01 volume 0.49327E-03 ppm1 3.277 ppm2 8.437 CV 1 ASSI { 788} (( segid "alk1" and resid 79 and name HB1 )) (( segid "alk1" and resid 79 and name HB2 )) 2.000 0.500 0.500 peak 788 spectrum 1 weight 0.11000E+01 volume 0.54114E-02 ppm1 3.273 ppm2 2.418 CV 1 ASSI { 790} (( segid "alk1" and resid 79 and name HB1 )) (( segid "alk1" and resid 50 and name HB1 )) 4.800 2.900 1.200 peak 790 spectrum 1 weight 0.11000E+01 volume 0.15525E-03 ppm1 3.282 ppm2 1.800 CV 1 ASSI { 793} (( segid "alk1" and resid 79 and name HB2 )) (( segid "alk1" and resid 34 and name HA )) 5.300 3.500 0.700 peak 793 spectrum 1 weight 0.11000E+01 volume 0.13220E-03 ppm1 2.416 ppm2 5.899 CV 1 ASSI { 794} (( segid "alk1" and resid 79 and name HB2 )) (( segid "alk1" and resid 79 and name HA )) 2.700 0.900 0.900 peak 794 spectrum 1 weight 0.11000E+01 volume 0.26959E-02 ppm1 2.416 ppm2 4.429 CV 1 ASSI { 795} (( segid "alk1" and resid 79 and name HB2 )) ( segid "alk1" and resid 82 and name HG1%) 4.900 3.000 1.100 peak 795 spectrum 1 weight 0.11000E+01 volume 0.10712E-03 ppm1 2.421 ppm2 0.796 CV 1 ASSI { 797} (( segid "alk1" and resid 79 and name HB2 )) (( segid "alk1" and resid 82 and name HB )) 6.000 4.800 0.000 peak 797 spectrum 1 weight 0.11000E+01 volume 0.73853E-04 ppm1 2.416 ppm2 1.520 CV 1 ASSI { 798} (( segid "alk1" and resid 79 and name HB2 )) (( segid "alk1" and resid 50 and name HB1 )) 4.400 2.400 1.600 peak 798 spectrum 1 weight 0.11000E+01 volume 0.11067E-03 ppm1 2.414 ppm2 1.794 CV 1 OR { 798} (( segid "alk1" and resid 79 and name HB2 )) (( segid "alk1" and resid 50 and name HB2 )) ASSI { 799} (( segid "alk1" and resid 80 and name HB1 )) (( segid "alk1" and resid 81 and name HN )) 3.100 1.200 1.200 peak 799 spectrum 1 weight 0.11000E+01 volume 0.11450E-02 ppm1 3.209 ppm2 8.445 CV 1 ASSI { 801} (( segid "alk1" and resid 80 and name HB1 )) (( segid "alk1" and resid 77 and name HB1 )) 2.800 1.000 1.000 peak 801 spectrum 1 weight 0.11000E+01 volume 0.20095E-02 ppm1 3.202 ppm2 1.601 CV 1 ASSI { 802} (( segid "alk1" and resid 80 and name HB1 )) ( segid "alk1" and resid 77 and name HD2%) 4.100 2.100 1.900 peak 802 spectrum 1 weight 0.11000E+01 volume 0.10383E-02 ppm1 3.203 ppm2 0.538 CV 1 ASSI { 805} (( segid "alk1" and resid 80 and name HB2 )) (( segid "alk1" and resid 80 and name HD2 )) 5.500 3.700 0.500 peak 805 spectrum 1 weight 0.11000E+01 volume 0.54798E-04 ppm1 3.378 ppm2 7.283 CV 1 ASSI { 808} (( segid "alk1" and resid 80 and name HB2 )) (( segid "alk1" and resid 80 and name HB1 )) 1.700 0.400 0.500 peak 808 spectrum 1 weight 0.11000E+01 volume 0.14655E-01 ppm1 3.383 ppm2 3.208 CV 1 ASSI { 810} (( segid "alk1" and resid 80 and name HB2 )) (( segid "alk1" and resid 18 and name HB )) 2.900 1.100 1.100 peak 810 spectrum 1 weight 0.11000E+01 volume 0.26858E-02 ppm1 3.383 ppm2 3.496 CV 1 ASSI { 811} (( segid "alk1" and resid 80 and name HB2 )) (( segid "alk1" and resid 77 and name HB1 )) 2.600 0.900 0.900 peak 811 spectrum 1 weight 0.11000E+01 volume 0.19878E-02 ppm1 3.384 ppm2 1.594 CV 1 ASSI { 812} (( segid "alk1" and resid 80 and name HB2 )) ( segid "alk1" and resid 18 and name HG2%) 2.900 2.900 3.100 peak 812 spectrum 1 weight 0.11000E+01 volume 0.49769E-03 ppm1 3.387 ppm2 1.223 CV 1 ASSI { 813} (( segid "alk1" and resid 80 and name HB2 )) ( segid "alk1" and resid 77 and name HD1%) 5.000 3.100 1.000 peak 813 spectrum 1 weight 0.11000E+01 volume 0.16794E-03 ppm1 3.384 ppm2 0.629 CV 1 ASSI { 814} (( segid "alk1" and resid 80 and name HB2 )) ( segid "alk1" and resid 77 and name HD2%) 3.300 1.300 1.300 peak 814 spectrum 1 weight 0.11000E+01 volume 0.10149E-02 ppm1 3.383 ppm2 0.535 CV 1 ASSI { 815} (( segid "alk1" and resid 81 and name HB1 )) (( segid "alk1" and resid 81 and name HN )) 3.800 1.800 1.800 peak 815 spectrum 1 weight 0.11000E+01 volume 0.64798E-03 ppm1 2.743 ppm2 8.451 CV 1 ASSI { 816} (( segid "alk1" and resid 81 and name HB1 )) (( segid "alk1" and resid 81 and name HD22)) 3.800 1.800 1.800 peak 816 spectrum 1 weight 0.11000E+01 volume 0.13916E-02 ppm1 2.742 ppm2 7.497 CV 1 ASSI { 817} (( segid "alk1" and resid 81 and name HB1 )) (( segid "alk1" and resid 81 and name HD21)) 3.600 1.600 1.600 peak 817 spectrum 1 weight 0.11000E+01 volume 0.56028E-03 ppm1 2.734 ppm2 6.814 CV 1 ASSI { 819} (( segid "alk1" and resid 81 and name HB2 )) (( segid "alk1" and resid 81 and name HN )) 3.400 1.500 1.500 peak 819 spectrum 1 weight 0.11000E+01 volume 0.78674E-03 ppm1 2.593 ppm2 8.457 CV 1 ASSI { 820} (( segid "alk1" and resid 81 and name HB2 )) (( segid "alk1" and resid 81 and name HD22)) 3.700 1.700 1.700 peak 820 spectrum 1 weight 0.11000E+01 volume 0.16396E-02 ppm1 2.591 ppm2 7.500 CV 1 ASSI { 821} (( segid "alk1" and resid 81 and name HB2 )) (( segid "alk1" and resid 81 and name HD21)) 3.200 1.300 1.300 peak 821 spectrum 1 weight 0.11000E+01 volume 0.94758E-03 ppm1 2.594 ppm2 6.809 CV 1 ASSI { 823} (( segid "alk1" and resid 81 and name HB2 )) (( segid "alk1" and resid 81 and name HA )) 2.900 1.000 1.000 peak 823 spectrum 1 weight 0.11000E+01 volume 0.27018E-02 ppm1 2.594 ppm2 4.565 CV 1 ASSI { 824} (( segid "alk1" and resid 81 and name HB2 )) ( segid "alk1" and resid 82 and name HG1%) 6.000 4.900 0.000 peak 824 spectrum 1 weight 0.11000E+01 volume 0.63383E-04 ppm1 2.588 ppm2 0.808 CV 1 ASSI { 825} (( segid "alk1" and resid 81 and name HB2 )) (( segid "alk1" and resid 94 and name HB1 )) 6.000 4.900 0.000 peak 825 spectrum 1 weight 0.11000E+01 volume 0.34472E-04 ppm1 2.595 ppm2 1.924 CV 1 ASSI { 826} (( segid "alk1" and resid 82 and name HB )) (( segid "alk1" and resid 94 and name HN )) 4.000 2.000 2.000 peak 826 spectrum 1 weight 0.11000E+01 volume 0.59756E-03 ppm1 1.529 ppm2 8.365 CV 1 ASSI { 828} (( segid "alk1" and resid 82 and name HB )) ( segid "alk1" and resid 71 and name HD% ) 3.700 1.800 1.800 peak 828 spectrum 1 weight 0.11000E+01 volume 0.66592E-03 ppm1 1.527 ppm2 6.827 CV 1 ASSI { 830} (( segid "alk1" and resid 82 and name HB )) ( segid "alk1" and resid 71 and name HE% ) 3.400 3.400 2.600 peak 830 spectrum 1 weight 0.11000E+01 volume 0.22619E-03 ppm1 1.522 ppm2 6.579 CV 1 ASSI { 834} (( segid "alk1" and resid 82 and name HB )) (( segid "alk1" and resid 71 and name HB1 )) 6.000 6.000 0.000 peak 834 spectrum 1 weight 0.11000E+01 volume 0.24606E-04 ppm1 1.514 ppm2 2.978 CV 1 ASSI { 835} (( segid "alk1" and resid 82 and name HB )) ( segid "alk1" and resid 82 and name HG2%) 2.200 0.600 0.600 peak 835 spectrum 1 weight 0.11000E+01 volume 0.70001E-02 ppm1 1.528 ppm2 0.210 CV 1 ASSI { 836} (( segid "alk1" and resid 82 and name HB )) ( segid "alk1" and resid 82 and name HG1%) 2.200 0.600 0.600 peak 836 spectrum 1 weight 0.11000E+01 volume 0.76689E-02 ppm1 1.527 ppm2 0.802 CV 1 ASSI { 840} ( segid "alk1" and resid 82 and name HG2%) ( segid "alk1" and resid 82 and name HG1%) 2.100 0.500 0.500 peak 840 spectrum 1 weight 0.11000E+01 volume 0.12878E-01 ppm1 0.207 ppm2 0.800 CV 1 ASSI { 842} ( segid "alk1" and resid 82 and name HG2%) ( segid "alk1" and resid 71 and name HE% ) 2.600 2.600 3.400 peak 842 spectrum 1 weight 0.11000E+01 volume 0.94406E-03 ppm1 0.208 ppm2 6.578 CV 1 ASSI { 843} ( segid "alk1" and resid 82 and name HG2%) (( segid "alk1" and resid 82 and name HN )) 3.900 1.900 1.900 peak 843 spectrum 1 weight 0.11000E+01 volume 0.12961E-02 ppm1 0.207 ppm2 6.689 CV 1 ASSI { 844} ( segid "alk1" and resid 82 and name HG2%) ( segid "alk1" and resid 71 and name HD% ) 3.900 1.900 1.900 peak 844 spectrum 1 weight 0.11000E+01 volume 0.28359E-03 ppm1 0.207 ppm2 6.862 CV 1 ASSI { 845} ( segid "alk1" and resid 82 and name HG2%) (( segid "alk1" and resid 36 and name HB )) 3.700 1.700 1.700 peak 845 spectrum 1 weight 0.11000E+01 volume 0.96542E-03 ppm1 0.210 ppm2 1.947 CV 1 ASSI { 846} ( segid "alk1" and resid 82 and name HG2%) (( segid "alk1" and resid 83 and name HA )) 4.600 2.600 1.400 peak 846 spectrum 1 weight 0.11000E+01 volume 0.34359E-03 ppm1 0.207 ppm2 4.837 CV 1 ASSI { 848} (( segid "alk1" and resid 84 and name HB1 )) (( segid "alk1" and resid 86 and name HN )) 4.100 2.100 1.900 peak 848 spectrum 1 weight 0.11000E+01 volume 0.36340E-03 ppm1 1.542 ppm2 8.057 CV 1 OR { 848} (( segid "alk1" and resid 84 and name HB2 )) (( segid "alk1" and resid 86 and name HN )) ASSI { 851} ( segid "alk1" and resid 84 and name HD1%) (( segid "alk1" and resid 37 and name HN )) 3.400 1.500 1.500 peak 851 spectrum 1 weight 0.11000E+01 volume 0.55613E-03 ppm1 0.693 ppm2 9.061 CV 1 ASSI { 852} ( segid "alk1" and resid 84 and name HD1%) (( segid "alk1" and resid 38 and name HN )) 3.500 1.500 1.500 peak 852 spectrum 1 weight 0.11000E+01 volume 0.73377E-03 ppm1 0.693 ppm2 8.449 CV 1 ASSI { 853} ( segid "alk1" and resid 84 and name HD1%) (( segid "alk1" and resid 48 and name HA )) 4.400 4.400 1.600 peak 853 spectrum 1 weight 0.11000E+01 volume 0.14479E-03 ppm1 0.690 ppm2 5.057 CV 1 ASSI { 854} ( segid "alk1" and resid 84 and name HD1%) (( segid "alk1" and resid 38 and name HA )) 3.200 1.300 1.300 peak 854 spectrum 1 weight 0.11000E+01 volume 0.10990E-02 ppm1 0.694 ppm2 4.904 CV 1 ASSI { 856} ( segid "alk1" and resid 84 and name HD1%) (( segid "alk1" and resid 84 and name HA )) 5.100 3.200 0.900 peak 856 spectrum 1 weight 0.11000E+01 volume 0.10390E-03 ppm1 0.692 ppm2 4.374 CV 1 ASSI { 857} ( segid "alk1" and resid 84 and name HD1%) (( segid "alk1" and resid 71 and name HB1 )) 2.500 2.500 3.500 peak 857 spectrum 1 weight 0.11000E+01 volume 0.13531E-02 ppm1 0.693 ppm2 2.949 CV 1 ASSI { 858} ( segid "alk1" and resid 84 and name HD1%) (( segid "alk1" and resid 69 and name HB1 )) 3.100 1.200 1.200 peak 858 spectrum 1 weight 0.11000E+01 volume 0.12121E-02 ppm1 0.693 ppm2 2.836 CV 1 ASSI { 860} ( segid "alk1" and resid 84 and name HD1%) (( segid "alk1" and resid 38 and name HB1 )) 3.600 1.700 1.700 peak 860 spectrum 1 weight 0.11000E+01 volume 0.90893E-03 ppm1 0.694 ppm2 1.658 CV 1 ASSI { 861} ( segid "alk1" and resid 84 and name HD1%) (( segid "alk1" and resid 84 and name HB1 )) 2.500 0.800 0.800 peak 861 spectrum 1 weight 0.11000E+01 volume 0.52505E-02 ppm1 0.694 ppm2 1.537 CV 1 OR { 861} ( segid "alk1" and resid 84 and name HD1%) (( segid "alk1" and resid 84 and name HB2 )) ASSI { 864} ( segid "alk1" and resid 84 and name HD2%) (( segid "alk1" and resid 71 and name HB1 )) 2.300 2.300 3.700 peak 864 spectrum 1 weight 0.11000E+01 volume 0.19513E-02 ppm1 0.560 ppm2 2.940 CV 1 ASSI { 866} ( segid "alk1" and resid 84 and name HD2%) (( segid "alk1" and resid 85 and name HN )) 4.000 2.000 2.000 peak 866 spectrum 1 weight 0.11000E+01 volume 0.48536E-03 ppm1 0.557 ppm2 7.831 CV 1 ASSI { 868} ( segid "alk1" and resid 84 and name HD2%) (( segid "alk1" and resid 36 and name HB )) 3.100 1.200 1.200 peak 868 spectrum 1 weight 0.11000E+01 volume 0.14454E-02 ppm1 0.557 ppm2 1.957 CV 1 ASSI { 869} ( segid "alk1" and resid 84 and name HD2%) (( segid "alk1" and resid 84 and name HB1 )) 2.600 0.900 0.900 peak 869 spectrum 1 weight 0.11000E+01 volume 0.45415E-02 ppm1 0.561 ppm2 1.537 CV 1 OR { 869} ( segid "alk1" and resid 84 and name HD2%) (( segid "alk1" and resid 84 and name HB2 )) ASSI { 870} ( segid "alk1" and resid 84 and name HD2%) (( segid "alk1" and resid 84 and name HG )) 2.500 0.800 0.800 peak 870 spectrum 1 weight 0.11000E+01 volume 0.35059E-02 ppm1 0.560 ppm2 1.412 CV 1 ASSI { 871} ( segid "alk1" and resid 84 and name HD2%) ( segid "alk1" and resid 36 and name HG2%) 2.600 0.800 0.800 peak 871 spectrum 1 weight 0.11000E+01 volume 0.36538E-02 ppm1 0.561 ppm2 0.910 CV 1 ASSI { 872} ( segid "alk1" and resid 84 and name HD2%) ( segid "alk1" and resid 84 and name HD1%) 1.500 0.300 0.700 peak 872 spectrum 1 weight 0.11000E+01 volume 0.93726E-01 ppm1 0.561 ppm2 0.686 CV 1 ASSI { 873} ( segid "alk1" and resid 84 and name HD2%) ( segid "alk1" and resid 82 and name HG2%) 3.800 1.800 1.800 peak 873 spectrum 1 weight 0.10000E+01 volume 0.11553E-03 ppm1 0.557 ppm2 0.215 CV 1 ASSI { 874} (( segid "alk1" and resid 85 and name HB )) ( segid "alk1" and resid 85 and name HG2%) 1.900 0.500 0.500 peak 874 spectrum 1 weight 0.11000E+01 volume 0.21128E-01 ppm1 1.936 ppm2 0.790 CV 1 OR { 874} (( segid "alk1" and resid 85 and name HB )) ( segid "alk1" and resid 85 and name HG1%) ASSI { 876} (( segid "alk1" and resid 85 and name HB )) (( segid "alk1" and resid 85 and name HA )) 2.600 0.800 0.800 peak 876 spectrum 1 weight 0.11000E+01 volume 0.35156E-02 ppm1 1.933 ppm2 3.953 CV 1 ASSI { 877} (( segid "alk1" and resid 85 and name HB )) (( segid "alk1" and resid 86 and name HN )) 3.300 1.400 1.400 peak 877 spectrum 1 weight 0.11000E+01 volume 0.18198E-02 ppm1 1.934 ppm2 8.062 CV 1 ASSI { 880} (( segid "alk1" and resid 54 and name HB1 )) (( segid "alk1" and resid 55 and name HG )) 3.300 1.300 1.300 peak 880 spectrum 1 weight 0.11000E+01 volume 0.71372E-03 ppm1 2.483 ppm2 1.354 CV 1 ASSI { 881} (( segid "alk1" and resid 54 and name HB1 )) ( segid "alk1" and resid 55 and name HD1%) 3.800 1.800 1.800 peak 881 spectrum 1 weight 0.11000E+01 volume 0.80283E-03 ppm1 2.481 ppm2 0.829 CV 1 ASSI { 882} ( segid "alk1" and resid 7 and name HG1%) (( segid "alk1" and resid 55 and name HB2 )) 2.100 2.100 3.900 peak 882 spectrum 1 weight 0.11000E+01 volume 0.33084E-02 ppm1 0.917 ppm2 1.205 CV 1 ASSI { 883} ( segid "alk1" and resid 16 and name HG2%) ( segid "alk1" and resid 77 and name HD2%) 2.200 0.600 0.600 peak 883 spectrum 1 weight 0.11000E+01 volume 0.86532E-02 ppm1 1.157 ppm2 0.535 CV 1 ASSI { 884} ( segid "alk1" and resid 18 and name HG2%) ( segid "alk1" and resid 77 and name HD2%) 4.000 2.000 2.000 peak 884 spectrum 1 weight 0.11000E+01 volume 0.79522E-03 ppm1 1.221 ppm2 0.543 CV 1 ASSI { 886} ( segid "alk1" and resid 38 and name HD1%) (( segid "alk1" and resid 46 and name HB1 )) 2.800 1.000 1.000 peak 886 spectrum 1 weight 0.11000E+01 volume 0.29537E-02 ppm1 0.770 ppm2 2.039 CV 1 ASSI { 888} ( segid "alk1" and resid 38 and name HD1%) (( segid "alk1" and resid 38 and name HG )) 2.400 0.700 0.700 peak 888 spectrum 1 weight 0.11000E+01 volume 0.47138E-02 ppm1 0.767 ppm2 1.392 CV 1 ASSI { 890} ( segid "alk1" and resid 14 and name HD2%) (( segid "alk1" and resid 33 and name HN )) 6.000 4.600 0.000 peak 890 spectrum 1 weight 0.11000E+01 volume 0.67966E-04 ppm1 0.630 ppm2 7.837 CV 1 ASSI { 892} (( segid "alk1" and resid 54 and name HB2 )) (( segid "alk1" and resid 55 and name HG )) 3.900 1.900 1.900 peak 892 spectrum 1 weight 0.11000E+01 volume 0.94695E-03 ppm1 2.349 ppm2 1.353 CV 1 ASSI { 893} (( segid "alk1" and resid 47 and name HB2 )) ( segid "alk1" and resid 39 and name HG2%) 5.500 3.800 0.500 peak 893 spectrum 1 weight 0.11000E+01 volume 0.43460E-04 ppm1 1.796 ppm2 0.575 CV 1 ASSI { 895} (( segid "alk1" and resid 46 and name HB2 )) (( segid "alk1" and resid 46 and name HD1 )) 6.000 5.500 0.000 peak 895 spectrum 1 weight 0.11000E+01 volume 0.51700E-04 ppm1 1.782 ppm2 3.840 CV 1 ASSI { 896} (( segid "alk1" and resid 46 and name HB2 )) (( segid "alk1" and resid 45 and name HA )) 6.000 5.900 0.000 peak 896 spectrum 1 weight 0.11000E+01 volume 0.39287E-04 ppm1 1.786 ppm2 4.854 CV 1 ASSI { 897} (( segid "alk1" and resid 46 and name HB2 )) ( segid "alk1" and resid 38 and name HD1%) 4.000 2.000 2.000 peak 897 spectrum 1 weight 0.11000E+01 volume 0.21353E-03 ppm1 1.777 ppm2 0.774 CV 1 ASSI { 899} (( segid "alk1" and resid 44 and name HG1 )) (( segid "alk1" and resid 44 and name HA )) 6.000 5.400 0.000 peak 899 spectrum 1 weight 0.11000E+01 volume 0.24257E-04 ppm1 1.520 ppm2 4.589 CV 1 ASSI { 901} (( segid "alk1" and resid 42 and name HB2 )) (( segid "alk1" and resid 41 and name HA )) 5.300 3.500 0.700 peak 901 spectrum 1 weight 0.11000E+01 volume 0.94081E-04 ppm1 1.971 ppm2 4.391 CV 1 OR { 901} (( segid "alk1" and resid 42 and name HB1 )) (( segid "alk1" and resid 41 and name HA )) ASSI { 905} (( segid "alk1" and resid 41 and name HB1 )) (( segid "alk1" and resid 44 and name HD1 )) 5.300 3.500 0.700 peak 905 spectrum 1 weight 0.11000E+01 volume 0.55277E-04 ppm1 1.915 ppm2 3.124 CV 1 OR { 905} (( segid "alk1" and resid 41 and name HB1 )) (( segid "alk1" and resid 44 and name HD2 )) ASSI { 906} (( segid "alk1" and resid 41 and name HB1 )) (( segid "alk1" and resid 42 and name HN )) 4.900 3.000 1.100 peak 906 spectrum 1 weight 0.11000E+01 volume 0.83367E-04 ppm1 1.910 ppm2 8.640 CV 1 ASSI { 907} (( segid "alk1" and resid 54 and name HB1 )) (( segid "alk1" and resid 10 and name HA )) 6.000 5.800 0.000 peak 907 spectrum 1 weight 0.11000E+01 volume 0.11649E-04 ppm1 2.475 ppm2 4.378 CV 1 ASSI { 908} (( segid "alk1" and resid 54 and name HB1 )) (( segid "alk1" and resid 55 and name HA )) 6.000 6.000 0.000 peak 908 spectrum 1 weight 0.11000E+01 volume 0.10981E-04 ppm1 2.483 ppm2 4.665 CV 1 ASSI { 909} (( segid "alk1" and resid 54 and name HB1 )) (( segid "alk1" and resid 32 and name HN )) 6.000 6.000 0.000 peak 909 spectrum 1 weight 0.11000E+01 volume 0.17818E-04 ppm1 2.473 ppm2 7.728 CV 1 ASSI { 910} (( segid "alk1" and resid 56 and name HB1 )) (( segid "alk1" and resid 59 and name HB2 )) 6.000 6.000 0.000 peak 910 spectrum 1 weight 0.11000E+01 volume 0.15187E-04 ppm1 3.485 ppm2 1.408 CV 1 ASSI { 913} (( segid "alk1" and resid 56 and name HB2 )) (( segid "alk1" and resid 53 and name HA2 )) 6.000 5.500 0.000 peak 913 spectrum 1 weight 0.10000E+01 volume 0.11229E-04 ppm1 3.142 ppm2 2.262 CV 1 ASSI { 914} (( segid "alk1" and resid 55 and name HG )) (( segid "alk1" and resid 55 and name HA )) 6.000 5.300 0.000 peak 914 spectrum 1 weight 0.11000E+01 volume 0.23877E-04 ppm1 1.348 ppm2 4.649 CV 1 ASSI { 918} (( segid "alk1" and resid 55 and name HG )) (( segid "alk1" and resid 31 and name HA2 )) 5.800 5.800 0.200 peak 918 spectrum 1 weight 0.11000E+01 volume 0.81697E-05 ppm1 1.348 ppm2 3.358 CV 1 ASSI { 919} (( segid "alk1" and resid 55 and name HG )) ( segid "alk1" and resid 55 and name HD1%) 4.100 4.100 1.900 peak 919 spectrum 1 weight 0.11000E+01 volume 0.20472E-03 ppm1 1.342 ppm2 0.823 CV 1 OR { 919} (( segid "alk1" and resid 55 and name HG )) ( segid "alk1" and resid 55 and name HD2%) ASSI { 921} (( segid "alk1" and resid 57 and name HD1 )) (( segid "alk1" and resid 57 and name HG2 )) 5.500 3.800 0.500 peak 921 spectrum 1 weight 0.11000E+01 volume 0.31405E-04 ppm1 1.969 ppm2 0.759 CV 1 ASSI { 922} (( segid "alk1" and resid 57 and name HD1 )) (( segid "alk1" and resid 57 and name HG1 )) 5.500 3.800 0.500 peak 922 spectrum 1 weight 0.11000E+01 volume 0.50054E-04 ppm1 1.962 ppm2 1.184 CV 1 ASSI { 925} (( segid "alk1" and resid 57 and name HD1 )) (( segid "alk1" and resid 60 and name HB2 )) 6.000 6.000 0.000 peak 925 spectrum 1 weight 0.11000E+01 volume 0.15914E-04 ppm1 1.975 ppm2 2.833 CV 1 ASSI { 929} (( segid "alk1" and resid 57 and name HG1 )) (( segid "alk1" and resid 57 and name HD2 )) 5.000 3.100 1.000 peak 929 spectrum 1 weight 0.11000E+01 volume 0.55877E-04 ppm1 1.183 ppm2 1.663 CV 1 ASSI { 935} (( segid "alk1" and resid 27 and name HG1 )) (( segid "alk1" and resid 27 and name HA )) 6.000 5.500 0.000 peak 935 spectrum 1 weight 0.11000E+01 volume 0.46816E-04 ppm1 1.990 ppm2 4.826 CV 1 ASSI { 936} (( segid "alk1" and resid 58 and name HG2 )) ( segid "alk1" and resid 59 and name HD2%) 6.000 5.700 0.000 peak 936 spectrum 1 weight 0.11000E+01 volume 0.26893E-04 ppm1 2.459 ppm2 0.715 CV 1 ASSI { 937} (( segid "alk1" and resid 58 and name HG2 )) (( segid "alk1" and resid 59 and name HB1 )) 6.000 6.000 0.000 peak 937 spectrum 1 weight 0.11000E+01 volume 0.19164E-04 ppm1 2.456 ppm2 0.886 CV 1 ASSI { 938} (( segid "alk1" and resid 58 and name HG1 )) (( segid "alk1" and resid 59 and name HG )) 5.900 4.300 0.100 peak 938 spectrum 1 weight 0.11000E+01 volume 0.23875E-04 ppm1 2.075 ppm2 1.522 CV 1 ASSI { 942} (( segid "alk1" and resid 61 and name HG1 )) (( segid "alk1" and resid 57 and name HG2 )) 4.400 2.500 1.600 peak 942 spectrum 1 weight 0.11000E+01 volume 0.42699E-04 ppm1 1.593 ppm2 0.764 CV 1 OR { 942} (( segid "alk1" and resid 61 and name HG2 )) (( segid "alk1" and resid 57 and name HG2 )) ASSI { 5} (( segid "alk1" and resid 59 and name HN )) (( segid "alk1" and resid 59 and name HA )) 2.800 1.000 1.000 peak 5 spectrum 1 weight 0.11000E+01 volume 0.24674E-02 ppm1 7.344 ppm2 4.061 CV 1 OR { 5} (( segid "alk1" and resid 59 and name HN )) (( segid "alk1" and resid 58 and name HA )) ASSI { 48} (( segid "alk1" and resid 38 and name HN )) ( segid "alk1" and resid 37 and name HG2%) 3.300 1.400 1.400 peak 48 spectrum 1 weight 0.11000E+01 volume 0.34184E-02 ppm1 8.454 ppm2 0.768 CV 1 OR { 48} (( segid "alk1" and resid 38 and name HN )) ( segid "alk1" and resid 38 and name HD1%) OR { 48} (( segid "alk1" and resid 38 and name HN )) ( segid "alk1" and resid 38 and name HD2%) ASSI { 49} (( segid "alk1" and resid 38 and name HN )) ( segid "alk1" and resid 84 and name HD1%) 3.200 1.300 1.300 peak 49 spectrum 1 weight 0.11000E+01 volume 0.16808E-02 ppm1 8.454 ppm2 0.685 CV 1 OR { 49} (( segid "alk1" and resid 38 and name HN )) ( segid "alk1" and resid 37 and name HG1%) ASSI { 51} (( segid "alk1" and resid 20 and name HN )) (( segid "alk1" and resid 20 and name HA )) 2.800 1.000 1.000 peak 51 spectrum 1 weight 0.11000E+01 volume 0.20775E-02 ppm1 9.106 ppm2 4.508 CV 1 OR { 51} (( segid "alk1" and resid 20 and name HN )) (( segid "alk1" and resid 51 and name HA1 )) OR { 51} (( segid "alk1" and resid 20 and name HN )) (( segid "alk1" and resid 21 and name HA )) ASSI { 57} (( segid "alk1" and resid 20 and name HN )) (( segid "alk1" and resid 22 and name HB2 )) 3.800 3.800 2.200 peak 57 spectrum 1 weight 0.11000E+01 volume 0.14174E-02 ppm1 9.105 ppm2 1.498 CV 1 OR { 57} (( segid "alk1" and resid 20 and name HN )) (( segid "alk1" and resid 50 and name HG2 )) OR { 57} (( segid "alk1" and resid 20 and name HN )) (( segid "alk1" and resid 50 and name HG1 )) ASSI { 64} (( segid "alk1" and resid 40 and name HN )) (( segid "alk1" and resid 40 and name HB2 )) 3.000 1.100 1.100 peak 64 spectrum 1 weight 0.11000E+01 volume 0.15494E-02 ppm1 8.667 ppm2 1.736 CV 1 OR { 64} (( segid "alk1" and resid 40 and name HN )) (( segid "alk1" and resid 39 and name HB )) ASSI { 66} (( segid "alk1" and resid 84 and name HN )) ( segid "alk1" and resid 85 and name HG1%) 3.800 1.800 1.800 peak 66 spectrum 1 weight 0.11000E+01 volume 0.46119E-03 ppm1 9.624 ppm2 0.778 CV 1 OR { 66} (( segid "alk1" and resid 84 and name HN )) ( segid "alk1" and resid 82 and name HG1%) OR { 66} (( segid "alk1" and resid 84 and name HN )) ( segid "alk1" and resid 85 and name HG2%) ASSI { 91} (( segid "alk1" and resid 71 and name HN )) (( segid "alk1" and resid 37 and name HA )) 4.100 2.100 1.900 peak 91 spectrum 1 weight 0.11000E+01 volume 0.35746E-03 ppm1 9.069 ppm2 4.797 CV 1 OR { 91} (( segid "alk1" and resid 71 and name HN )) (( segid "alk1" and resid 36 and name HA )) ASSI { 100} (( segid "alk1" and resid 71 and name HN )) ( segid "alk1" and resid 37 and name HG1%) 4.000 2.000 2.000 peak 100 spectrum 1 weight 0.11000E+01 volume 0.12985E-02 ppm1 9.069 ppm2 0.686 CV 1 OR { 100} (( segid "alk1" and resid 71 and name HN )) ( segid "alk1" and resid 84 and name HD1%) ASSI { 107} (( segid "alk1" and resid 37 and name HN )) ( segid "alk1" and resid 84 and name HD1%) 2.900 1.000 1.000 peak 107 spectrum 1 weight 0.11000E+01 volume 0.18163E-02 ppm1 9.045 ppm2 0.676 CV 1 OR { 107} (( segid "alk1" and resid 37 and name HN )) ( segid "alk1" and resid 37 and name HG1%) ASSI { 117} (( segid "alk1" and resid 41 and name HN )) (( segid "alk1" and resid 45 and name HB1 )) 4.500 2.500 1.500 peak 117 spectrum 1 weight 0.11000E+01 volume 0.27563E-03 ppm1 8.460 ppm2 3.103 CV 1 OR { 117} (( segid "alk1" and resid 41 and name HN )) (( segid "alk1" and resid 44 and name HD1 )) OR { 117} (( segid "alk1" and resid 41 and name HN )) (( segid "alk1" and resid 44 and name HD2 )) ASSI { 121} (( segid "alk1" and resid 41 and name HN )) (( segid "alk1" and resid 41 and name HB2 )) 2.400 0.700 0.700 peak 121 spectrum 1 weight 0.11000E+01 volume 0.72981E-02 ppm1 8.458 ppm2 1.756 CV 1 OR { 121} (( segid "alk1" and resid 41 and name HN )) (( segid "alk1" and resid 40 and name HB2 )) ASSI { 127} (( segid "alk1" and resid 86 and name HN )) (( segid "alk1" and resid 85 and name HB )) 3.600 1.600 1.600 peak 127 spectrum 1 weight 0.11000E+01 volume 0.11283E-02 ppm1 8.058 ppm2 1.938 CV 1 OR { 127} (( segid "alk1" and resid 86 and name HN )) (( segid "alk1" and resid 87 and name HB2 )) ASSI { 167} (( segid "alk1" and resid 32 and name HN )) (( segid "alk1" and resid 31 and name HA1 )) 2.000 0.500 0.500 peak 167 spectrum 1 weight 0.11000E+01 volume 0.76371E-02 ppm1 7.732 ppm2 4.410 CV 1 OR { 167} (( segid "alk1" and resid 32 and name HN )) (( segid "alk1" and resid 32 and name HA )) ASSI { 168} (( segid "alk1" and resid 32 and name HN )) (( segid "alk1" and resid 54 and name HA )) 2.900 1.000 1.000 peak 168 spectrum 1 weight 0.11000E+01 volume 0.16419E-02 ppm1 7.735 ppm2 4.035 CV 1 OR { 168} (( segid "alk1" and resid 32 and name HN )) (( segid "alk1" and resid 53 and name HA1 )) ASSI { 182} (( segid "alk1" and resid 21 and name HN )) (( segid "alk1" and resid 21 and name HB2 )) 3.400 1.400 1.400 peak 182 spectrum 1 weight 0.11000E+01 volume 0.69760E-03 ppm1 7.773 ppm2 3.809 CV 1 OR { 182} (( segid "alk1" and resid 21 and name HN )) (( segid "alk1" and resid 19 and name HB1 )) ASSI { 184} (( segid "alk1" and resid 21 and name HN )) (( segid "alk1" and resid 20 and name HA )) 1.900 0.400 0.400 peak 184 spectrum 1 weight 0.11000E+01 volume 0.16777E-01 ppm1 7.771 ppm2 4.518 CV 1 OR { 184} (( segid "alk1" and resid 21 and name HN )) (( segid "alk1" and resid 21 and name HA )) ASSI { 186} (( segid "alk1" and resid 21 and name HN )) (( segid "alk1" and resid 27 and name HD1 )) 4.400 2.400 1.600 peak 186 spectrum 1 weight 0.11000E+01 volume 0.46893E-03 ppm1 7.771 ppm2 3.529 CV 1 OR { 186} (( segid "alk1" and resid 21 and name HN )) (( segid "alk1" and resid 24 and name HB1 )) ASSI { 215} (( segid "alk1" and resid 49 and name HN )) (( segid "alk1" and resid 37 and name HB )) 3.200 1.300 1.300 peak 215 spectrum 1 weight 0.11000E+01 volume 0.18977E-02 ppm1 9.193 ppm2 1.836 CV 1 OR { 215} (( segid "alk1" and resid 49 and name HN )) (( segid "alk1" and resid 48 and name HB1 )) ASSI { 246} (( segid "alk1" and resid 11 and name HN )) ( segid "alk1" and resid 7 and name HG2%) 5.500 3.700 0.500 peak 246 spectrum 1 weight 0.10000E+01 volume 0.12786E-04 ppm1 8.333 ppm2 0.872 CV 1 OR { 246} (( segid "alk1" and resid 94 and name HN )) ( segid "alk1" and resid 36 and name HG2%) ASSI { 250} (( segid "alk1" and resid 50 and name HN )) (( segid "alk1" and resid 50 and name HB1 )) 3.000 1.200 1.200 peak 250 spectrum 1 weight 0.11000E+01 volume 0.23904E-02 ppm1 8.847 ppm2 1.821 CV 1 OR { 250} (( segid "alk1" and resid 50 and name HN )) (( segid "alk1" and resid 20 and name HB2 )) ASSI { 254} (( segid "alk1" and resid 48 and name HN )) (( segid "alk1" and resid 47 and name HB1 )) 2.600 0.800 0.800 peak 254 spectrum 1 weight 0.11000E+01 volume 0.50638E-02 ppm1 8.748 ppm2 2.015 CV 1 OR { 254} (( segid "alk1" and resid 48 and name HN )) (( segid "alk1" and resid 48 and name HG1 )) OR { 254} (( segid "alk1" and resid 48 and name HN )) (( segid "alk1" and resid 48 and name HG2 )) ASSI { 255} (( segid "alk1" and resid 48 and name HN )) (( segid "alk1" and resid 48 and name HB1 )) 2.400 0.700 0.700 peak 255 spectrum 1 weight 0.11000E+01 volume 0.62341E-02 ppm1 8.749 ppm2 1.824 CV 1 OR { 255} (( segid "alk1" and resid 48 and name HN )) (( segid "alk1" and resid 48 and name HB2 )) OR { 255} (( segid "alk1" and resid 48 and name HN )) (( segid "alk1" and resid 47 and name HB2 )) ASSI { 292} (( segid "alk1" and resid 95 and name HN )) (( segid "alk1" and resid 95 and name HG1 )) 3.600 1.600 1.600 peak 292 spectrum 1 weight 0.11000E+01 volume 0.80068E-03 ppm1 8.324 ppm2 2.349 CV 1 OR { 292} (( segid "alk1" and resid 95 and name HN )) (( segid "alk1" and resid 95 and name HG2 )) OR { 292} (( segid "alk1" and resid 95 and name HN )) (( segid "alk1" and resid 94 and name HG1 )) OR { 292} (( segid "alk1" and resid 95 and name HN )) (( segid "alk1" and resid 94 and name HG2 )) ASSI { 293} (( segid "alk1" and resid 95 and name HN )) (( segid "alk1" and resid 95 and name HB2 )) 3.000 1.100 1.100 peak 293 spectrum 1 weight 0.11000E+01 volume 0.20878E-02 ppm1 8.325 ppm2 2.054 CV 1 OR { 293} (( segid "alk1" and resid 95 and name HN )) (( segid "alk1" and resid 94 and name HB2 )) ASSI { 341} (( segid "alk1" and resid 16 and name HN )) (( segid "alk1" and resid 76 and name HA )) 3.000 1.100 1.100 peak 341 spectrum 1 weight 0.11000E+01 volume 0.21359E-02 ppm1 8.891 ppm2 4.554 CV 1 OR { 341} (( segid "alk1" and resid 16 and name HN )) (( segid "alk1" and resid 14 and name HA )) ASSI { 349} (( segid "alk1" and resid 15 and name HN )) (( segid "alk1" and resid 14 and name HB1 )) 2.700 0.900 0.900 peak 349 spectrum 1 weight 0.11000E+01 volume 0.32313E-02 ppm1 9.110 ppm2 1.578 CV 1 OR { 349} (( segid "alk1" and resid 15 and name HN )) (( segid "alk1" and resid 30 and name HB2 )) OR { 349} (( segid "alk1" and resid 15 and name HN )) (( segid "alk1" and resid 30 and name HG2 )) ASSI { 405} (( segid "alk1" and resid 45 and name HN )) (( segid "alk1" and resid 44 and name HB1 )) 3.000 1.100 1.100 peak 405 spectrum 1 weight 0.11000E+01 volume 0.15627E-02 ppm1 8.515 ppm2 1.896 CV 1 OR { 405} (( segid "alk1" and resid 45 and name HN )) (( segid "alk1" and resid 41 and name HB1 )) ASSI { 437} (( segid "alk1" and resid 52 and name HN )) (( segid "alk1" and resid 52 and name HB1 )) 2.800 1.000 1.000 peak 437 spectrum 1 weight 0.11000E+01 volume 0.23876E-02 ppm1 8.322 ppm2 2.897 CV 1 OR { 437} (( segid "alk1" and resid 52 and name HN )) (( segid "alk1" and resid 23 and name HB2 )) OR { 437} (( segid "alk1" and resid 52 and name HN )) (( segid "alk1" and resid 17 and name HB2 )) ASSI { 444} (( segid "alk1" and resid 79 and name HN )) (( segid "alk1" and resid 78 and name HB2 )) 4.600 2.600 1.400 peak 444 spectrum 1 weight 0.11000E+01 volume 0.46930E-03 ppm1 8.435 ppm2 3.394 CV 1 OR { 444} (( segid "alk1" and resid 79 and name HN )) (( segid "alk1" and resid 80 and name HB2 )) ASSI { 445} (( segid "alk1" and resid 79 and name HN )) (( segid "alk1" and resid 79 and name HA )) 2.600 0.900 0.900 peak 445 spectrum 1 weight 0.11000E+01 volume 0.30360E-02 ppm1 8.433 ppm2 4.432 CV 1 OR { 445} (( segid "alk1" and resid 79 and name HN )) (( segid "alk1" and resid 78 and name HA )) ASSI { 453} (( segid "alk1" and resid 44 and name HN )) (( segid "alk1" and resid 44 and name HB1 )) 2.900 1.100 1.100 peak 453 spectrum 1 weight 0.11000E+01 volume 0.20903E-02 ppm1 7.906 ppm2 1.894 CV 1 OR { 453} (( segid "alk1" and resid 44 and name HN )) (( segid "alk1" and resid 41 and name HB1 )) ASSI { 481} (( segid "alk1" and resid 34 and name HN )) (( segid "alk1" and resid 74 and name HA )) 4.300 2.300 1.700 peak 481 spectrum 1 weight 0.11000E+01 volume 0.47141E-03 ppm1 9.305 ppm2 5.172 CV 1 OR { 481} (( segid "alk1" and resid 34 and name HN )) (( segid "alk1" and resid 52 and name HA )) ASSI { 483} (( segid "alk1" and resid 34 and name HN )) (( segid "alk1" and resid 33 and name HB1 )) 3.800 1.800 1.800 peak 483 spectrum 1 weight 0.11000E+01 volume 0.18612E-02 ppm1 9.305 ppm2 3.532 CV 1 OR { 483} (( segid "alk1" and resid 34 and name HN )) (( segid "alk1" and resid 73 and name HB2 )) ASSI { 495} (( segid "alk1" and resid 73 and name HN )) (( segid "alk1" and resid 35 and name HA )) 3.800 1.800 1.800 peak 495 spectrum 1 weight 0.11000E+01 volume 0.94440E-03 ppm1 8.844 ppm2 5.914 CV 1 OR { 495} (( segid "alk1" and resid 73 and name HN )) (( segid "alk1" and resid 34 and name HA )) ASSI { 498} (( segid "alk1" and resid 73 and name HN )) (( segid "alk1" and resid 73 and name HB2 )) 3.700 1.700 1.700 peak 498 spectrum 1 weight 0.11000E+01 volume 0.43661E-03 ppm1 8.846 ppm2 3.548 CV 1 OR { 498} (( segid "alk1" and resid 73 and name HN )) (( segid "alk1" and resid 33 and name HB1 )) ASSI { 499} (( segid "alk1" and resid 73 and name HN )) (( segid "alk1" and resid 73 and name HB1 )) 3.300 1.300 1.300 peak 499 spectrum 1 weight 0.11000E+01 volume 0.11535E-02 ppm1 8.845 ppm2 3.178 CV 1 OR { 499} (( segid "alk1" and resid 73 and name HN )) (( segid "alk1" and resid 34 and name HB2 )) OR { 499} (( segid "alk1" and resid 73 and name HN )) (( segid "alk1" and resid 34 and name HB1 )) ASSI { 511} (( segid "alk1" and resid 54 and name HN )) (( segid "alk1" and resid 54 and name HA )) 3.000 1.100 1.100 peak 511 spectrum 1 weight 0.11000E+01 volume 0.13066E-02 ppm1 8.108 ppm2 4.050 CV 1 OR { 511} (( segid "alk1" and resid 54 and name HN )) (( segid "alk1" and resid 53 and name HA1 )) ASSI { 524} (( segid "alk1" and resid 60 and name HN )) (( segid "alk1" and resid 59 and name HA )) 3.100 1.200 1.200 peak 524 spectrum 1 weight 0.11000E+01 volume 0.13525E-02 ppm1 7.635 ppm2 4.059 CV 1 OR { 524} (( segid "alk1" and resid 60 and name HN )) (( segid "alk1" and resid 58 and name HA )) ASSI { 525} (( segid "alk1" and resid 60 and name HN )) (( segid "alk1" and resid 57 and name HA )) 4.100 2.100 1.900 peak 525 spectrum 1 weight 0.11000E+01 volume 0.29876E-03 ppm1 7.635 ppm2 3.332 CV 1 OR { 525} (( segid "alk1" and resid 60 and name HN )) (( segid "alk1" and resid 70 and name HB1 )) ASSI { 539} (( segid "alk1" and resid 75 and name HN )) (( segid "alk1" and resid 78 and name HA )) 4.200 2.200 1.800 peak 539 spectrum 1 weight 0.10000E+01 volume 0.79606E-03 ppm1 7.643 ppm2 4.436 CV 1 OR { 539} (( segid "alk1" and resid 75 and name HN )) (( segid "alk1" and resid 15 and name HA )) ASSI { 541} (( segid "alk1" and resid 75 and name HN )) (( segid "alk1" and resid 75 and name HB1 )) 2.800 1.000 1.000 peak 541 spectrum 1 weight 0.11000E+01 volume 0.35854E-02 ppm1 7.643 ppm2 3.851 CV 1 OR { 541} (( segid "alk1" and resid 75 and name HN )) (( segid "alk1" and resid 78 and name HB1 )) ASSI { 542} (( segid "alk1" and resid 75 and name HN )) (( segid "alk1" and resid 73 and name HB2 )) 4.100 2.100 1.900 peak 542 spectrum 1 weight 0.11000E+01 volume 0.95382E-03 ppm1 7.643 ppm2 3.568 CV 1 OR { 542} (( segid "alk1" and resid 75 and name HN )) (( segid "alk1" and resid 33 and name HB1 )) ASSI { 544} (( segid "alk1" and resid 75 and name HN )) (( segid "alk1" and resid 73 and name HB1 )) 3.700 1.700 1.700 peak 544 spectrum 1 weight 0.11000E+01 volume 0.39545E-03 ppm1 7.642 ppm2 3.176 CV 1 OR { 544} (( segid "alk1" and resid 75 and name HN )) (( segid "alk1" and resid 34 and name HB2 )) ASSI { 559} (( segid "alk1" and resid 33 and name HN )) (( segid "alk1" and resid 32 and name HA )) 3.300 1.400 1.400 peak 559 spectrum 1 weight 0.11000E+01 volume 0.20629E-02 ppm1 7.833 ppm2 4.422 CV 1 OR { 559} (( segid "alk1" and resid 33 and name HN )) (( segid "alk1" and resid 31 and name HA1 )) ASSI { 560} (( segid "alk1" and resid 33 and name HN )) (( segid "alk1" and resid 54 and name HA )) 4.500 2.600 1.500 peak 560 spectrum 1 weight 0.11000E+01 volume 0.46836E-03 ppm1 7.833 ppm2 4.041 CV 1 OR { 560} (( segid "alk1" and resid 33 and name HN )) (( segid "alk1" and resid 53 and name HA1 )) ASSI { 562} (( segid "alk1" and resid 33 and name HN )) (( segid "alk1" and resid 33 and name HB2 )) 3.800 1.800 1.800 peak 562 spectrum 1 weight 0.11000E+01 volume 0.13512E-02 ppm1 7.833 ppm2 3.328 CV 1 OR { 562} (( segid "alk1" and resid 33 and name HN )) (( segid "alk1" and resid 31 and name HA2 )) ASSI { 573} (( segid "alk1" and resid 43 and name HN )) (( segid "alk1" and resid 42 and name HA )) 2.100 0.500 0.500 peak 573 spectrum 1 weight 0.11000E+01 volume 0.12373E-01 ppm1 8.672 ppm2 4.034 CV 1 OR { 573} (( segid "alk1" and resid 43 and name HN )) (( segid "alk1" and resid 43 and name HA2 )) ASSI { 583} (( segid "alk1" and resid 31 and name HN )) (( segid "alk1" and resid 30 and name HB1 )) 2.700 0.900 0.900 peak 583 spectrum 1 weight 0.11000E+01 volume 0.38053E-02 ppm1 8.865 ppm2 1.603 CV 1 OR { 583} (( segid "alk1" and resid 31 and name HN )) (( segid "alk1" and resid 30 and name HB2 )) OR { 583} (( segid "alk1" and resid 31 and name HN )) (( segid "alk1" and resid 14 and name HB1 )) ASSI { 587} (( segid "alk1" and resid 65 and name HN )) (( segid "alk1" and resid 64 and name HA )) 2.500 0.800 0.800 peak 587 spectrum 1 weight 0.11000E+01 volume 0.51680E-02 ppm1 7.941 ppm2 4.487 CV 1 OR { 587} (( segid "alk1" and resid 65 and name HN )) (( segid "alk1" and resid 65 and name HB )) ASSI { 588} (( segid "alk1" and resid 65 and name HN )) (( segid "alk1" and resid 64 and name HB2 )) 5.000 3.100 1.000 peak 588 spectrum 1 weight 0.11000E+01 volume 0.78312E-04 ppm1 7.941 ppm2 1.983 CV 1 OR { 588} (( segid "alk1" and resid 65 and name HN )) (( segid "alk1" and resid 66 and name HG1 )) ASSI { 623} (( segid "alk1" and resid 26 and name HN )) (( segid "alk1" and resid 25 and name HB1 )) 3.900 1.900 1.900 peak 623 spectrum 1 weight 0.11000E+01 volume 0.95446E-03 ppm1 7.768 ppm2 1.993 CV 1 OR { 623} (( segid "alk1" and resid 26 and name HN )) (( segid "alk1" and resid 27 and name HG1 )) OR { 623} (( segid "alk1" and resid 26 and name HN )) (( segid "alk1" and resid 27 and name HG2 )) ASSI { 627} (( segid "alk1" and resid 28 and name HN )) (( segid "alk1" and resid 27 and name HD2 )) 3.000 1.200 1.200 peak 627 spectrum 1 weight 0.11000E+01 volume 0.18152E-02 ppm1 7.599 ppm2 3.794 CV 1 OR { 627} (( segid "alk1" and resid 28 and name HN )) (( segid "alk1" and resid 19 and name HB1 )) ASSI { 642} (( segid "alk1" and resid 20 and name HN )) (( segid "alk1" and resid 19 and name HN )) 4.600 2.600 1.400 peak 642 spectrum 1 weight 0.11000E+01 volume 0.23655E-03 ppm1 9.105 ppm2 8.222 CV 1 OR { 642} (( segid "alk1" and resid 20 and name HN )) (( segid "alk1" and resid 51 and name HN )) ASSI { 668} (( segid "alk1" and resid 17 and name HN )) (( segid "alk1" and resid 29 and name HN )) 2.800 1.000 1.000 peak 668 spectrum 1 weight 0.11000E+01 volume 0.24762E-02 ppm1 9.166 ppm2 8.877 CV 1 OR { 668} (( segid "alk1" and resid 17 and name HN )) (( segid "alk1" and resid 16 and name HN )) ASSI { 669} (( segid "alk1" and resid 77 and name HN )) (( segid "alk1" and resid 18 and name HN )) 4.400 2.500 1.600 peak 669 spectrum 1 weight 0.11000E+01 volume 0.41261E-03 ppm1 9.772 ppm2 8.910 CV 1 OR { 669} (( segid "alk1" and resid 77 and name HN )) (( segid "alk1" and resid 16 and name HN )) ASSI { 688} (( segid "alk1" and resid 17 and name HN )) (( segid "alk1" and resid 76 and name HB1 )) 4.400 2.400 1.600 peak 688 spectrum 1 weight 0.10000E+01 volume 0.46058E-03 ppm1 9.166 ppm2 3.062 CV 1 OR { 688} (( segid "alk1" and resid 17 and name HN )) (( segid "alk1" and resid 76 and name HB2 )) OR { 688} (( segid "alk1" and resid 17 and name HN )) (( segid "alk1" and resid 30 and name HD1 )) OR { 688} (( segid "alk1" and resid 17 and name HN )) (( segid "alk1" and resid 30 and name HD2 )) ASSI { 697} (( segid "alk1" and resid 18 and name HN )) (( segid "alk1" and resid 80 and name HB1 )) 3.600 1.600 1.600 peak 697 spectrum 1 weight 0.11000E+01 volume 0.17267E-02 ppm1 8.932 ppm2 3.204 CV 1 OR { 697} (( segid "alk1" and resid 18 and name HN )) (( segid "alk1" and resid 34 and name HB1 )) OR { 697} (( segid "alk1" and resid 18 and name HN )) (( segid "alk1" and resid 50 and name HD1 )) ASSI { 708} (( segid "alk1" and resid 19 and name HN )) (( segid "alk1" and resid 26 and name HN )) 5.500 3.800 0.500 peak 708 spectrum 1 weight 0.10000E+01 volume 0.98939E-04 ppm1 8.233 ppm2 7.760 CV 1 OR { 708} (( segid "alk1" and resid 19 and name HN )) (( segid "alk1" and resid 21 and name HN )) OR { 708} (( segid "alk1" and resid 19 and name HN )) (( segid "alk1" and resid 80 and name HN )) ASSI { 722} (( segid "alk1" and resid 30 and name HN )) (( segid "alk1" and resid 29 and name HN )) 3.700 1.700 1.700 peak 722 spectrum 1 weight 0.11000E+01 volume 0.10214E-02 ppm1 8.484 ppm2 8.867 CV 1 OR { 722} (( segid "alk1" and resid 30 and name HN )) (( segid "alk1" and resid 31 and name HN )) ASSI { 726} (( segid "alk1" and resid 30 and name HN )) ( segid "alk1" and resid 14 and name HD1%) 6.000 4.500 0.000 peak 726 spectrum 1 weight 0.10000E+01 volume 0.76156E-04 ppm1 8.479 ppm2 0.768 CV 1 OR { 726} (( segid "alk1" and resid 30 and name HN )) ( segid "alk1" and resid 15 and name HG1%) ASSI { 740} (( segid "alk1" and resid 33 and name HN )) ( segid "alk1" and resid 14 and name HD2%) 3.300 3.300 2.700 peak 740 spectrum 1 weight 0.10000E+01 volume 0.36142E-03 ppm1 7.834 ppm2 0.652 CV 1 OR { 740} (( segid "alk1" and resid 33 and name HN )) ( segid "alk1" and resid 37 and name HG1%) OR { 740} (( segid "alk1" and resid 33 and name HN )) ( segid "alk1" and resid 77 and name HD1%) ASSI { 752} (( segid "alk1" and resid 35 and name HN )) ( segid "alk1" and resid 37 and name HG1%) 5.300 3.500 0.700 peak 752 spectrum 1 weight 0.10000E+01 volume 0.12212E-03 ppm1 8.934 ppm2 0.666 CV 1 OR { 752} (( segid "alk1" and resid 35 and name HN )) ( segid "alk1" and resid 84 and name HD1%) ASSI { 753} (( segid "alk1" and resid 35 and name HN )) ( segid "alk1" and resid 15 and name HG1%) 4.900 3.000 1.100 peak 753 spectrum 1 weight 0.10000E+01 volume 0.22215E-03 ppm1 8.937 ppm2 0.790 CV 1 OR { 753} (( segid "alk1" and resid 35 and name HN )) ( segid "alk1" and resid 82 and name HG1%) OR { 753} (( segid "alk1" and resid 35 and name HN )) ( segid "alk1" and resid 59 and name HD1%) OR { 753} (( segid "alk1" and resid 35 and name HN )) ( segid "alk1" and resid 15 and name HG2%) ASSI { 754} (( segid "alk1" and resid 35 and name HN )) ( segid "alk1" and resid 32 and name HB% ) 6.000 4.900 0.000 peak 754 spectrum 1 weight 0.10000E+01 volume 0.52317E-04 ppm1 8.938 ppm2 1.514 CV 1 OR { 754} (( segid "alk1" and resid 35 and name HN )) (( segid "alk1" and resid 50 and name HG2 )) OR { 754} (( segid "alk1" and resid 35 and name HN )) (( segid "alk1" and resid 50 and name HG1 )) OR { 754} (( segid "alk1" and resid 35 and name HN )) (( segid "alk1" and resid 82 and name HB )) OR { 754} (( segid "alk1" and resid 35 and name HN )) (( segid "alk1" and resid 59 and name HG )) ASSI { 757} (( segid "alk1" and resid 35 and name HN )) (( segid "alk1" and resid 79 and name HB2 )) 4.000 2.000 2.000 peak 757 spectrum 1 weight 0.11000E+01 volume 0.66377E-03 ppm1 8.936 ppm2 2.432 CV 1 OR { 757} (( segid "alk1" and resid 35 and name HN )) (( segid "alk1" and resid 52 and name HB2 )) ASSI { 758} (( segid "alk1" and resid 35 and name HN )) (( segid "alk1" and resid 17 and name HB2 )) 3.900 1.900 1.900 peak 758 spectrum 1 weight 0.11000E+01 volume 0.75975E-03 ppm1 8.936 ppm2 2.863 CV 1 OR { 758} (( segid "alk1" and resid 35 and name HN )) (( segid "alk1" and resid 52 and name HB1 )) ASSI { 780} (( segid "alk1" and resid 36 and name HN )) (( segid "alk1" and resid 71 and name HN )) 2.800 1.000 1.000 peak 780 spectrum 1 weight 0.11000E+01 volume 0.18050E-02 ppm1 8.841 ppm2 9.060 CV 1 OR { 780} (( segid "alk1" and resid 36 and name HN )) (( segid "alk1" and resid 37 and name HN )) ASSI { 793} (( segid "alk1" and resid 37 and name HN )) (( segid "alk1" and resid 48 and name HA )) 3.600 1.600 1.600 peak 793 spectrum 1 weight 0.11000E+01 volume 0.92013E-03 ppm1 9.042 ppm2 5.087 CV 1 OR { 793} (( segid "alk1" and resid 37 and name HN )) (( segid "alk1" and resid 70 and name HA )) ASSI { 802} (( segid "alk1" and resid 38 and name HN )) (( segid "alk1" and resid 70 and name HA )) 4.100 2.100 1.900 peak 802 spectrum 1 weight 0.11000E+01 volume 0.84939E-03 ppm1 8.453 ppm2 5.061 CV 1 OR { 802} (( segid "alk1" and resid 38 and name HN )) (( segid "alk1" and resid 48 and name HA )) ASSI { 804} (( segid "alk1" and resid 38 and name HN )) (( segid "alk1" and resid 37 and name HN )) 3.800 1.800 1.800 peak 804 spectrum 1 weight 0.11000E+01 volume 0.84058E-03 ppm1 8.455 ppm2 9.060 CV 1 OR { 804} (( segid "alk1" and resid 38 and name HN )) (( segid "alk1" and resid 71 and name HN )) ASSI { 818} (( segid "alk1" and resid 40 and name HN )) (( segid "alk1" and resid 40 and name HG2 )) 3.400 1.400 1.400 peak 818 spectrum 1 weight 0.11000E+01 volume 0.85670E-03 ppm1 8.668 ppm2 1.394 CV 1 OR { 818} (( segid "alk1" and resid 40 and name HN )) (( segid "alk1" and resid 38 and name HG )) ASSI { 825} (( segid "alk1" and resid 48 and name HN )) (( segid "alk1" and resid 38 and name HG )) 4.800 2.800 1.200 peak 825 spectrum 1 weight 0.10000E+01 volume 0.28811E-03 ppm1 8.751 ppm2 1.410 CV 1 OR { 825} (( segid "alk1" and resid 48 and name HN )) (( segid "alk1" and resid 84 and name HG )) ASSI { 830} (( segid "alk1" and resid 49 and name HN )) ( segid "alk1" and resid 84 and name HD1%) 3.600 1.600 1.600 peak 830 spectrum 1 weight 0.11000E+01 volume 0.73296E-03 ppm1 9.196 ppm2 0.680 CV 1 OR { 830} (( segid "alk1" and resid 49 and name HN )) ( segid "alk1" and resid 37 and name HG1%) ASSI { 831} (( segid "alk1" and resid 49 and name HN )) ( segid "alk1" and resid 84 and name HD2%) 3.700 1.700 1.700 peak 831 spectrum 1 weight 0.11000E+01 volume 0.73638E-03 ppm1 9.196 ppm2 0.582 CV 1 OR { 831} (( segid "alk1" and resid 49 and name HN )) ( segid "alk1" and resid 39 and name HG2%) ASSI { 833} (( segid "alk1" and resid 49 and name HN )) (( segid "alk1" and resid 38 and name HB2 )) 5.000 3.200 1.000 peak 833 spectrum 1 weight 0.11000E+01 volume 0.13481E-03 ppm1 9.192 ppm2 1.420 CV 1 OR { 833} (( segid "alk1" and resid 49 and name HN )) (( segid "alk1" and resid 84 and name HG )) ASSI { 835} (( segid "alk1" and resid 49 and name HN )) (( segid "alk1" and resid 37 and name HA )) 3.900 1.900 1.900 peak 835 spectrum 1 weight 0.11000E+01 volume 0.56360E-03 ppm1 9.199 ppm2 4.764 CV 1 OR { 835} (( segid "alk1" and resid 49 and name HN )) (( segid "alk1" and resid 36 and name HA )) ASSI { 844} (( segid "alk1" and resid 50 and name HN )) (( segid "alk1" and resid 21 and name HB2 )) 6.000 6.000 0.000 peak 844 spectrum 1 weight 0.10000E+01 volume 0.66203E-05 ppm1 8.846 ppm2 3.811 CV 1 OR { 844} (( segid "alk1" and resid 50 and name HN )) (( segid "alk1" and resid 19 and name HB1 )) ASSI { 851} (( segid "alk1" and resid 51 and name HN )) (( segid "alk1" and resid 34 and name HB1 )) 3.600 1.600 1.600 peak 851 spectrum 1 weight 0.11000E+01 volume 0.91962E-03 ppm1 8.210 ppm2 3.173 CV 1 OR { 851} (( segid "alk1" and resid 51 and name HN )) (( segid "alk1" and resid 50 and name HD2 )) OR { 851} (( segid "alk1" and resid 51 and name HN )) (( segid "alk1" and resid 50 and name HD1 )) OR { 851} (( segid "alk1" and resid 51 and name HN )) (( segid "alk1" and resid 34 and name HB2 )) ASSI { 852} (( segid "alk1" and resid 51 and name HN )) (( segid "alk1" and resid 34 and name HA )) 3.900 1.900 1.900 peak 852 spectrum 1 weight 0.11000E+01 volume 0.50795E-03 ppm1 8.211 ppm2 5.897 CV 1 OR { 852} (( segid "alk1" and resid 51 and name HN )) (( segid "alk1" and resid 35 and name HA )) ASSI { 854} (( segid "alk1" and resid 51 and name HN )) (( segid "alk1" and resid 50 and name HN )) 3.400 1.400 1.400 peak 854 spectrum 1 weight 0.11000E+01 volume 0.13480E-02 ppm1 8.215 ppm2 8.847 CV 1 OR { 854} (( segid "alk1" and resid 51 and name HN )) (( segid "alk1" and resid 36 and name HN )) ASSI { 857} (( segid "alk1" and resid 52 and name HN )) (( segid "alk1" and resid 20 and name HN )) 4.100 2.100 1.900 peak 857 spectrum 1 weight 0.10000E+01 volume 0.16173E-03 ppm1 8.325 ppm2 9.095 CV 1 OR { 857} (( segid "alk1" and resid 52 and name HN )) (( segid "alk1" and resid 15 and name HN )) ASSI { 860} (( segid "alk1" and resid 52 and name HN )) (( segid "alk1" and resid 23 and name HA )) 3.700 3.700 2.300 peak 860 spectrum 1 weight 0.10000E+01 volume 0.30614E-03 ppm1 8.327 ppm2 4.650 CV 1 OR { 860} (( segid "alk1" and resid 52 and name HN )) (( segid "alk1" and resid 33 and name HA )) ASSI { 870} (( segid "alk1" and resid 53 and name HN )) (( segid "alk1" and resid 31 and name HA1 )) 5.000 3.100 1.000 peak 870 spectrum 1 weight 0.11000E+01 volume 0.15031E-03 ppm1 8.689 ppm2 4.429 CV 1 OR { 870} (( segid "alk1" and resid 53 and name HN )) (( segid "alk1" and resid 32 and name HA )) ASSI { 880} (( segid "alk1" and resid 67 and name HN )) (( segid "alk1" and resid 65 and name HA )) 4.400 2.500 1.600 peak 880 spectrum 1 weight 0.11000E+01 volume 0.27599E-03 ppm1 8.133 ppm2 4.400 CV 1 OR { 880} (( segid "alk1" and resid 67 and name HN )) (( segid "alk1" and resid 68 and name HA )) ASSI { 901} (( segid "alk1" and resid 72 and name HN )) (( segid "alk1" and resid 73 and name HN )) 4.100 2.200 1.900 peak 901 spectrum 1 weight 0.11000E+01 volume 0.47738E-03 ppm1 7.908 ppm2 8.845 CV 1 OR { 901} (( segid "alk1" and resid 72 and name HN )) (( segid "alk1" and resid 36 and name HN )) ASSI { 919} (( segid "alk1" and resid 20 and name HN )) (( segid "alk1" and resid 49 and name HA )) 4.100 2.100 1.900 peak 919 spectrum 1 weight 0.11000E+01 volume 0.53869E-03 ppm1 9.108 ppm2 5.392 CV 1 OR { 919} (( segid "alk1" and resid 20 and name HN )) (( segid "alk1" and resid 28 and name HA )) ASSI { 921} (( segid "alk1" and resid 20 and name HN )) (( segid "alk1" and resid 21 and name HB1 )) 4.400 2.400 1.600 peak 921 spectrum 1 weight 0.11000E+01 volume 0.43504E-03 ppm1 9.107 ppm2 3.990 CV 1 OR { 921} (( segid "alk1" and resid 20 and name HN )) (( segid "alk1" and resid 18 and name HA )) ASSI { 922} (( segid "alk1" and resid 20 and name HN )) (( segid "alk1" and resid 22 and name HD2 )) 3.900 1.900 1.900 peak 922 spectrum 1 weight 0.11000E+01 volume 0.78322E-03 ppm1 9.106 ppm2 3.173 CV 1 OR { 922} (( segid "alk1" and resid 20 and name HN )) (( segid "alk1" and resid 49 and name HB1 )) ASSI { 923} (( segid "alk1" and resid 15 and name HN )) (( segid "alk1" and resid 15 and name HA )) 2.500 0.800 0.800 peak 923 spectrum 1 weight 0.11000E+01 volume 0.46236E-02 ppm1 9.110 ppm2 4.448 CV 1 OR { 923} (( segid "alk1" and resid 15 and name HN )) (( segid "alk1" and resid 32 and name HA )) OR { 923} (( segid "alk1" and resid 15 and name HN )) (( segid "alk1" and resid 31 and name HA1 )) ASSI { 968} (( segid "alk1" and resid 32 and name HN )) (( segid "alk1" and resid 30 and name HB1 )) 3.000 3.000 3.000 peak 968 spectrum 1 weight 0.10000E+01 volume 0.55824E-03 ppm1 7.732 ppm2 1.608 CV 1 OR { 968} (( segid "alk1" and resid 32 and name HN )) (( segid "alk1" and resid 30 and name HG2 )) OR { 968} (( segid "alk1" and resid 32 and name HN )) (( segid "alk1" and resid 30 and name HG1 )) OR { 968} (( segid "alk1" and resid 32 and name HN )) (( segid "alk1" and resid 19 and name HB2 )) OR { 968} (( segid "alk1" and resid 32 and name HN )) (( segid "alk1" and resid 77 and name HB1 )) ASSI { 978} (( segid "alk1" and resid 36 and name HN )) ( segid "alk1" and resid 37 and name HG2%) 4.300 2.300 1.700 peak 978 spectrum 1 weight 0.11000E+01 volume 0.50282E-03 ppm1 8.841 ppm2 0.785 CV 1 OR { 978} (( segid "alk1" and resid 36 and name HN )) ( segid "alk1" and resid 82 and name HG1%) ASSI { 992} (( segid "alk1" and resid 44 and name HN )) ( segid "alk1" and resid 39 and name HG1%) 3.600 3.600 2.400 peak 992 spectrum 1 weight 0.10000E+01 volume 0.35401E-03 ppm1 7.894 ppm2 0.793 CV 1 OR { 992} (( segid "alk1" and resid 44 and name HN )) ( segid "alk1" and resid 38 and name HD1%) ASSI { 1019} (( segid "alk1" and resid 53 and name HN )) ( segid "alk1" and resid 15 and name HG1%) 4.300 2.400 1.700 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.18606E-03 ppm1 8.684 ppm2 0.784 CV 1 OR { 1019} (( segid "alk1" and resid 53 and name HN )) ( segid "alk1" and resid 59 and name HD1%) OR { 1019} (( segid "alk1" and resid 53 and name HN )) ( segid "alk1" and resid 55 and name HD2%) ASSI { 1020} (( segid "alk1" and resid 54 and name HN )) ( segid "alk1" and resid 35 and name HG2%) 6.000 5.300 0.000 peak 1020 spectrum 1 weight 0.11000E+01 volume 0.44580E-04 ppm1 8.104 ppm2 1.229 CV 1 OR { 1020} (( segid "alk1" and resid 54 and name HN )) (( segid "alk1" and resid 55 and name HB2 )) ASSI { 1029} (( segid "alk1" and resid 58 and name HN )) (( segid "alk1" and resid 57 and name HG2 )) 4.600 2.600 1.400 peak 1029 spectrum 1 weight 0.11000E+01 volume 0.41972E-03 ppm1 9.761 ppm2 0.756 CV 1 OR { 1029} (( segid "alk1" and resid 58 and name HN )) ( segid "alk1" and resid 59 and name HD2%) OR { 1029} (( segid "alk1" and resid 58 and name HN )) ( segid "alk1" and resid 59 and name HD1%) ASSI { 1035} (( segid "alk1" and resid 58 and name HN )) (( segid "alk1" and resid 60 and name HN )) 5.200 3.400 0.800 peak 1035 spectrum 1 weight 0.11000E+01 volume 0.99720E-04 ppm1 9.765 ppm2 7.636 CV 1 OR { 1035} (( segid "alk1" and resid 58 and name HN )) (( segid "alk1" and resid 61 and name HN )) ASSI { 1037} (( segid "alk1" and resid 59 and name HN )) (( segid "alk1" and resid 57 and name HN )) 4.600 2.700 1.400 peak 1037 spectrum 1 weight 0.11000E+01 volume 0.19596E-03 ppm1 7.348 ppm2 8.876 CV 1 OR { 1037} (( segid "alk1" and resid 59 and name HN )) (( segid "alk1" and resid 56 and name HN )) ASSI { 1041} (( segid "alk1" and resid 59 and name HN )) (( segid "alk1" and resid 60 and name HN )) 2.800 1.000 1.000 peak 1041 spectrum 1 weight 0.11000E+01 volume 0.24535E-02 ppm1 7.342 ppm2 7.630 CV 1 OR { 1041} (( segid "alk1" and resid 59 and name HN )) (( segid "alk1" and resid 61 and name HN )) ASSI { 1055} (( segid "alk1" and resid 60 and name HN )) (( segid "alk1" and resid 58 and name HB2 )) 3.900 1.900 1.900 peak 1055 spectrum 1 weight 0.11000E+01 volume 0.52019E-03 ppm1 7.635 ppm2 1.969 CV 1 OR { 1055} (( segid "alk1" and resid 60 and name HN )) (( segid "alk1" and resid 57 and name HD1 )) ASSI { 1059} (( segid "alk1" and resid 60 and name HN )) ( segid "alk1" and resid 59 and name HD2%) 2.600 2.600 3.400 peak 1059 spectrum 1 weight 0.11000E+01 volume 0.99535E-03 ppm1 7.637 ppm2 0.756 CV 1 OR { 1059} (( segid "alk1" and resid 60 and name HN )) ( segid "alk1" and resid 59 and name HD1%) OR { 1059} (( segid "alk1" and resid 60 and name HN )) (( segid "alk1" and resid 57 and name HG2 )) ASSI { 1064} (( segid "alk1" and resid 60 and name HN )) (( segid "alk1" and resid 57 and name HN )) 6.000 6.000 0.000 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.39541E-05 ppm1 7.637 ppm2 8.870 CV 1 OR { 1064} (( segid "alk1" and resid 60 and name HN )) (( segid "alk1" and resid 36 and name HN )) OR { 1064} (( segid "alk1" and resid 60 and name HN )) (( segid "alk1" and resid 73 and name HN )) ASSI { 1075} (( segid "alk1" and resid 62 and name HN )) (( segid "alk1" and resid 61 and name HN )) 3.200 1.300 1.300 peak 1075 spectrum 1 weight 0.11000E+01 volume 0.13496E-02 ppm1 8.139 ppm2 7.632 CV 1 OR { 1075} (( segid "alk1" and resid 62 and name HN )) (( segid "alk1" and resid 60 and name HN )) ASSI { 1081} (( segid "alk1" and resid 63 and name HN )) (( segid "alk1" and resid 61 and name HA )) 3.200 3.200 2.800 peak 1081 spectrum 1 weight 0.11000E+01 volume 0.98228E-03 ppm1 8.221 ppm2 4.507 CV 1 OR { 1081} (( segid "alk1" and resid 63 and name HN )) (( segid "alk1" and resid 64 and name HA )) OR { 1081} (( segid "alk1" and resid 63 and name HN )) (( segid "alk1" and resid 65 and name HB )) ASSI { 1100} (( segid "alk1" and resid 80 and name HN )) ( segid "alk1" and resid 82 and name HG1%) 3.500 1.600 1.600 peak 1100 spectrum 1 weight 0.10000E+01 volume 0.98798E-03 ppm1 7.787 ppm2 0.772 CV 1 OR { 1100} (( segid "alk1" and resid 68 and name HN )) ( segid "alk1" and resid 38 and name HD2%) ASSI { 1130} (( segid "alk1" and resid 86 and name HN )) (( segid "alk1" and resid 38 and name HN )) 2.700 2.700 3.300 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.83498E-03 ppm1 8.065 ppm2 8.449 CV 1 OR { 1130} (( segid "alk1" and resid 86 and name HN )) (( segid "alk1" and resid 69 and name HN )) ASSI { 1132} (( segid "alk1" and resid 85 and name HN )) (( segid "alk1" and resid 86 and name HN )) 3.100 1.200 1.200 peak 1132 spectrum 1 weight 0.11000E+01 volume 0.13881E-02 ppm1 7.823 ppm2 8.056 CV 1 OR { 1132} (( segid "alk1" and resid 85 and name HN )) (( segid "alk1" and resid 87 and name HN )) ASSI { 1135} (( segid "alk1" and resid 85 and name HN )) (( segid "alk1" and resid 48 and name HG2 )) 3.600 1.600 1.600 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.18731E-03 ppm1 7.823 ppm2 2.040 CV 1 OR { 1135} (( segid "alk1" and resid 85 and name HN )) (( segid "alk1" and resid 48 and name HG1 )) OR { 1135} (( segid "alk1" and resid 85 and name HN )) (( segid "alk1" and resid 90 and name HB1 )) ASSI { 1138} (( segid "alk1" and resid 84 and name HN )) (( segid "alk1" and resid 93 and name HN )) 3.400 3.400 2.600 peak 1138 spectrum 1 weight 0.11000E+01 volume 0.19769E-03 ppm1 9.621 ppm2 8.364 CV 1 OR { 1138} (( segid "alk1" and resid 84 and name HN )) (( segid "alk1" and resid 94 and name HN )) ASSI { 1139} (( segid "alk1" and resid 84 and name HN )) (( segid "alk1" and resid 86 and name HN )) 5.800 4.100 0.200 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.67074E-04 ppm1 9.623 ppm2 8.073 CV 1 OR { 1139} (( segid "alk1" and resid 84 and name HN )) (( segid "alk1" and resid 87 and name HN )) ASSI { 1213} (( segid "alk1" and resid 33 and name HE1 )) (( segid "alk1" and resid 35 and name HA )) 6.000 4.700 0.000 peak 1213 spectrum 1 weight 0.11000E+01 volume 0.96059E-04 ppm1 9.884 ppm2 5.915 CV 1 OR { 1213} (( segid "alk1" and resid 33 and name HE1 )) (( segid "alk1" and resid 34 and name HA )) ASSI { 1215} (( segid "alk1" and resid 33 and name HE1 )) (( segid "alk1" and resid 55 and name HA )) 5.900 4.300 0.100 peak 1215 spectrum 1 weight 0.11000E+01 volume 0.52297E-04 ppm1 9.872 ppm2 4.673 CV 1 OR { 1215} (( segid "alk1" and resid 33 and name HE1 )) (( segid "alk1" and resid 33 and name HA )) ASSI { 1216} (( segid "alk1" and resid 33 and name HE1 )) (( segid "alk1" and resid 57 and name HA )) 3.900 1.900 1.900 peak 1216 spectrum 1 weight 0.11000E+01 volume 0.46903E-03 ppm1 9.886 ppm2 3.322 CV 1 OR { 1216} (( segid "alk1" and resid 33 and name HE1 )) (( segid "alk1" and resid 33 and name HB2 )) ASSI { 11} (( segid "alk1" and resid 83 and name HB1 )) (( segid "alk1" and resid 93 and name HN )) 3.800 1.800 1.800 peak 11 spectrum 1 weight 0.10000E+01 volume 0.51436E-03 ppm1 3.647 ppm2 8.367 CV 1 OR { 11} (( segid "alk1" and resid 83 and name HB1 )) (( segid "alk1" and resid 94 and name HN )) ASSI { 12} (( segid "alk1" and resid 83 and name HB2 )) (( segid "alk1" and resid 93 and name HN )) 3.400 1.400 1.400 peak 12 spectrum 1 weight 0.10000E+01 volume 0.12871E-02 ppm1 3.576 ppm2 8.367 CV 1 OR { 12} (( segid "alk1" and resid 83 and name HB2 )) (( segid "alk1" and resid 94 and name HN )) ASSI { 19} (( segid "alk1" and resid 9 and name HA )) (( segid "alk1" and resid 10 and name HN )) 2.400 0.700 0.700 peak 19 spectrum 1 weight 0.10000E+01 volume 0.72425E-02 ppm1 4.428 ppm2 8.292 CV 1 OR { 19} (( segid "alk1" and resid 9 and name HA )) (( segid "alk1" and resid 11 and name HN )) ASSI { 21} (( segid "alk1" and resid 85 and name HA )) (( segid "alk1" and resid 86 and name HN )) 2.700 0.900 0.900 peak 21 spectrum 1 weight 0.10000E+01 volume 0.28474E-02 ppm1 3.939 ppm2 8.064 CV 1 OR { 21} (( segid "alk1" and resid 85 and name HA )) (( segid "alk1" and resid 87 and name HN )) ASSI { 96} (( segid "alk1" and resid 6 and name HA )) (( segid "alk1" and resid 6 and name HB1 )) 1.900 0.500 0.500 peak 96 spectrum 1 weight 0.10000E+01 volume 0.17350E-01 ppm1 4.421 ppm2 2.269 CV 1 OR { 96} (( segid "alk1" and resid 92 and name HA )) (( segid "alk1" and resid 92 and name HB2 )) OR { 96} (( segid "alk1" and resid 13 and name HA )) (( segid "alk1" and resid 13 and name HB1 )) OR { 96} (( segid "alk1" and resid 9 and name HA )) (( segid "alk1" and resid 9 and name HB1 )) ASSI { 97} (( segid "alk1" and resid 13 and name HA )) (( segid "alk1" and resid 13 and name HB2 )) 2.300 0.700 0.700 peak 97 spectrum 1 weight 0.10000E+01 volume 0.15829E-01 ppm1 4.420 ppm2 1.989 CV 1 OR { 97} (( segid "alk1" and resid 92 and name HA )) (( segid "alk1" and resid 92 and name HG1 )) OR { 97} (( segid "alk1" and resid 6 and name HA )) (( segid "alk1" and resid 6 and name HG2 )) OR { 97} (( segid "alk1" and resid 6 and name HA )) (( segid "alk1" and resid 6 and name HG1 )) OR { 97} (( segid "alk1" and resid 92 and name HA )) (( segid "alk1" and resid 92 and name HG2 )) ASSI { 156} (( segid "alk1" and resid 92 and name HD1 )) (( segid "alk1" and resid 92 and name HG1 )) 1.700 0.400 0.500 peak 156 spectrum 1 weight 0.10000E+01 volume 0.38841E-01 ppm1 3.816 ppm2 1.994 CV 1 OR { 156} (( segid "alk1" and resid 6 and name HD2 )) (( segid "alk1" and resid 6 and name HG1 )) OR { 156} (( segid "alk1" and resid 92 and name HD1 )) (( segid "alk1" and resid 92 and name HG2 )) OR { 156} (( segid "alk1" and resid 6 and name HD2 )) (( segid "alk1" and resid 6 and name HG2 )) ASSI { 157} (( segid "alk1" and resid 6 and name HD1 )) (( segid "alk1" and resid 6 and name HG2 )) 2.300 0.700 0.700 peak 157 spectrum 1 weight 0.10000E+01 volume 0.72562E-02 ppm1 3.716 ppm2 1.995 CV 1 OR { 157} (( segid "alk1" and resid 6 and name HD1 )) (( segid "alk1" and resid 6 and name HG1 )) OR { 157} (( segid "alk1" and resid 64 and name HD1 )) (( segid "alk1" and resid 64 and name HB2 )) ASSI { 161} (( segid "alk1" and resid 46 and name HD2 )) (( segid "alk1" and resid 41 and name HB1 )) 2.200 2.200 3.800 peak 161 spectrum 1 weight 0.10000E+01 volume 0.31899E-02 ppm1 3.444 ppm2 1.946 CV 1 OR { 161} (( segid "alk1" and resid 46 and name HD2 )) (( segid "alk1" and resid 42 and name HB1 )) ASSI { 220} (( segid "alk1" and resid 18 and name HB )) (( segid "alk1" and resid 51 and name HA2 )) 4.800 2.900 1.200 peak 220 spectrum 1 weight 0.10000E+01 volume 0.10123E-03 ppm1 3.481 ppm2 3.866 CV 1 OR { 220} (( segid "alk1" and resid 18 and name HB )) (( segid "alk1" and resid 78 and name HB1 )) ASSI { 311} (( segid "alk1" and resid 31 and name HA2 )) ( segid "alk1" and resid 14 and name HD1%) 3.700 1.700 1.700 peak 311 spectrum 1 weight 0.10000E+01 volume 0.54406E-03 ppm1 3.328 ppm2 0.764 CV 1 OR { 311} (( segid "alk1" and resid 31 and name HA2 )) ( segid "alk1" and resid 15 and name HG2%) OR { 311} (( segid "alk1" and resid 31 and name HA2 )) ( segid "alk1" and resid 15 and name HG1%) ASSI { 337} (( segid "alk1" and resid 34 and name HA )) (( segid "alk1" and resid 79 and name HB2 )) 4.200 2.200 1.800 peak 337 spectrum 1 weight 0.10000E+01 volume 0.68023E-03 ppm1 5.892 ppm2 2.436 CV 1 OR { 337} (( segid "alk1" and resid 34 and name HA )) (( segid "alk1" and resid 52 and name HB2 )) ASSI { 354} (( segid "alk1" and resid 35 and name HA )) (( segid "alk1" and resid 71 and name HB2 )) 4.700 2.800 1.300 peak 354 spectrum 1 weight 0.10000E+01 volume 0.42149E-03 ppm1 5.923 ppm2 2.847 CV 1 OR { 354} (( segid "alk1" and resid 35 and name HA )) (( segid "alk1" and resid 60 and name HB2 )) ASSI { 358} (( segid "alk1" and resid 35 and name HA )) ( segid "alk1" and resid 37 and name HG1%) 4.300 2.400 1.700 peak 358 spectrum 1 weight 0.10000E+01 volume 0.61831E-03 ppm1 5.919 ppm2 0.663 CV 1 OR { 358} (( segid "alk1" and resid 35 and name HA )) ( segid "alk1" and resid 84 and name HD1%) ASSI { 366} (( segid "alk1" and resid 35 and name HB )) (( segid "alk1" and resid 71 and name HN )) 3.800 1.800 1.800 peak 366 spectrum 1 weight 0.10000E+01 volume 0.53916E-03 ppm1 4.018 ppm2 9.058 CV 1 OR { 366} (( segid "alk1" and resid 35 and name HB )) (( segid "alk1" and resid 37 and name HN )) ASSI { 390} (( segid "alk1" and resid 48 and name HA )) ( segid "alk1" and resid 84 and name HD2%) 4.200 2.200 1.800 peak 390 spectrum 1 weight 0.10000E+01 volume 0.33231E-03 ppm1 5.083 ppm2 0.579 CV 1 OR { 390} (( segid "alk1" and resid 48 and name HA )) ( segid "alk1" and resid 39 and name HG2%) ASSI { 491} (( segid "alk1" and resid 58 and name HA )) (( segid "alk1" and resid 61 and name HG2 )) 3.400 1.500 1.500 peak 491 spectrum 1 weight 0.11000E+01 volume 0.12453E-02 ppm1 4.030 ppm2 1.582 CV 1 OR { 491} (( segid "alk1" and resid 58 and name HA )) (( segid "alk1" and resid 61 and name HG1 )) OR { 491} (( segid "alk1" and resid 58 and name HA )) (( segid "alk1" and resid 59 and name HG )) ASSI { 498} (( segid "alk1" and resid 60 and name HA )) (( segid "alk1" and resid 70 and name HB1 )) 4.600 2.600 1.400 peak 498 spectrum 1 weight 0.11000E+01 volume 0.20389E-03 ppm1 4.262 ppm2 3.330 CV 1 OR { 498} (( segid "alk1" and resid 60 and name HA )) (( segid "alk1" and resid 57 and name HA )) ASSI { 613} (( segid "alk1" and resid 83 and name HB2 )) (( segid "alk1" and resid 92 and name HA )) 4.500 2.500 1.500 peak 613 spectrum 1 weight 0.10000E+01 volume 0.24432E-03 ppm1 3.563 ppm2 4.425 CV 1 OR { 613} (( segid "alk1" and resid 83 and name HB2 )) (( segid "alk1" and resid 93 and name HA )) ASSI { 617} (( segid "alk1" and resid 84 and name HA )) ( segid "alk1" and resid 85 and name HG2%) 4.100 2.100 1.900 peak 617 spectrum 1 weight 0.10000E+01 volume 0.44090E-03 ppm1 4.363 ppm2 0.763 CV 1 OR { 617} (( segid "alk1" and resid 84 and name HA )) ( segid "alk1" and resid 38 and name HD2%) OR { 617} (( segid "alk1" and resid 84 and name HA )) ( segid "alk1" and resid 86 and name HD2%) ASSI { 632} (( segid "alk1" and resid 93 and name HB2 )) (( segid "alk1" and resid 93 and name HN )) 2.900 1.100 1.100 peak 632 spectrum 1 weight 0.11000E+01 volume 0.24388E-02 ppm1 3.846 ppm2 8.352 CV 1 OR { 632} (( segid "alk1" and resid 93 and name HB1 )) (( segid "alk1" and resid 93 and name HN )) OR { 632} (( segid "alk1" and resid 93 and name HB1 )) (( segid "alk1" and resid 94 and name HN )) OR { 632} (( segid "alk1" and resid 93 and name HB2 )) (( segid "alk1" and resid 94 and name HN )) ASSI { 653} (( segid "alk1" and resid 14 and name HB2 )) (( segid "alk1" and resid 31 and name HN )) 4.700 2.800 1.300 peak 653 spectrum 1 weight 0.10000E+01 volume 0.41241E-03 ppm1 1.224 ppm2 8.867 CV 1 OR { 653} (( segid "alk1" and resid 14 and name HB2 )) (( segid "alk1" and resid 16 and name HN )) ASSI { 669} (( segid "alk1" and resid 22 and name HD1 )) (( segid "alk1" and resid 22 and name HA )) 3.600 1.700 1.700 peak 669 spectrum 1 weight 0.11000E+01 volume 0.10838E-02 ppm1 3.338 ppm2 4.382 CV 1 OR { 669} (( segid "alk1" and resid 22 and name HD1 )) (( segid "alk1" and resid 25 and name HA )) OR { 669} (( segid "alk1" and resid 22 and name HD1 )) (( segid "alk1" and resid 24 and name HA )) ASSI { 686} (( segid "alk1" and resid 22 and name HD2 )) (( segid "alk1" and resid 21 and name HN )) 4.600 2.600 1.400 peak 686 spectrum 1 weight 0.11000E+01 volume 0.23718E-03 ppm1 3.179 ppm2 7.769 CV 1 OR { 686} (( segid "alk1" and resid 22 and name HD2 )) (( segid "alk1" and resid 26 and name HN )) ASSI { 724} (( segid "alk1" and resid 30 and name HD1 )) (( segid "alk1" and resid 31 and name HN )) 3.500 1.500 1.500 peak 724 spectrum 1 weight 0.11000E+01 volume 0.19153E-03 ppm1 3.059 ppm2 8.872 CV 1 OR { 724} (( segid "alk1" and resid 30 and name HD2 )) (( segid "alk1" and resid 31 and name HN )) OR { 724} (( segid "alk1" and resid 30 and name HD1 )) (( segid "alk1" and resid 16 and name HN )) OR { 724} (( segid "alk1" and resid 30 and name HD2 )) (( segid "alk1" and resid 16 and name HN )) ASSI { 729} (( segid "alk1" and resid 56 and name HA )) (( segid "alk1" and resid 57 and name HN )) 2.800 1.000 1.000 peak 729 spectrum 1 weight 0.11000E+01 volume 0.21880E-02 ppm1 4.989 ppm2 8.881 CV 1 OR { 729} (( segid "alk1" and resid 56 and name HA )) (( segid "alk1" and resid 56 and name HN )) ASSI { 732} (( segid "alk1" and resid 56 and name HA )) (( segid "alk1" and resid 55 and name HB2 )) 4.900 3.000 1.100 peak 732 spectrum 1 weight 0.11000E+01 volume 0.10213E-03 ppm1 4.980 ppm2 1.211 CV 1 OR { 732} (( segid "alk1" and resid 56 and name HA )) (( segid "alk1" and resid 57 and name HG1 )) ASSI { 738} (( segid "alk1" and resid 61 and name HA )) (( segid "alk1" and resid 61 and name HN )) 5.100 3.300 0.900 peak 738 spectrum 1 weight 0.11000E+01 volume 0.70876E-04 ppm1 4.496 ppm2 7.617 CV 1 OR { 738} (( segid "alk1" and resid 61 and name HA )) (( segid "alk1" and resid 60 and name HN )) ASSI { 55} (( segid "alk1" and resid 92 and name HG1 )) (( segid "alk1" and resid 92 and name HA )) 3.400 1.500 1.500 peak 55 spectrum 1 weight 0.10000E+01 volume 0.24808E-02 ppm1 2.016 ppm2 4.427 CV 1 OR { 55} (( segid "alk1" and resid 6 and name HG2 )) (( segid "alk1" and resid 6 and name HA )) OR { 55} (( segid "alk1" and resid 96 and name HG1 )) (( segid "alk1" and resid 96 and name HA )) OR { 55} (( segid "alk1" and resid 6 and name HG1 )) (( segid "alk1" and resid 6 and name HA )) OR { 55} (( segid "alk1" and resid 96 and name HG2 )) (( segid "alk1" and resid 96 and name HA )) OR { 55} (( segid "alk1" and resid 92 and name HG2 )) (( segid "alk1" and resid 92 and name HA )) OR { 55} (( segid "alk1" and resid 96 and name HG1 )) (( segid "alk1" and resid 95 and name HA )) OR { 55} (( segid "alk1" and resid 96 and name HG2 )) (( segid "alk1" and resid 95 and name HA )) ASSI { 172} ( segid "alk1" and resid 16 and name HG2%) (( segid "alk1" and resid 51 and name HA2 )) 3.800 1.800 1.800 peak 172 spectrum 1 weight 0.10000E+01 volume 0.90316E-03 ppm1 1.152 ppm2 3.850 CV 1 OR { 172} ( segid "alk1" and resid 16 and name HG2%) (( segid "alk1" and resid 78 and name HB1 )) OR { 172} ( segid "alk1" and resid 16 and name HG2%) (( segid "alk1" and resid 75 and name HB1 )) ASSI { 176} ( segid "alk1" and resid 15 and name HG2%) (( segid "alk1" and resid 14 and name HA )) 3.500 1.500 1.500 peak 176 spectrum 1 weight 0.10000E+01 volume 0.16381E-02 ppm1 0.783 ppm2 4.535 CV 1 OR { 176} ( segid "alk1" and resid 15 and name HG2%) (( segid "alk1" and resid 76 and name HA )) ASSI { 179} ( segid "alk1" and resid 15 and name HG2%) (( segid "alk1" and resid 75 and name HA )) 3.100 1.200 1.200 peak 179 spectrum 1 weight 0.10000E+01 volume 0.16944E-02 ppm1 0.780 ppm2 4.897 CV 1 OR { 179} ( segid "alk1" and resid 15 and name HG2%) (( segid "alk1" and resid 16 and name HA )) ASSI { 193} ( segid "alk1" and resid 98 and name HG2%) (( segid "alk1" and resid 98 and name HB )) 2.300 0.600 0.600 peak 193 spectrum 1 weight 0.10000E+01 volume 0.90236E-02 ppm1 1.151 ppm2 4.246 CV 1 OR { 193} ( segid "alk1" and resid 16 and name HG2%) (( segid "alk1" and resid 28 and name HB )) ASSI { 206} ( segid "alk1" and resid 82 and name HG1%) (( segid "alk1" and resid 94 and name HN )) 3.500 1.600 1.600 peak 206 spectrum 1 weight 0.10000E+01 volume 0.10046E-02 ppm1 0.803 ppm2 8.359 CV 1 OR { 206} ( segid "alk1" and resid 82 and name HG1%) (( segid "alk1" and resid 93 and name HN )) ASSI { 253} ( segid "alk1" and resid 85 and name HG1%) (( segid "alk1" and resid 69 and name HD21)) 4.400 2.400 1.600 peak 253 spectrum 1 weight 0.10000E+01 volume 0.32461E-03 ppm1 0.801 ppm2 6.913 CV 1 OR { 253} ( segid "alk1" and resid 82 and name HG1%) (( segid "alk1" and resid 69 and name HD21)) ASSI { 282} ( segid "alk1" and resid 85 and name HG1%) (( segid "alk1" and resid 69 and name HD22)) 5.200 3.300 0.800 peak 282 spectrum 1 weight 0.10000E+01 volume 0.12673E-03 ppm1 0.789 ppm2 7.555 CV 1 OR { 282} ( segid "alk1" and resid 37 and name HG2%) (( segid "alk1" and resid 69 and name HD22)) OR { 282} ( segid "alk1" and resid 82 and name HG1%) (( segid "alk1" and resid 69 and name HD22)) ASSI { 335} ( segid "alk1" and resid 15 and name HG1%) (( segid "alk1" and resid 75 and name HA )) 4.800 2.800 1.200 peak 335 spectrum 1 weight 0.10000E+01 volume 0.12793E-03 ppm1 0.787 ppm2 4.892 CV 1 OR { 335} ( segid "alk1" and resid 15 and name HG1%) (( segid "alk1" and resid 16 and name HA )) OR { 335} ( segid "alk1" and resid 15 and name HG1%) (( segid "alk1" and resid 17 and name HA )) ASSI { 401} (( segid "alk1" and resid 15 and name HB )) (( segid "alk1" and resid 16 and name HA )) 4.900 3.000 1.100 peak 401 spectrum 1 weight 0.11000E+01 volume 0.14894E-03 ppm1 1.839 ppm2 4.886 CV 1 OR { 401} (( segid "alk1" and resid 15 and name HB )) (( segid "alk1" and resid 75 and name HA )) ASSI { 420} (( segid "alk1" and resid 15 and name HB )) (( segid "alk1" and resid 14 and name HA )) 4.200 2.200 1.800 peak 420 spectrum 1 weight 0.11000E+01 volume 0.91661E-03 ppm1 1.839 ppm2 4.532 CV 1 OR { 420} (( segid "alk1" and resid 15 and name HB )) (( segid "alk1" and resid 76 and name HA )) ASSI { 438} (( segid "alk1" and resid 19 and name HB1 )) (( segid "alk1" and resid 26 and name HN )) 4.800 2.900 1.200 peak 438 spectrum 1 weight 0.10000E+01 volume 0.79716E-04 ppm1 3.784 ppm2 7.771 CV 1 OR { 438} (( segid "alk1" and resid 19 and name HB1 )) (( segid "alk1" and resid 21 and name HN )) ASSI { 464} (( segid "alk1" and resid 22 and name HG2 )) (( segid "alk1" and resid 19 and name HB1 )) 4.700 2.800 1.300 peak 464 spectrum 1 weight 0.10000E+01 volume 0.12816E-03 ppm1 1.886 ppm2 3.810 CV 1 OR { 464} (( segid "alk1" and resid 22 and name HG2 )) (( segid "alk1" and resid 21 and name HB2 )) ASSI { 517} (( segid "alk1" and resid 33 and name HB1 )) (( segid "alk1" and resid 74 and name HB1 )) 6.000 4.500 0.000 peak 517 spectrum 1 weight 0.11000E+01 volume 0.66454E-04 ppm1 3.519 ppm2 2.898 CV 1 OR { 517} (( segid "alk1" and resid 33 and name HB1 )) (( segid "alk1" and resid 72 and name HB1 )) ASSI { 577} ( segid "alk1" and resid 37 and name HG1%) (( segid "alk1" and resid 36 and name HN )) 4.000 2.000 2.000 peak 577 spectrum 1 weight 0.11000E+01 volume 0.68948E-03 ppm1 0.663 ppm2 8.850 CV 1 OR { 577} ( segid "alk1" and resid 37 and name HG1%) (( segid "alk1" and resid 39 and name HN )) ASSI { 585} (( segid "alk1" and resid 38 and name HG )) (( segid "alk1" and resid 85 and name HB )) 3.900 1.900 1.900 peak 585 spectrum 1 weight 0.10000E+01 volume 0.73896E-03 ppm1 1.387 ppm2 1.930 CV 1 OR { 585} (( segid "alk1" and resid 38 and name HG )) (( segid "alk1" and resid 41 and name HB1 )) OR { 585} (( segid "alk1" and resid 38 and name HG )) (( segid "alk1" and resid 87 and name HB2 )) OR { 585} (( segid "alk1" and resid 38 and name HG )) (( segid "alk1" and resid 36 and name HB )) ASSI { 646} (( segid "alk1" and resid 49 and name HB2 )) (( segid "alk1" and resid 20 and name HB1 )) 6.000 4.900 0.000 peak 646 spectrum 1 weight 0.11000E+01 volume 0.57906E-04 ppm1 3.027 ppm2 2.032 CV 1 OR { 646} (( segid "alk1" and resid 49 and name HB2 )) (( segid "alk1" and resid 48 and name HG2 )) ASSI { 653} (( segid "alk1" and resid 54 and name HB2 )) ( segid "alk1" and resid 32 and name HB% ) 4.100 2.100 1.900 peak 653 spectrum 1 weight 0.11000E+01 volume 0.85888E-03 ppm1 2.343 ppm2 1.500 CV 1 OR { 653} (( segid "alk1" and resid 54 and name HB2 )) (( segid "alk1" and resid 55 and name HB1 )) ASSI { 659} (( segid "alk1" and resid 56 and name HB1 )) (( segid "alk1" and resid 56 and name HN )) 4.500 2.600 1.500 peak 659 spectrum 1 weight 0.11000E+01 volume 0.42840E-03 ppm1 3.482 ppm2 8.896 CV 1 OR { 659} (( segid "alk1" and resid 56 and name HB1 )) (( segid "alk1" and resid 57 and name HN )) ASSI { 688} (( segid "alk1" and resid 58 and name HG1 )) (( segid "alk1" and resid 58 and name HA )) 3.000 1.200 1.200 peak 688 spectrum 1 weight 0.11000E+01 volume 0.24401E-02 ppm1 2.077 ppm2 4.041 CV 1 OR { 688} (( segid "alk1" and resid 58 and name HG1 )) (( segid "alk1" and resid 59 and name HA )) ASSI { 692} (( segid "alk1" and resid 58 and name HG2 )) (( segid "alk1" and resid 58 and name HA )) 3.300 1.300 1.300 peak 692 spectrum 1 weight 0.11000E+01 volume 0.22926E-02 ppm1 2.455 ppm2 4.042 CV 1 OR { 692} (( segid "alk1" and resid 58 and name HG2 )) (( segid "alk1" and resid 59 and name HA )) ASSI { 715} (( segid "alk1" and resid 67 and name HB1 )) (( segid "alk1" and resid 44 and name HB1 )) 4.300 2.300 1.700 peak 715 spectrum 1 weight 0.10000E+01 volume 0.49404E-04 ppm1 3.266 ppm2 1.894 CV 1 OR { 715} (( segid "alk1" and resid 67 and name HB1 )) (( segid "alk1" and resid 101 and name HB2 )) OR { 715} (( segid "alk1" and resid 67 and name HB1 )) (( segid "alk1" and resid 61 and name HB2 )) ASSI { 721} (( segid "alk1" and resid 68 and name HB )) ( segid "alk1" and resid 37 and name HG2%) 4.700 2.700 1.300 peak 721 spectrum 1 weight 0.10000E+01 volume 0.20844E-03 ppm1 2.075 ppm2 0.761 CV 1 OR { 721} (( segid "alk1" and resid 68 and name HB )) ( segid "alk1" and resid 86 and name HD2%) OR { 721} (( segid "alk1" and resid 68 and name HB )) ( segid "alk1" and resid 38 and name HD2%) ASSI { 736} (( segid "alk1" and resid 69 and name HB2 )) ( segid "alk1" and resid 86 and name HD2%) 3.100 1.200 1.200 peak 736 spectrum 1 weight 0.11000E+01 volume 0.21825E-02 ppm1 2.949 ppm2 0.757 CV 1 OR { 736} (( segid "alk1" and resid 69 and name HB2 )) ( segid "alk1" and resid 38 and name HD2%) ASSI { 756} (( segid "alk1" and resid 71 and name HB2 )) ( segid "alk1" and resid 36 and name HG1%) 5.200 3.300 0.800 peak 756 spectrum 1 weight 0.10000E+01 volume 0.26686E-03 ppm1 2.850 ppm2 1.145 CV 1 OR { 756} (( segid "alk1" and resid 17 and name HB2 )) ( segid "alk1" and resid 16 and name HG2%) ASSI { 784} (( segid "alk1" and resid 79 and name HB1 )) (( segid "alk1" and resid 23 and name HE1 )) 2.500 2.500 3.500 peak 784 spectrum 1 weight 0.10000E+01 volume 0.14952E-02 ppm1 3.271 ppm2 8.062 CV 1 OR { 784} (( segid "alk1" and resid 79 and name HB1 )) (( segid "alk1" and resid 86 and name HN )) ASSI { 792} (( segid "alk1" and resid 79 and name HB2 )) (( segid "alk1" and resid 23 and name HE1 )) 2.400 2.400 3.600 peak 792 spectrum 1 weight 0.10000E+01 volume 0.16926E-02 ppm1 2.417 ppm2 8.069 CV 1 OR { 792} (( segid "alk1" and resid 79 and name HB2 )) (( segid "alk1" and resid 86 and name HN )) ASSI { 855} ( segid "alk1" and resid 84 and name HD1%) (( segid "alk1" and resid 37 and name HA )) 3.800 1.800 1.800 peak 855 spectrum 1 weight 0.11000E+01 volume 0.65489E-03 ppm1 0.691 ppm2 4.780 CV 1 OR { 855} ( segid "alk1" and resid 84 and name HD1%) (( segid "alk1" and resid 36 and name HA )) ASSI { 862} ( segid "alk1" and resid 84 and name HD1%) (( segid "alk1" and resid 84 and name HG )) 2.500 0.800 0.800 peak 862 spectrum 1 weight 0.11000E+01 volume 0.35857E-02 ppm1 0.694 ppm2 1.418 CV 1 OR { 862} ( segid "alk1" and resid 84 and name HD1%) (( segid "alk1" and resid 38 and name HB2 )) ASSI { 875} (( segid "alk1" and resid 85 and name HB )) (( segid "alk1" and resid 92 and name HB2 )) 2.000 2.000 4.000 peak 875 spectrum 1 weight 0.10000E+01 volume 0.53226E-02 ppm1 1.930 ppm2 2.279 CV 1 OR { 875} (( segid "alk1" and resid 85 and name HB )) (( segid "alk1" and resid 101 and name HG2 )) OR { 875} (( segid "alk1" and resid 85 and name HB )) (( segid "alk1" and resid 101 and name HG1 )) ASSI { 879} (( segid "alk1" and resid 54 and name HB1 )) ( segid "alk1" and resid 32 and name HB% ) 3.700 1.700 1.700 peak 879 spectrum 1 weight 0.11000E+01 volume 0.11563E-02 ppm1 2.477 ppm2 1.496 CV 1 OR { 879} (( segid "alk1" and resid 54 and name HB1 )) (( segid "alk1" and resid 55 and name HB1 )) ASSI { 887} ( segid "alk1" and resid 38 and name HD1%) (( segid "alk1" and resid 46 and name HB2 )) 2.800 1.000 1.000 peak 887 spectrum 1 weight 0.11000E+01 volume 0.20685E-02 ppm1 0.766 ppm2 1.777 CV 1 OR { 887} ( segid "alk1" and resid 38 and name HD1%) (( segid "alk1" and resid 48 and name HB2 )) ASSI { 904} (( segid "alk1" and resid 41 and name HB1 )) ( segid "alk1" and resid 39 and name HG1%) 4.400 2.400 1.600 peak 904 spectrum 1 weight 0.10000E+01 volume 0.10204E-03 ppm1 1.935 ppm2 0.785 CV 1 OR { 904} (( segid "alk1" and resid 41 and name HB1 )) ( segid "alk1" and resid 38 and name HD1%) OR { 904} (( segid "alk1" and resid 41 and name HB1 )) ( segid "alk1" and resid 38 and name HD2%) ASSI { 912} (( segid "alk1" and resid 56 and name HB2 )) (( segid "alk1" and resid 56 and name HN )) 6.000 5.600 0.000 peak 912 spectrum 1 weight 0.11000E+01 volume 0.10667E-04 ppm1 3.140 ppm2 8.888 CV 1 OR { 912} (( segid "alk1" and resid 56 and name HB2 )) (( segid "alk1" and resid 57 and name HN )) ASSI { 940} (( segid "alk1" and resid 61 and name HG1 )) (( segid "alk1" and resid 61 and name HN )) 5.500 3.700 0.500 peak 940 spectrum 1 weight 0.11000E+01 volume 0.54258E-04 ppm1 1.586 ppm2 7.637 CV 1 OR { 940} (( segid "alk1" and resid 61 and name HG2 )) (( segid "alk1" and resid 61 and name HN )) OR { 940} (( segid "alk1" and resid 61 and name HG1 )) (( segid "alk1" and resid 60 and name HN )) OR { 940} (( segid "alk1" and resid 61 and name HG2 )) (( segid "alk1" and resid 60 and name HN )) ASSI { 941} (( segid "alk1" and resid 30 and name HG1 )) ( segid "alk1" and resid 28 and name HG2%) 4.500 2.600 1.500 peak 941 spectrum 1 weight 0.10000E+01 volume 0.37057E-04 ppm1 1.587 ppm2 0.971 CV 1 OR { 941} (( segid "alk1" and resid 30 and name HG2 )) ( segid "alk1" and resid 28 and name HG2%) OR { 941} (( segid "alk1" and resid 61 and name HG1 )) ( segid "alk1" and resid 68 and name HG2%) OR { 941} (( segid "alk1" and resid 61 and name HG2 )) ( segid "alk1" and resid 68 and name HG1%) OR { 941} (( segid "alk1" and resid 61 and name HG1 )) ( segid "alk1" and resid 68 and name HG1%)
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