NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
458020 | 2kdp | 16127 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 1} (( segid "SAP " and resid 73 and name HA2 )) (( segid "SAP " and resid 73 and name HA1 )) 1.900 0.400 0.400 peak 1 spectrum 1 weight 0.10000E+01 volume 0.18096E-01 ppm1 4.188 ppm2 3.524 CV 1 ASSI { 6} (( segid "SAP " and resid 77 and name HA2 )) (( segid "SAP " and resid 77 and name HA1 )) 2.100 0.500 0.500 peak 6 spectrum 1 weight 0.10000E+01 volume 0.10464E-01 ppm1 4.350 ppm2 3.678 CV 1 ASSI { 8} ( segid "SAP " and resid 66 and name HD2%) (( segid "SAP " and resid 77 and name HA1 )) 5.300 3.500 0.700 peak 8 spectrum 1 weight 0.10000E+01 volume 0.90311E-04 ppm1 4.345 ppm2 0.663 CV 1 ASSI { 9} ( segid "SAP " and resid 66 and name HD1%) (( segid "SAP " and resid 77 and name HA1 )) 4.100 2.100 1.900 peak 9 spectrum 1 weight 0.10000E+01 volume 0.44988E-03 ppm1 4.350 ppm2 0.884 CV 1 ASSI { 10} ( segid "SAP " and resid 66 and name HD2%) (( segid "SAP " and resid 77 and name HA2 )) 4.600 2.600 1.400 peak 10 spectrum 1 weight 0.10000E+01 volume 0.12464E-03 ppm1 3.681 ppm2 0.663 CV 1 ASSI { 11} ( segid "SAP " and resid 66 and name HD1%) (( segid "SAP " and resid 77 and name HA2 )) 4.100 2.100 1.900 peak 11 spectrum 1 weight 0.10000E+01 volume 0.21728E-03 ppm1 3.675 ppm2 0.878 CV 1 ASSI { 12} (( segid "SAP " and resid 64 and name HA2 )) (( segid "SAP " and resid 64 and name HA1 )) 1.500 0.300 0.700 peak 12 spectrum 1 weight 0.10000E+01 volume 0.82983E-01 ppm1 3.866 ppm2 3.789 CV 1 ASSI { 14} (( segid "SAP " and resid 130 and name HA2 )) (( segid "SAP " and resid 130 and name HA1 )) 1.500 0.300 0.700 peak 14 spectrum 1 weight 0.10000E+01 volume 0.86312E-01 ppm1 4.004 ppm2 3.905 CV 1 ASSI { 17} (( segid "SAP " and resid 81 and name HA1 )) (( segid "SAP " and resid 81 and name HA2 )) 1.900 0.400 0.400 peak 17 spectrum 1 weight 0.10000E+01 volume 0.17096E-01 ppm1 3.798 ppm2 4.424 CV 1 ASSI { 18} (( segid "SAP " and resid 78 and name HD2 )) (( segid "SAP " and resid 78 and name HD1 )) 2.000 0.500 0.500 peak 18 spectrum 1 weight 0.10000E+01 volume 0.10064E-01 ppm1 3.628 ppm2 3.079 CV 1 ASSI { 20} (( segid "SAP " and resid 78 and name HG2 )) (( segid "SAP " and resid 78 and name HD1 )) 3.200 1.300 1.300 peak 20 spectrum 1 weight 0.10000E+01 volume 0.85309E-03 ppm1 3.627 ppm2 1.463 CV 1 ASSI { 21} (( segid "SAP " and resid 78 and name HG2 )) (( segid "SAP " and resid 78 and name HD2 )) 3.000 1.100 1.100 peak 21 spectrum 1 weight 0.10000E+01 volume 0.16429E-02 ppm1 3.081 ppm2 1.465 CV 1 ASSI { 22} (( segid "SAP " and resid 78 and name HG1 )) (( segid "SAP " and resid 78 and name HD1 )) 2.900 1.000 1.000 peak 22 spectrum 1 weight 0.10000E+01 volume 0.22628E-02 ppm1 3.628 ppm2 1.748 CV 1 OR { 22} (( segid "SAP " and resid 78 and name HB2 )) (( segid "SAP " and resid 78 and name HD1 )) ASSI { 23} (( segid "SAP " and resid 78 and name HG1 )) (( segid "SAP " and resid 78 and name HD2 )) 2.800 1.000 1.000 peak 23 spectrum 1 weight 0.10000E+01 volume 0.25127E-02 ppm1 3.080 ppm2 1.750 CV 1 OR { 23} (( segid "SAP " and resid 78 and name HB2 )) (( segid "SAP " and resid 78 and name HD2 )) ASSI { 24} (( segid "SAP " and resid 78 and name HB1 )) (( segid "SAP " and resid 78 and name HD1 )) 3.100 1.200 1.200 peak 24 spectrum 1 weight 0.10000E+01 volume 0.13796E-02 ppm1 3.629 ppm2 2.227 CV 1 ASSI { 25} (( segid "SAP " and resid 78 and name HB1 )) (( segid "SAP " and resid 78 and name HD2 )) 3.400 1.500 1.500 peak 25 spectrum 1 weight 0.10000E+01 volume 0.69983E-03 ppm1 3.079 ppm2 2.226 CV 1 ASSI { 26} ( segid "SAP " and resid 114 and name HD% ) (( segid "SAP " and resid 78 and name HD1 )) 3.700 1.700 1.700 peak 26 spectrum 1 weight 0.10000E+01 volume 0.32425E-03 ppm1 3.629 ppm2 6.295 CV 1 ASSI { 27} ( segid "SAP " and resid 114 and name HD% ) (( segid "SAP " and resid 78 and name HD2 )) 4.000 2.000 2.000 peak 27 spectrum 1 weight 0.10000E+01 volume 0.19828E-03 ppm1 3.078 ppm2 6.294 CV 1 ASSI { 30} ( segid "SAP " and resid 85 and name HD% ) ( segid "SAP " and resid 93 and name HD1%) 3.900 1.900 1.900 peak 30 spectrum 1 weight 0.10000E+01 volume 0.44322E-03 ppm1 0.875 ppm2 -1.031 CV 1 ASSI { 31} ( segid "SAP " and resid 85 and name HD% ) ( segid "SAP " and resid 119 and name HD1%) 3.800 1.800 1.800 peak 31 spectrum 1 weight 0.10000E+01 volume 0.49321E-03 ppm1 0.778 ppm2 -1.042 CV 1 ASSI { 33} ( segid "SAP " and resid 85 and name HE% ) ( segid "SAP " and resid 119 and name HD1%) 4.000 2.000 2.000 peak 33 spectrum 1 weight 0.10000E+01 volume 0.44988E-03 ppm1 0.779 ppm2 -0.935 CV 1 ASSI { 34} (( segid "SAP " and resid 85 and name HZ )) ( segid "SAP " and resid 93 and name HD1%) 3.300 1.400 1.400 peak 34 spectrum 1 weight 0.10000E+01 volume 0.92980E-03 ppm1 0.875 ppm2 -0.856 CV 1 ASSI { 35} ( segid "SAP " and resid 69 and name HD2%) ( segid "SAP " and resid 93 and name HD1%) 4.200 2.300 1.800 peak 35 spectrum 1 weight 0.10000E+01 volume 0.17896E-03 ppm1 0.872 ppm2 -0.121 CV 1 ASSI { 36} ( segid "SAP " and resid 69 and name HD2%) ( segid "SAP " and resid 119 and name HD1%) 5.100 3.200 0.900 peak 36 spectrum 1 weight 0.10000E+01 volume 0.72982E-04 ppm1 0.779 ppm2 -0.122 CV 1 ASSI { 37} ( segid "SAP " and resid 69 and name HD1%) ( segid "SAP " and resid 93 and name HD1%) 4.300 2.300 1.700 peak 37 spectrum 1 weight 0.10000E+01 volume 0.17829E-03 ppm1 0.873 ppm2 0.270 CV 1 ASSI { 39} ( segid "SAP " and resid 100 and name HG2%) ( segid "SAP " and resid 93 and name HD1%) 2.800 1.000 1.000 peak 39 spectrum 1 weight 0.10000E+01 volume 0.21561E-02 ppm1 0.872 ppm2 0.584 CV 1 ASSI { 40} ( segid "SAP " and resid 100 and name HG2%) ( segid "SAP " and resid 119 and name HD1%) 2.600 0.800 0.800 peak 40 spectrum 1 weight 0.10000E+01 volume 0.39324E-02 ppm1 0.778 ppm2 0.588 CV 1 ASSI { 41} (( segid "SAP " and resid 93 and name HG12)) ( segid "SAP " and resid 93 and name HD1%) 2.100 0.500 0.500 peak 41 spectrum 1 weight 0.10000E+01 volume 0.13430E-01 ppm1 0.875 ppm2 1.112 CV 1 ASSI { 42} (( segid "SAP " and resid 93 and name HG12)) ( segid "SAP " and resid 119 and name HD1%) 3.200 1.300 1.300 peak 42 spectrum 1 weight 0.10000E+01 volume 0.97975E-03 ppm1 0.777 ppm2 1.113 CV 1 ASSI { 43} (( segid "SAP " and resid 100 and name HB )) ( segid "SAP " and resid 93 and name HD1%) 3.100 1.200 1.200 peak 43 spectrum 1 weight 0.10000E+01 volume 0.12697E-02 ppm1 0.873 ppm2 1.468 CV 1 ASSI { 46} (( segid "SAP " and resid 93 and name HG11)) ( segid "SAP " and resid 119 and name HD1%) 3.400 1.500 1.500 peak 46 spectrum 1 weight 0.10000E+01 volume 0.74315E-03 ppm1 0.780 ppm2 1.660 CV 1 ASSI { 48} (( segid "SAP " and resid 119 and name HB )) ( segid "SAP " and resid 119 and name HD1%) 2.500 0.800 0.800 peak 48 spectrum 1 weight 0.10000E+01 volume 0.47988E-02 ppm1 0.780 ppm2 1.867 CV 1 ASSI { 52} (( segid "SAP " and resid 115 and name HB2 )) ( segid "SAP " and resid 119 and name HD1%) 3.900 1.900 1.900 peak 52 spectrum 1 weight 0.10000E+01 volume 0.66650E-03 ppm1 0.778 ppm2 2.684 CV 1 ASSI { 53} (( segid "SAP " and resid 119 and name HA )) ( segid "SAP " and resid 119 and name HD1%) 4.000 2.000 2.000 peak 53 spectrum 1 weight 0.10000E+01 volume 0.61985E-03 ppm1 0.779 ppm2 3.472 CV 1 ASSI { 56} (( segid "SAP " and resid 93 and name HA )) ( segid "SAP " and resid 93 and name HD1%) 4.000 2.000 2.000 peak 56 spectrum 1 weight 0.10000E+01 volume 0.67649E-03 ppm1 0.875 ppm2 3.924 CV 1 ASSI { 58} (( segid "SAP " and resid 115 and name HD2 )) (( segid "SAP " and resid 118 and name HB1 )) 3.900 1.900 1.900 peak 58 spectrum 1 weight 0.10000E+01 volume 0.34658E-03 ppm1 1.589 ppm2 -1.155 CV 1 ASSI { 62} (( segid "SAP " and resid 115 and name HA )) (( segid "SAP " and resid 118 and name HB2 )) 3.100 1.200 1.200 peak 62 spectrum 1 weight 0.10000E+01 volume 0.13363E-02 ppm1 1.282 ppm2 4.045 CV 1 ASSI { 66} (( segid "SAP " and resid 118 and name HB1 )) (( segid "SAP " and resid 118 and name HB2 )) 1.900 0.400 0.400 peak 66 spectrum 1 weight 0.10000E+01 volume 0.13929E-01 ppm1 1.282 ppm2 1.584 CV 1 ASSI { 68} (( segid "SAP " and resid 118 and name HG )) (( segid "SAP " and resid 118 and name HB2 )) 2.200 0.600 0.600 peak 68 spectrum 1 weight 0.10000E+01 volume 0.89642E-02 ppm1 1.282 ppm2 1.436 CV 1 ASSI { 70} ( segid "SAP " and resid 118 and name HD1%) (( segid "SAP " and resid 118 and name HB1 )) 2.300 0.700 0.700 peak 70 spectrum 1 weight 0.10000E+01 volume 0.91642E-02 ppm1 1.582 ppm2 0.828 CV 1 ASSI { 73} ( segid "SAP " and resid 69 and name HD2%) (( segid "SAP " and resid 69 and name HB2 )) 3.400 1.500 1.500 peak 73 spectrum 1 weight 0.10000E+01 volume 0.15463E-02 ppm1 0.688 ppm2 -0.117 CV 1 ASSI { 74} ( segid "SAP " and resid 69 and name HD1%) (( segid "SAP " and resid 69 and name HB2 )) 2.500 0.800 0.800 peak 74 spectrum 1 weight 0.10000E+01 volume 0.43323E-02 ppm1 0.675 ppm2 0.265 CV 1 ASSI { 76} (( segid "SAP " and resid 69 and name HB2 )) (( segid "SAP " and resid 69 and name HB1 )) 1.800 0.400 0.400 peak 76 spectrum 1 weight 0.10000E+01 volume 0.18362E-01 ppm1 1.558 ppm2 0.695 CV 1 ASSI { 78} (( segid "SAP " and resid 115 and name HB2 )) ( segid "SAP " and resid 111 and name HD1%) 3.500 1.500 1.500 peak 78 spectrum 1 weight 0.10000E+01 volume 0.65650E-03 ppm1 0.654 ppm2 2.683 CV 1 ASSI { 82} (( segid "SAP " and resid 109 and name HA )) (( segid "SAP " and resid 109 and name HB2 )) 3.200 1.300 1.300 peak 82 spectrum 1 weight 0.10000E+01 volume 0.13264E-02 ppm1 1.284 ppm2 5.038 CV 1 ASSI { 85} (( segid "SAP " and resid 85 and name HB1 )) (( segid "SAP " and resid 109 and name HB1 )) 3.200 1.300 1.300 peak 85 spectrum 1 weight 0.10000E+01 volume 0.66317E-03 ppm1 1.798 ppm2 3.008 CV 1 ASSI { 86} (( segid "SAP " and resid 85 and name HB1 )) (( segid "SAP " and resid 109 and name HB2 )) 5.000 3.100 1.000 peak 86 spectrum 1 weight 0.10000E+01 volume 0.28127E-03 ppm1 1.286 ppm2 3.000 CV 1 ASSI { 87} (( segid "SAP " and resid 109 and name HB2 )) (( segid "SAP " and resid 109 and name HB1 )) 1.900 0.400 0.400 peak 87 spectrum 1 weight 0.10000E+01 volume 0.16196E-01 ppm1 1.801 ppm2 1.284 CV 1 ASSI { 89} ( segid "SAP " and resid 109 and name HD2%) (( segid "SAP " and resid 109 and name HB1 )) 2.500 0.800 0.800 peak 89 spectrum 1 weight 0.10000E+01 volume 0.44655E-02 ppm1 1.801 ppm2 0.838 CV 1 OR { 89} ( segid "SAP " and resid 109 and name HD1%) (( segid "SAP " and resid 109 and name HB1 )) ASSI { 91} (( segid "SAP " and resid 102 and name HA )) (( segid "SAP " and resid 102 and name HB1 )) 3.200 1.300 1.300 peak 91 spectrum 1 weight 0.10000E+01 volume 0.11297E-02 ppm1 1.506 ppm2 3.789 CV 1 ASSI { 94} (( segid "SAP " and resid 102 and name HB2 )) (( segid "SAP " and resid 102 and name HB1 )) 1.900 0.400 0.400 peak 94 spectrum 1 weight 0.10000E+01 volume 0.18296E-01 ppm1 1.508 ppm2 0.888 CV 1 ASSI { 95} (( segid "SAP " and resid 102 and name HG )) (( segid "SAP " and resid 102 and name HB2 )) 2.500 0.800 0.800 peak 95 spectrum 1 weight 0.10000E+01 volume 0.53653E-02 ppm1 0.892 ppm2 1.053 CV 1 ASSI { 96} (( segid "SAP " and resid 102 and name HG )) (( segid "SAP " and resid 102 and name HB1 )) 2.500 0.800 0.800 peak 96 spectrum 1 weight 0.10000E+01 volume 0.46322E-02 ppm1 1.507 ppm2 1.051 CV 1 ASSI { 97} (( segid "SAP " and resid 66 and name HA )) (( segid "SAP " and resid 66 and name HB1 )) 3.100 1.200 1.200 peak 97 spectrum 1 weight 0.10000E+01 volume 0.12630E-02 ppm1 1.666 ppm2 4.604 CV 1 ASSI { 99} (( segid "SAP " and resid 66 and name HB2 )) (( segid "SAP " and resid 66 and name HB1 )) 1.700 0.300 0.500 peak 99 spectrum 1 weight 0.10000E+01 volume 0.35991E-01 ppm1 1.665 ppm2 1.531 CV 1 ASSI { 101} ( segid "SAP " and resid 66 and name HD2%) (( segid "SAP " and resid 66 and name HB1 )) 2.800 1.000 1.000 peak 101 spectrum 1 weight 0.10000E+01 volume 0.21928E-02 ppm1 1.667 ppm2 0.668 CV 1 ASSI { 102} ( segid "SAP " and resid 66 and name HD1%) (( segid "SAP " and resid 66 and name HB1 )) 2.700 0.900 0.900 peak 102 spectrum 1 weight 0.10000E+01 volume 0.37657E-02 ppm1 1.665 ppm2 0.877 CV 1 ASSI { 103} (( segid "SAP " and resid 70 and name HD2 )) (( segid "SAP " and resid 70 and name HD1 )) 1.900 0.400 0.400 peak 103 spectrum 1 weight 0.10000E+01 volume 0.16663E-01 ppm1 3.059 ppm2 2.829 CV 1 ASSI { 105} (( segid "SAP " and resid 103 and name HA )) (( segid "SAP " and resid 70 and name HD1 )) 3.900 1.900 1.900 peak 105 spectrum 1 weight 0.10000E+01 volume 0.33991E-03 ppm1 3.059 ppm2 4.527 CV 1 ASSI { 106} (( segid "SAP " and resid 103 and name HA )) (( segid "SAP " and resid 70 and name HD2 )) 4.300 2.300 1.700 peak 106 spectrum 1 weight 0.10000E+01 volume 0.22328E-03 ppm1 2.826 ppm2 4.515 CV 1 ASSI { 108} (( segid "SAP " and resid 70 and name HG2 )) (( segid "SAP " and resid 70 and name HD1 )) 3.200 1.300 1.300 peak 108 spectrum 1 weight 0.10000E+01 volume 0.11997E-02 ppm1 3.062 ppm2 1.116 CV 1 ASSI { 109} (( segid "SAP " and resid 70 and name HG2 )) (( segid "SAP " and resid 70 and name HD2 )) 3.000 1.200 1.200 peak 109 spectrum 1 weight 0.10000E+01 volume 0.11264E-02 ppm1 2.830 ppm2 1.117 CV 1 ASSI { 110} (( segid "SAP " and resid 70 and name HB2 )) (( segid "SAP " and resid 70 and name HD1 )) 3.400 1.500 1.500 peak 110 spectrum 1 weight 0.10000E+01 volume 0.68649E-03 ppm1 3.059 ppm2 1.237 CV 1 ASSI { 111} (( segid "SAP " and resid 70 and name HB2 )) (( segid "SAP " and resid 70 and name HD2 )) 3.400 1.400 1.400 peak 111 spectrum 1 weight 0.10000E+01 volume 0.90981E-03 ppm1 2.829 ppm2 1.235 CV 1 ASSI { 112} (( segid "SAP " and resid 70 and name HG1 )) (( segid "SAP " and resid 70 and name HD1 )) 2.800 1.000 1.000 peak 112 spectrum 1 weight 0.10000E+01 volume 0.18296E-02 ppm1 3.061 ppm2 1.322 CV 1 ASSI { 113} (( segid "SAP " and resid 70 and name HG1 )) (( segid "SAP " and resid 70 and name HD2 )) 3.100 1.200 1.200 peak 113 spectrum 1 weight 0.10000E+01 volume 0.14230E-02 ppm1 2.827 ppm2 1.321 CV 1 ASSI { 114} (( segid "SAP " and resid 70 and name HB1 )) (( segid "SAP " and resid 70 and name HD1 )) 3.200 1.300 1.300 peak 114 spectrum 1 weight 0.10000E+01 volume 0.13630E-02 ppm1 3.060 ppm2 1.392 CV 1 ASSI { 115} (( segid "SAP " and resid 70 and name HB1 )) (( segid "SAP " and resid 70 and name HD2 )) 3.200 1.300 1.300 peak 115 spectrum 1 weight 0.10000E+01 volume 0.10964E-02 ppm1 2.828 ppm2 1.399 CV 1 ASSI { 118} (( segid "SAP " and resid 75 and name HB2 )) (( segid "SAP " and resid 75 and name HD1 )) 3.300 1.300 1.300 peak 118 spectrum 1 weight 0.10000E+01 volume 0.82648E-03 ppm1 3.277 ppm2 1.632 CV 1 ASSI { 119} (( segid "SAP " and resid 75 and name HB2 )) (( segid "SAP " and resid 75 and name HD2 )) 3.100 1.200 1.200 peak 119 spectrum 1 weight 0.10000E+01 volume 0.16029E-02 ppm1 3.184 ppm2 1.633 CV 1 ASSI { 120} (( segid "SAP " and resid 75 and name HG1 )) (( segid "SAP " and resid 75 and name HD1 )) 2.700 0.900 0.900 peak 120 spectrum 1 weight 0.10000E+01 volume 0.31358E-02 ppm1 3.275 ppm2 1.782 CV 1 OR { 120} (( segid "SAP " and resid 75 and name HG2 )) (( segid "SAP " and resid 75 and name HD1 )) ASSI { 121} (( segid "SAP " and resid 75 and name HG1 )) (( segid "SAP " and resid 75 and name HD2 )) 2.500 0.800 0.800 peak 121 spectrum 1 weight 0.10000E+01 volume 0.47322E-02 ppm1 3.187 ppm2 1.783 CV 1 OR { 121} (( segid "SAP " and resid 75 and name HG2 )) (( segid "SAP " and resid 75 and name HD2 )) ASSI { 122} (( segid "SAP " and resid 103 and name HB2 )) (( segid "SAP " and resid 75 and name HD1 )) 4.300 2.300 1.700 peak 122 spectrum 1 weight 0.10000E+01 volume 0.12630E-03 ppm1 3.283 ppm2 2.067 CV 1 ASSI { 124} (( segid "SAP " and resid 75 and name HD2 )) (( segid "SAP " and resid 75 and name HD1 )) 1.500 0.300 0.700 peak 124 spectrum 1 weight 0.10000E+01 volume 0.67316E-01 ppm1 3.277 ppm2 3.191 CV 1 ASSI { 128} ( segid "SAP " and resid 106 and name HB% ) (( segid "SAP " and resid 103 and name HB1 )) 3.100 1.200 1.200 peak 128 spectrum 1 weight 0.10000E+01 volume 0.11231E-02 ppm1 2.817 ppm2 1.312 CV 1 ASSI { 130} (( segid "SAP " and resid 103 and name HB2 )) (( segid "SAP " and resid 103 and name HB1 )) 2.000 0.500 0.500 peak 130 spectrum 1 weight 0.10000E+01 volume 0.12097E-01 ppm1 2.822 ppm2 2.077 CV 1 ASSI { 132} (( segid "SAP " and resid 103 and name HA )) (( segid "SAP " and resid 103 and name HB2 )) 3.000 1.100 1.100 peak 132 spectrum 1 weight 0.10000E+01 volume 0.13663E-02 ppm1 2.083 ppm2 4.526 CV 1 ASSI { 133} ( segid "SAP " and resid 69 and name HD1%) (( segid "SAP " and resid 111 and name HB )) 3.100 1.200 1.200 peak 133 spectrum 1 weight 0.10000E+01 volume 0.11431E-02 ppm1 2.054 ppm2 0.263 CV 1 ASSI { 134} ( segid "SAP " and resid 111 and name HD1%) (( segid "SAP " and resid 111 and name HB )) 2.800 1.000 1.000 peak 134 spectrum 1 weight 0.10000E+01 volume 0.24261E-02 ppm1 2.054 ppm2 0.652 CV 1 ASSI { 135} ( segid "SAP " and resid 111 and name HG2%) (( segid "SAP " and resid 111 and name HB )) 2.500 0.800 0.800 peak 135 spectrum 1 weight 0.10000E+01 volume 0.47988E-02 ppm1 2.055 ppm2 0.925 CV 1 OR { 135} (( segid "SAP " and resid 111 and name HG12)) (( segid "SAP " and resid 111 and name HB )) ASSI { 137} (( segid "SAP " and resid 115 and name HB2 )) (( segid "SAP " and resid 111 and name HB )) 3.200 1.300 1.300 peak 137 spectrum 1 weight 0.10000E+01 volume 0.89642E-03 ppm1 2.054 ppm2 2.686 CV 1 ASSI { 139} (( segid "SAP " and resid 111 and name HA )) (( segid "SAP " and resid 111 and name HB )) 2.500 0.800 0.800 peak 139 spectrum 1 weight 0.10000E+01 volume 0.38990E-02 ppm1 2.053 ppm2 5.960 CV 1 ASSI { 140} (( segid "SAP " and resid 89 and name HG12)) ( segid "SAP " and resid 89 and name HD1%) 2.500 0.800 0.800 peak 140 spectrum 1 weight 0.10000E+01 volume 0.41323E-02 ppm1 0.826 ppm2 1.235 CV 1 ASSI { 141} (( segid "SAP " and resid 89 and name HG11)) ( segid "SAP " and resid 89 and name HD1%) 2.600 0.800 0.800 peak 141 spectrum 1 weight 0.10000E+01 volume 0.35991E-02 ppm1 0.826 ppm2 1.545 CV 1 ASSI { 142} (( segid "SAP " and resid 89 and name HB )) ( segid "SAP " and resid 89 and name HD1%) 3.000 1.100 1.100 peak 142 spectrum 1 weight 0.10000E+01 volume 0.16396E-02 ppm1 0.826 ppm2 1.742 CV 1 ASSI { 144} (( segid "SAP " and resid 120 and name HG2 )) ( segid "SAP " and resid 89 and name HD1%) 4.000 2.000 2.000 peak 144 spectrum 1 weight 0.10000E+01 volume 0.19362E-03 ppm1 0.829 ppm2 2.361 CV 1 ASSI { 145} (( segid "SAP " and resid 120 and name HG1 )) ( segid "SAP " and resid 89 and name HD1%) 4.000 2.000 2.000 peak 145 spectrum 1 weight 0.10000E+01 volume 0.19828E-03 ppm1 0.827 ppm2 2.491 CV 1 ASSI { 146} (( segid "SAP " and resid 88 and name HD2 )) ( segid "SAP " and resid 89 and name HD1%) 4.400 2.500 1.600 peak 146 spectrum 1 weight 0.10000E+01 volume 0.16362E-03 ppm1 0.837 ppm2 3.143 CV 1 OR { 146} (( segid "SAP " and resid 88 and name HD1 )) ( segid "SAP " and resid 89 and name HD1%) ASSI { 147} (( segid "SAP " and resid 89 and name HA )) ( segid "SAP " and resid 89 and name HD1%) 3.100 1.200 1.200 peak 147 spectrum 1 weight 0.10000E+01 volume 0.18262E-02 ppm1 0.827 ppm2 3.687 CV 1 ASSI { 148} (( segid "SAP " and resid 86 and name HB2 )) ( segid "SAP " and resid 89 and name HD1%) 4.100 2.100 1.900 peak 148 spectrum 1 weight 0.10000E+01 volume 0.28526E-03 ppm1 0.828 ppm2 3.772 CV 1 ASSI { 152} (( segid "SAP " and resid 116 and name HB2 )) ( segid "SAP " and resid 111 and name HD1%) 2.700 0.900 0.900 peak 152 spectrum 1 weight 0.10000E+01 volume 0.21261E-02 ppm1 0.653 ppm2 1.891 CV 1 ASSI { 154} ( segid "SAP " and resid 85 and name HD% ) ( segid "SAP " and resid 111 and name HD1%) 3.900 1.900 1.900 peak 154 spectrum 1 weight 0.10000E+01 volume 0.29926E-03 ppm1 0.652 ppm2 -1.033 CV 1 ASSI { 156} (( segid "SAP " and resid 107 and name HB1 )) (( segid "SAP " and resid 107 and name HD2 )) 3.100 1.200 1.200 peak 156 spectrum 1 weight 0.10000E+01 volume 0.13030E-02 ppm1 3.218 ppm2 2.149 CV 1 OR { 156} (( segid "SAP " and resid 107 and name HB1 )) (( segid "SAP " and resid 107 and name HD1 )) ASSI { 157} (( segid "SAP " and resid 107 and name HB2 )) (( segid "SAP " and resid 107 and name HD2 )) 3.300 1.400 1.400 peak 157 spectrum 1 weight 0.10000E+01 volume 0.10197E-02 ppm1 3.217 ppm2 1.920 CV 1 OR { 157} (( segid "SAP " and resid 107 and name HB2 )) (( segid "SAP " and resid 107 and name HD1 )) ASSI { 158} (( segid "SAP " and resid 107 and name HG1 )) (( segid "SAP " and resid 107 and name HD1 )) 2.400 0.700 0.700 peak 158 spectrum 1 weight 0.10000E+01 volume 0.64650E-02 ppm1 3.217 ppm2 1.709 CV 1 OR { 158} (( segid "SAP " and resid 107 and name HG1 )) (( segid "SAP " and resid 107 and name HD2 )) ASSI { 169} (( segid "SAP " and resid 123 and name HA )) (( segid "SAP " and resid 123 and name HD1 )) 4.500 2.500 1.500 peak 169 spectrum 1 weight 0.10000E+01 volume 0.25660E-03 ppm1 3.136 ppm2 4.189 CV 1 OR { 169} (( segid "SAP " and resid 123 and name HA )) (( segid "SAP " and resid 123 and name HD2 )) ASSI { 171} ( segid "SAP " and resid 122 and name HG1%) (( segid "SAP " and resid 123 and name HD1 )) 3.900 1.900 1.900 peak 171 spectrum 1 weight 0.10000E+01 volume 0.36657E-03 ppm1 3.177 ppm2 0.917 CV 1 OR { 171} ( segid "SAP " and resid 122 and name HG1%) (( segid "SAP " and resid 123 and name HD2 )) ASSI { 174} (( segid "SAP " and resid 88 and name HA )) (( segid "SAP " and resid 88 and name HD1 )) 3.600 1.700 1.700 peak 174 spectrum 1 weight 0.10000E+01 volume 0.84313E-03 ppm1 3.147 ppm2 3.987 CV 1 OR { 174} (( segid "SAP " and resid 88 and name HA )) (( segid "SAP " and resid 88 and name HD2 )) ASSI { 177} (( segid "SAP " and resid 70 and name HD2 )) (( segid "SAP " and resid 73 and name HA2 )) 3.800 1.800 1.800 peak 177 spectrum 1 weight 0.10000E+01 volume 0.37324E-03 ppm1 3.523 ppm2 2.830 CV 1 ASSI { 178} (( segid "SAP " and resid 113 and name HA )) (( segid "SAP " and resid 116 and name HE1 )) 3.400 1.400 1.400 peak 178 spectrum 1 weight 0.10000E+01 volume 0.80980E-03 ppm1 2.904 ppm2 4.507 CV 1 OR { 178} (( segid "SAP " and resid 113 and name HA )) (( segid "SAP " and resid 116 and name HE2 )) ASSI { 179} (( segid "SAP " and resid 116 and name HB1 )) (( segid "SAP " and resid 116 and name HE1 )) 2.600 0.800 0.800 peak 179 spectrum 1 weight 0.10000E+01 volume 0.34658E-02 ppm1 2.900 ppm2 2.079 CV 1 OR { 179} (( segid "SAP " and resid 116 and name HB1 )) (( segid "SAP " and resid 116 and name HE2 )) ASSI { 181} (( segid "SAP " and resid 116 and name HG2 )) (( segid "SAP " and resid 116 and name HE2 )) 3.300 1.400 1.400 peak 181 spectrum 1 weight 0.10000E+01 volume 0.86647E-03 ppm1 2.906 ppm2 1.161 CV 1 OR { 181} (( segid "SAP " and resid 116 and name HG2 )) (( segid "SAP " and resid 116 and name HE1 )) ASSI { 185} ( segid "SAP " and resid 100 and name HD1%) (( segid "SAP " and resid 100 and name HB )) 2.900 1.000 1.000 peak 185 spectrum 1 weight 0.10000E+01 volume 0.19395E-02 ppm1 1.471 ppm2 0.673 CV 1 ASSI { 188} (( segid "SAP " and resid 93 and name HG12)) (( segid "SAP " and resid 100 and name HB )) 3.800 1.800 1.800 peak 188 spectrum 1 weight 0.10000E+01 volume 0.34325E-03 ppm1 1.469 ppm2 1.121 CV 1 ASSI { 189} (( segid "SAP " and resid 100 and name HA )) (( segid "SAP " and resid 100 and name HB )) 3.300 1.300 1.300 peak 189 spectrum 1 weight 0.10000E+01 volume 0.92311E-03 ppm1 1.470 ppm2 5.019 CV 1 ASSI { 192} (( segid "SAP " and resid 72 and name HA )) (( segid "SAP " and resid 72 and name HB2 )) 3.000 1.100 1.100 peak 192 spectrum 1 weight 0.10000E+01 volume 0.16796E-02 ppm1 2.596 ppm2 4.273 CV 1 ASSI { 193} (( segid "SAP " and resid 72 and name HB1 )) (( segid "SAP " and resid 72 and name HB2 )) 1.800 0.400 0.400 peak 193 spectrum 1 weight 0.10000E+01 volume 0.22128E-01 ppm1 2.595 ppm2 3.033 CV 1 ASSI { 195} (( segid "SAP " and resid 71 and name HG1 )) (( segid "SAP " and resid 72 and name HB2 )) 3.200 1.300 1.300 peak 195 spectrum 1 weight 0.10000E+01 volume 0.10530E-02 ppm1 2.598 ppm2 2.120 CV 1 OR { 195} (( segid "SAP " and resid 71 and name HG2 )) (( segid "SAP " and resid 72 and name HB2 )) ASSI { 198} (( segid "SAP " and resid 82 and name HA )) (( segid "SAP " and resid 82 and name HB2 )) 2.800 1.000 1.000 peak 198 spectrum 1 weight 0.10000E+01 volume 0.24394E-02 ppm1 2.722 ppm2 4.644 CV 1 ASSI { 199} (( segid "SAP " and resid 82 and name HA )) (( segid "SAP " and resid 82 and name HB1 )) 2.800 1.000 1.000 peak 199 spectrum 1 weight 0.10000E+01 volume 0.24894E-02 ppm1 2.803 ppm2 4.643 CV 1 ASSI { 200} (( segid "SAP " and resid 82 and name HB2 )) (( segid "SAP " and resid 82 and name HB1 )) 1.400 0.300 0.800 peak 200 spectrum 1 weight 0.10000E+01 volume 0.89977E-01 ppm1 2.803 ppm2 2.719 CV 1 ASSI { 202} (( segid "SAP " and resid 124 and name HA )) (( segid "SAP " and resid 124 and name HB1 )) 2.800 1.000 1.000 peak 202 spectrum 1 weight 0.10000E+01 volume 0.23960E-02 ppm1 2.823 ppm2 4.652 CV 1 ASSI { 203} (( segid "SAP " and resid 124 and name HA )) (( segid "SAP " and resid 124 and name HB2 )) 2.700 0.900 0.900 peak 203 spectrum 1 weight 0.10000E+01 volume 0.27393E-02 ppm1 2.743 ppm2 4.650 CV 1 ASSI { 205} (( segid "SAP " and resid 124 and name HB2 )) (( segid "SAP " and resid 124 and name HB1 )) 1.400 0.200 0.800 peak 205 spectrum 1 weight 0.10000E+01 volume 0.12697E+00 ppm1 2.825 ppm2 2.742 CV 1 ASSI { 207} (( segid "SAP " and resid 110 and name HB2 )) (( segid "SAP " and resid 110 and name HB1 )) 2.000 0.500 0.500 peak 207 spectrum 1 weight 0.10000E+01 volume 0.11397E-01 ppm1 3.203 ppm2 2.840 CV 1 ASSI { 209} (( segid "SAP " and resid 110 and name HA )) (( segid "SAP " and resid 110 and name HB1 )) 2.800 1.000 1.000 peak 209 spectrum 1 weight 0.10000E+01 volume 0.18529E-02 ppm1 3.202 ppm2 5.022 CV 1 ASSI { 211} ( segid "SAP " and resid 80 and name HB% ) (( segid "SAP " and resid 110 and name HB1 )) 2.600 0.900 0.900 peak 211 spectrum 1 weight 0.10000E+01 volume 0.28693E-02 ppm1 3.203 ppm2 1.093 CV 1 ASSI { 212} ( segid "SAP " and resid 80 and name HB% ) (( segid "SAP " and resid 110 and name HB2 )) 3.000 1.100 1.100 peak 212 spectrum 1 weight 0.10000E+01 volume 0.20928E-02 ppm1 2.840 ppm2 1.093 CV 1 ASSI { 215} ( segid "SAP " and resid 110 and name HD% ) (( segid "SAP " and resid 110 and name HB1 )) 3.100 1.200 1.200 peak 215 spectrum 1 weight 0.10000E+01 volume 0.10930E-02 ppm1 3.204 ppm2 -0.979 CV 1 ASSI { 216} ( segid "SAP " and resid 110 and name HD% ) (( segid "SAP " and resid 110 and name HB2 )) 3.000 1.100 1.100 peak 216 spectrum 1 weight 0.10000E+01 volume 0.13363E-02 ppm1 2.839 ppm2 -0.976 CV 1 ASSI { 217} (( segid "SAP " and resid 85 and name HB2 )) (( segid "SAP " and resid 85 and name HB1 )) 1.900 0.400 0.400 peak 217 spectrum 1 weight 0.10000E+01 volume 0.15163E-01 ppm1 3.005 ppm2 2.636 CV 1 ASSI { 220} (( segid "SAP " and resid 85 and name HA )) (( segid "SAP " and resid 85 and name HB2 )) 2.700 0.900 0.900 peak 220 spectrum 1 weight 0.10000E+01 volume 0.26593E-02 ppm1 2.639 ppm2 4.321 CV 1 ASSI { 222} (( segid "SAP " and resid 109 and name HB1 )) (( segid "SAP " and resid 85 and name HB2 )) 3.800 1.800 1.800 peak 222 spectrum 1 weight 0.10000E+01 volume 0.46988E-03 ppm1 2.638 ppm2 1.803 CV 1 ASSI { 223} ( segid "SAP " and resid 102 and name HD2%) (( segid "SAP " and resid 85 and name HB1 )) 4.000 2.000 2.000 peak 223 spectrum 1 weight 0.10000E+01 volume 0.31625E-03 ppm1 3.007 ppm2 0.650 CV 1 OR { 223} ( segid "SAP " and resid 102 and name HD1%) (( segid "SAP " and resid 85 and name HB1 )) ASSI { 225} ( segid "SAP " and resid 109 and name HD2%) (( segid "SAP " and resid 85 and name HB1 )) 3.000 1.100 1.100 peak 225 spectrum 1 weight 0.10000E+01 volume 0.15429E-02 ppm1 3.008 ppm2 0.844 CV 1 OR { 225} ( segid "SAP " and resid 109 and name HD1%) (( segid "SAP " and resid 85 and name HB1 )) ASSI { 226} ( segid "SAP " and resid 109 and name HD2%) (( segid "SAP " and resid 85 and name HB2 )) 3.600 1.600 1.600 peak 226 spectrum 1 weight 0.10000E+01 volume 0.11064E-02 ppm1 2.637 ppm2 0.847 CV 1 OR { 226} ( segid "SAP " and resid 109 and name HD1%) (( segid "SAP " and resid 85 and name HB2 )) ASSI { 227} ( segid "SAP " and resid 111 and name HG2%) (( segid "SAP " and resid 85 and name HB1 )) 3.100 1.200 1.200 peak 227 spectrum 1 weight 0.10000E+01 volume 0.88312E-03 ppm1 3.008 ppm2 0.926 CV 1 OR { 227} (( segid "SAP " and resid 111 and name HG12)) (( segid "SAP " and resid 85 and name HB1 )) ASSI { 228} ( segid "SAP " and resid 111 and name HG2%) (( segid "SAP " and resid 85 and name HB2 )) 2.700 0.900 0.900 peak 228 spectrum 1 weight 0.10000E+01 volume 0.23627E-02 ppm1 2.636 ppm2 0.928 CV 1 ASSI { 230} ( segid "SAP " and resid 85 and name HD% ) (( segid "SAP " and resid 85 and name HB2 )) 2.900 1.000 1.000 peak 230 spectrum 1 weight 0.10000E+01 volume 0.20028E-02 ppm1 2.639 ppm2 -1.041 CV 1 ASSI { 231} (( segid "SAP " and resid 62 and name HA )) (( segid "SAP " and resid 62 and name HB1 )) 2.900 1.000 1.000 peak 231 spectrum 1 weight 0.10000E+01 volume 0.22128E-02 ppm1 2.571 ppm2 4.609 CV 1 OR { 231} (( segid "SAP " and resid 62 and name HA )) (( segid "SAP " and resid 62 and name HB2 )) ASSI { 234} (( segid "SAP " and resid 93 and name HA )) (( segid "SAP " and resid 93 and name HB )) 2.900 1.000 1.000 peak 234 spectrum 1 weight 0.10000E+01 volume 0.22594E-02 ppm1 2.058 ppm2 3.918 CV 1 ASSI { 236} ( segid "SAP " and resid 93 and name HD1%) (( segid "SAP " and resid 93 and name HB )) 2.600 0.800 0.800 peak 236 spectrum 1 weight 0.10000E+01 volume 0.37657E-02 ppm1 2.056 ppm2 0.880 CV 1 ASSI { 237} ( segid "SAP " and resid 93 and name HG2%) (( segid "SAP " and resid 93 and name HB )) 2.500 0.800 0.800 peak 237 spectrum 1 weight 0.10000E+01 volume 0.46322E-02 ppm1 2.058 ppm2 1.023 CV 1 ASSI { 238} (( segid "SAP " and resid 93 and name HG12)) (( segid "SAP " and resid 93 and name HB )) 3.300 1.300 1.300 peak 238 spectrum 1 weight 0.10000E+01 volume 0.12130E-02 ppm1 2.054 ppm2 1.120 CV 1 ASSI { 241} ( segid "SAP " and resid 119 and name HG2%) (( segid "SAP " and resid 119 and name HB )) 2.300 0.700 0.700 peak 241 spectrum 1 weight 0.10000E+01 volume 0.75647E-02 ppm1 1.867 ppm2 0.869 CV 1 OR { 241} (( segid "SAP " and resid 119 and name HG12)) (( segid "SAP " and resid 119 and name HB )) ASSI { 243} (( segid "SAP " and resid 116 and name HA )) (( segid "SAP " and resid 119 and name HB )) 3.400 1.400 1.400 peak 243 spectrum 1 weight 0.10000E+01 volume 0.75647E-03 ppm1 1.864 ppm2 3.716 CV 1 ASSI { 244} (( segid "SAP " and resid 117 and name HA )) (( segid "SAP " and resid 117 and name HB1 )) 3.000 1.100 1.100 peak 244 spectrum 1 weight 0.10000E+01 volume 0.20961E-02 ppm1 2.739 ppm2 4.343 CV 1 ASSI { 248} (( segid "SAP " and resid 117 and name HB2 )) (( segid "SAP " and resid 117 and name HB1 )) 1.600 0.300 0.600 peak 248 spectrum 1 weight 0.10000E+01 volume 0.50987E-01 ppm1 2.738 ppm2 2.646 CV 1 ASSI { 250} (( segid "SAP " and resid 114 and name HB2 )) (( segid "SAP " and resid 114 and name HB1 )) 2.000 0.500 0.500 peak 250 spectrum 1 weight 0.10000E+01 volume 0.10664E-01 ppm1 3.545 ppm2 2.970 CV 1 ASSI { 256} ( segid "SAP " and resid 89 and name HG2%) (( segid "SAP " and resid 89 and name HB )) 2.400 0.700 0.700 peak 256 spectrum 1 weight 0.10000E+01 volume 0.56319E-02 ppm1 1.741 ppm2 0.815 CV 1 OR { 256} ( segid "SAP " and resid 89 and name HD1%) (( segid "SAP " and resid 89 and name HB )) ASSI { 257} (( segid "SAP " and resid 89 and name HG12)) (( segid "SAP " and resid 89 and name HB )) 3.000 1.100 1.100 peak 257 spectrum 1 weight 0.10000E+01 volume 0.16929E-02 ppm1 1.743 ppm2 1.244 CV 1 ASSI { 258} (( segid "SAP " and resid 89 and name HG11)) (( segid "SAP " and resid 89 and name HB )) 2.600 0.800 0.800 peak 258 spectrum 1 weight 0.10000E+01 volume 0.33991E-02 ppm1 1.742 ppm2 1.549 CV 1 ASSI { 261} (( segid "SAP " and resid 109 and name HA )) (( segid "SAP " and resid 85 and name HB1 )) 4.500 2.500 1.500 peak 261 spectrum 1 weight 0.10000E+01 volume 0.20295E-03 ppm1 3.002 ppm2 5.033 CV 1 ASSI { 262} (( segid "SAP " and resid 109 and name HA )) (( segid "SAP " and resid 85 and name HB2 )) 4.500 2.500 1.500 peak 262 spectrum 1 weight 0.10000E+01 volume 0.15429E-03 ppm1 2.636 ppm2 5.029 CV 1 ASSI { 263} (( segid "SAP " and resid 101 and name HG1 )) (( segid "SAP " and resid 101 and name HG2 )) 1.900 0.500 0.500 peak 263 spectrum 1 weight 0.10000E+01 volume 0.15496E-01 ppm1 1.891 ppm2 2.081 CV 1 ASSI { 266} (( segid "SAP " and resid 101 and name HA )) (( segid "SAP " and resid 101 and name HG2 )) 4.000 2.000 2.000 peak 266 spectrum 1 weight 0.10000E+01 volume 0.30426E-03 ppm1 1.890 ppm2 4.618 CV 1 ASSI { 267} (( segid "SAP " and resid 84 and name HA )) (( segid "SAP " and resid 84 and name HB2 )) 2.600 0.900 0.900 peak 267 spectrum 1 weight 0.10000E+01 volume 0.35658E-02 ppm1 3.443 ppm2 5.307 CV 1 OR { 267} (( segid "SAP " and resid 84 and name HA )) (( segid "SAP " and resid 84 and name HB1 )) ASSI { 268} (( segid "SAP " and resid 110 and name HA )) (( segid "SAP " and resid 84 and name HB2 )) 3.900 1.900 1.900 peak 268 spectrum 1 weight 0.10000E+01 volume 0.38657E-03 ppm1 3.446 ppm2 5.021 CV 1 OR { 268} (( segid "SAP " and resid 110 and name HA )) (( segid "SAP " and resid 84 and name HB1 )) ASSI { 269} (( segid "SAP " and resid 109 and name HB1 )) (( segid "SAP " and resid 84 and name HB2 )) 3.200 1.300 1.300 peak 269 spectrum 1 weight 0.10000E+01 volume 0.99640E-03 ppm1 3.441 ppm2 1.802 CV 1 OR { 269} (( segid "SAP " and resid 109 and name HB1 )) (( segid "SAP " and resid 84 and name HB1 )) ASSI { 270} (( segid "SAP " and resid 109 and name HB2 )) (( segid "SAP " and resid 84 and name HB2 )) 3.200 1.300 1.300 peak 270 spectrum 1 weight 0.10000E+01 volume 0.91642E-03 ppm1 3.438 ppm2 1.282 CV 1 OR { 270} (( segid "SAP " and resid 109 and name HB2 )) (( segid "SAP " and resid 84 and name HB1 )) ASSI { 272} (( segid "SAP " and resid 86 and name HB2 )) (( segid "SAP " and resid 86 and name HB1 )) 1.900 0.500 0.500 peak 272 spectrum 1 weight 0.10000E+01 volume 0.15929E-01 ppm1 4.140 ppm2 3.782 CV 1 ASSI { 274} (( segid "SAP " and resid 86 and name HA )) (( segid "SAP " and resid 86 and name HB2 )) 2.700 0.900 0.900 peak 274 spectrum 1 weight 0.10000E+01 volume 0.31225E-02 ppm1 3.780 ppm2 4.435 CV 1 ASSI { 275} (( segid "SAP " and resid 86 and name HA )) (( segid "SAP " and resid 86 and name HB1 )) 2.700 0.900 0.900 peak 275 spectrum 1 weight 0.10000E+01 volume 0.34991E-02 ppm1 4.140 ppm2 4.435 CV 1 ASSI { 279} (( segid "SAP " and resid 71 and name HB2 )) (( segid "SAP " and resid 71 and name HG2 )) 2.400 0.700 0.700 peak 279 spectrum 1 weight 0.10000E+01 volume 0.59319E-02 ppm1 2.122 ppm2 1.605 CV 1 OR { 279} (( segid "SAP " and resid 71 and name HB2 )) (( segid "SAP " and resid 71 and name HG1 )) ASSI { 280} ( segid "SAP " and resid 100 and name HD1%) (( segid "SAP " and resid 71 and name HG2 )) 3.900 1.900 1.900 peak 280 spectrum 1 weight 0.10000E+01 volume 0.38990E-03 ppm1 2.123 ppm2 0.672 CV 1 OR { 280} ( segid "SAP " and resid 100 and name HD1%) (( segid "SAP " and resid 71 and name HG1 )) ASSI { 282} (( segid "SAP " and resid 71 and name HA )) (( segid "SAP " and resid 71 and name HG2 )) 2.800 1.000 1.000 peak 282 spectrum 1 weight 0.10000E+01 volume 0.25327E-02 ppm1 2.124 ppm2 5.096 CV 1 OR { 282} (( segid "SAP " and resid 71 and name HA )) (( segid "SAP " and resid 71 and name HG1 )) ASSI { 284} (( segid "SAP " and resid 74 and name HB2 )) (( segid "SAP " and resid 74 and name HG2 )) 2.700 0.900 0.900 peak 284 spectrum 1 weight 0.10000E+01 volume 0.33991E-02 ppm1 2.163 ppm2 1.877 CV 1 ASSI { 285} (( segid "SAP " and resid 74 and name HB1 )) (( segid "SAP " and resid 74 and name HG1 )) 2.300 0.700 0.700 peak 285 spectrum 1 weight 0.10000E+01 volume 0.78647E-02 ppm1 2.281 ppm2 2.027 CV 1 ASSI { 286} (( segid "SAP " and resid 74 and name HB1 )) (( segid "SAP " and resid 74 and name HG2 )) 1.900 1.900 4.100 peak 286 spectrum 1 weight 0.10000E+01 volume 0.27493E-01 ppm1 2.159 ppm2 2.027 CV 1 ASSI { 287} (( segid "SAP " and resid 74 and name HG2 )) (( segid "SAP " and resid 74 and name HG1 )) 1.600 0.300 0.600 peak 287 spectrum 1 weight 0.10000E+01 volume 0.46655E-01 ppm1 2.283 ppm2 2.161 CV 1 ASSI { 289} (( segid "SAP " and resid 74 and name HA )) (( segid "SAP " and resid 74 and name HG1 )) 3.600 1.600 1.600 peak 289 spectrum 1 weight 0.10000E+01 volume 0.62318E-03 ppm1 2.279 ppm2 4.641 CV 1 ASSI { 291} ( segid "SAP " and resid 119 and name HG2%) (( segid "SAP " and resid 119 and name HA )) 2.200 0.600 0.600 peak 291 spectrum 1 weight 0.10000E+01 volume 0.88646E-02 ppm1 3.469 ppm2 0.872 CV 1 OR { 291} (( segid "SAP " and resid 119 and name HG12)) (( segid "SAP " and resid 119 and name HA )) ASSI { 293} (( segid "SAP " and resid 118 and name HB1 )) (( segid "SAP " and resid 119 and name HA )) 3.700 1.700 1.700 peak 293 spectrum 1 weight 0.10000E+01 volume 0.49654E-03 ppm1 3.469 ppm2 1.612 CV 1 ASSI { 294} (( segid "SAP " and resid 119 and name HG11)) (( segid "SAP " and resid 119 and name HA )) 2.700 0.900 0.900 peak 294 spectrum 1 weight 0.10000E+01 volume 0.34991E-02 ppm1 3.470 ppm2 1.796 CV 1 ASSI { 295} (( segid "SAP " and resid 119 and name HB )) (( segid "SAP " and resid 119 and name HA )) 2.800 1.000 1.000 peak 295 spectrum 1 weight 0.10000E+01 volume 0.23760E-02 ppm1 3.470 ppm2 1.860 CV 1 ASSI { 296} (( segid "SAP " and resid 122 and name HB )) (( segid "SAP " and resid 119 and name HA )) 3.700 1.700 1.700 peak 296 spectrum 1 weight 0.10000E+01 volume 0.54987E-03 ppm1 3.468 ppm2 2.149 CV 1 ASSI { 299} (( segid "SAP " and resid 101 and name HG1 )) (( segid "SAP " and resid 101 and name HB1 )) 2.600 0.800 0.800 peak 299 spectrum 1 weight 0.10000E+01 volume 0.54653E-02 ppm1 1.929 ppm2 2.076 CV 1 ASSI { 300} (( segid "SAP " and resid 101 and name HG1 )) (( segid "SAP " and resid 101 and name HB2 )) 2.900 1.000 1.000 peak 300 spectrum 1 weight 0.10000E+01 volume 0.17029E-02 ppm1 1.777 ppm2 2.069 CV 1 ASSI { 301} (( segid "SAP " and resid 101 and name HB2 )) (( segid "SAP " and resid 101 and name HB1 )) 1.600 0.300 0.600 peak 301 spectrum 1 weight 0.10000E+01 volume 0.42323E-01 ppm1 1.922 ppm2 1.782 CV 1 ASSI { 307} (( segid "SAP " and resid 120 and name HA )) (( segid "SAP " and resid 120 and name HG1 )) 3.400 1.500 1.500 peak 307 spectrum 1 weight 0.10000E+01 volume 0.92311E-03 ppm1 2.489 ppm2 4.120 CV 1 ASSI { 309} (( segid "SAP " and resid 95 and name HB1 )) (( segid "SAP " and resid 95 and name HG1 )) 2.400 0.700 0.700 peak 309 spectrum 1 weight 0.10000E+01 volume 0.73982E-02 ppm1 2.489 ppm2 2.237 CV 1 ASSI { 310} (( segid "SAP " and resid 95 and name HB1 )) (( segid "SAP " and resid 95 and name HG2 )) 2.200 0.600 0.600 peak 310 spectrum 1 weight 0.10000E+01 volume 0.83644E-02 ppm1 2.393 ppm2 2.238 CV 1 ASSI { 312} (( segid "SAP " and resid 95 and name HG1 )) (( segid "SAP " and resid 95 and name HG2 )) 1.500 0.300 0.700 peak 312 spectrum 1 weight 0.10000E+01 volume 0.65650E-01 ppm1 2.393 ppm2 2.493 CV 1 ASSI { 313} (( segid "SAP " and resid 120 and name HG1 )) (( segid "SAP " and resid 120 and name HG2 )) 1.600 0.300 0.600 peak 313 spectrum 1 weight 0.10000E+01 volume 0.50654E-01 ppm1 2.353 ppm2 2.492 CV 1 ASSI { 314} (( segid "SAP " and resid 95 and name HA )) (( segid "SAP " and resid 95 and name HG1 )) 3.300 1.300 1.300 peak 314 spectrum 1 weight 0.10000E+01 volume 0.94979E-03 ppm1 2.494 ppm2 4.269 CV 1 ASSI { 316} ( segid "SAP " and resid 85 and name HE% ) (( segid "SAP " and resid 90 and name HG2 )) 3.800 1.800 1.800 peak 316 spectrum 1 weight 0.10000E+01 volume 0.50654E-03 ppm1 2.014 ppm2 -0.932 CV 1 OR { 316} ( segid "SAP " and resid 85 and name HE% ) (( segid "SAP " and resid 90 and name HG1 )) ASSI { 317} (( segid "SAP " and resid 85 and name HZ )) (( segid "SAP " and resid 90 and name HG2 )) 3.700 1.700 1.700 peak 317 spectrum 1 weight 0.10000E+01 volume 0.55653E-03 ppm1 2.018 ppm2 -0.867 CV 1 OR { 317} (( segid "SAP " and resid 85 and name HZ )) (( segid "SAP " and resid 90 and name HG1 )) ASSI { 318} (( segid "SAP " and resid 90 and name HB2 )) (( segid "SAP " and resid 90 and name HG2 )) 2.000 0.500 0.500 peak 318 spectrum 1 weight 0.10000E+01 volume 0.19529E-01 ppm1 2.014 ppm2 1.809 CV 1 OR { 318} (( segid "SAP " and resid 90 and name HB2 )) (( segid "SAP " and resid 90 and name HG1 )) ASSI { 319} (( segid "SAP " and resid 90 and name HA )) (( segid "SAP " and resid 90 and name HG2 )) 2.900 1.100 1.100 peak 319 spectrum 1 weight 0.10000E+01 volume 0.19162E-02 ppm1 2.015 ppm2 3.640 CV 1 OR { 319} (( segid "SAP " and resid 90 and name HA )) (( segid "SAP " and resid 90 and name HG1 )) ASSI { 320} (( segid "SAP " and resid 87 and name HA )) (( segid "SAP " and resid 90 and name HG1 )) 3.800 1.800 1.800 peak 320 spectrum 1 weight 0.10000E+01 volume 0.66317E-03 ppm1 2.016 ppm2 3.848 CV 1 OR { 320} (( segid "SAP " and resid 87 and name HA )) (( segid "SAP " and resid 90 and name HG2 )) ASSI { 322} ( segid "SAP " and resid 98 and name HG1%) (( segid "SAP " and resid 96 and name HB1 )) 2.900 1.100 1.100 peak 322 spectrum 1 weight 0.10000E+01 volume 0.16896E-02 ppm1 1.945 ppm2 0.914 CV 1 ASSI { 323} ( segid "SAP " and resid 80 and name HB% ) (( segid "SAP " and resid 65 and name HG1 )) 3.500 1.500 1.500 peak 323 spectrum 1 weight 0.10000E+01 volume 0.67983E-03 ppm1 1.939 ppm2 1.093 CV 1 OR { 323} ( segid "SAP " and resid 80 and name HB% ) (( segid "SAP " and resid 65 and name HG2 )) ASSI { 329} ( segid "SAP " and resid 98 and name HG1%) (( segid "SAP " and resid 98 and name HB )) 2.200 0.600 0.600 peak 329 spectrum 1 weight 0.10000E+01 volume 0.92311E-02 ppm1 2.067 ppm2 0.911 CV 1 OR { 329} ( segid "SAP " and resid 98 and name HG2%) (( segid "SAP " and resid 98 and name HB )) ASSI { 330} ( segid "SAP " and resid 93 and name HG2%) (( segid "SAP " and resid 98 and name HB )) 4.100 2.100 1.900 peak 330 spectrum 1 weight 0.10000E+01 volume 0.64984E-03 ppm1 2.066 ppm2 1.016 CV 1 ASSI { 331} ( segid "SAP " and resid 100 and name HD1%) (( segid "SAP " and resid 98 and name HB )) 3.900 1.900 1.900 peak 331 spectrum 1 weight 0.10000E+01 volume 0.34325E-03 ppm1 2.068 ppm2 0.673 CV 1 ASSI { 332} (( segid "SAP " and resid 100 and name HG11)) (( segid "SAP " and resid 98 and name HB )) 3.500 1.500 1.500 peak 332 spectrum 1 weight 0.10000E+01 volume 0.59985E-03 ppm1 2.066 ppm2 1.469 CV 1 OR { 332} (( segid "SAP " and resid 100 and name HB )) (( segid "SAP " and resid 98 and name HB )) ASSI { 334} ( segid "SAP " and resid 98 and name HG1%) (( segid "SAP " and resid 96 and name HB2 )) 3.000 1.100 1.100 peak 334 spectrum 1 weight 0.10000E+01 volume 0.14297E-02 ppm1 1.822 ppm2 0.911 CV 1 OR { 334} ( segid "SAP " and resid 98 and name HG2%) (( segid "SAP " and resid 96 and name HB2 )) ASSI { 335} (( segid "SAP " and resid 96 and name HG2 )) (( segid "SAP " and resid 96 and name HB2 )) 2.600 0.900 0.900 peak 335 spectrum 1 weight 0.10000E+01 volume 0.37657E-02 ppm1 1.823 ppm2 1.460 CV 1 ASSI { 336} (( segid "SAP " and resid 96 and name HG1 )) (( segid "SAP " and resid 96 and name HB2 )) 2.000 0.500 0.500 peak 336 spectrum 1 weight 0.10000E+01 volume 0.14297E-01 ppm1 1.820 ppm2 1.601 CV 1 ASSI { 337} (( segid "SAP " and resid 96 and name HB1 )) (( segid "SAP " and resid 96 and name HB2 )) 1.600 0.300 0.600 peak 337 spectrum 1 weight 0.10000E+01 volume 0.45322E-01 ppm1 1.821 ppm2 1.941 CV 1 ASSI { 338} (( segid "SAP " and resid 96 and name HA )) (( segid "SAP " and resid 96 and name HB2 )) 2.800 1.000 1.000 peak 338 spectrum 1 weight 0.10000E+01 volume 0.31025E-02 ppm1 1.817 ppm2 4.275 CV 1 ASSI { 341} (( segid "SAP " and resid 70 and name HG2 )) (( segid "SAP " and resid 70 and name HB1 )) 2.300 0.700 0.700 peak 341 spectrum 1 weight 0.10000E+01 volume 0.48987E-02 ppm1 1.411 ppm2 1.124 CV 1 ASSI { 342} (( segid "SAP " and resid 70 and name HG2 )) (( segid "SAP " and resid 70 and name HB2 )) 2.500 0.800 0.800 peak 342 spectrum 1 weight 0.10000E+01 volume 0.76314E-02 ppm1 1.233 ppm2 1.126 CV 1 ASSI { 343} (( segid "SAP " and resid 70 and name HB2 )) (( segid "SAP " and resid 70 and name HB1 )) 1.900 0.400 0.400 peak 343 spectrum 1 weight 0.10000E+01 volume 0.16663E-01 ppm1 1.410 ppm2 1.235 CV 1 ASSI { 353} ( segid "SAP " and resid 69 and name HD1%) (( segid "SAP " and resid 115 and name HA )) 4.900 3.000 1.100 peak 353 spectrum 1 weight 0.10000E+01 volume 0.16829E-03 ppm1 4.046 ppm2 0.265 CV 1 ASSI { 354} ( segid "SAP " and resid 118 and name HD1%) (( segid "SAP " and resid 115 and name HA )) 3.200 1.300 1.300 peak 354 spectrum 1 weight 0.10000E+01 volume 0.13430E-02 ppm1 4.044 ppm2 0.814 CV 1 OR { 354} ( segid "SAP " and resid 118 and name HD2%) (( segid "SAP " and resid 115 and name HA )) ASSI { 356} (( segid "SAP " and resid 118 and name HG )) (( segid "SAP " and resid 115 and name HA )) 4.300 2.300 1.700 peak 356 spectrum 1 weight 0.10000E+01 volume 0.38657E-03 ppm1 4.042 ppm2 1.450 CV 1 ASSI { 357} (( segid "SAP " and resid 118 and name HB1 )) (( segid "SAP " and resid 115 and name HA )) 2.400 0.700 0.700 peak 357 spectrum 1 weight 0.10000E+01 volume 0.42989E-02 ppm1 4.043 ppm2 1.585 CV 1 ASSI { 358} (( segid "SAP " and resid 115 and name HB2 )) (( segid "SAP " and resid 115 and name HA )) 2.800 1.000 1.000 peak 358 spectrum 1 weight 0.10000E+01 volume 0.28293E-02 ppm1 4.043 ppm2 2.690 CV 1 ASSI { 359} (( segid "SAP " and resid 115 and name HB1 )) (( segid "SAP " and resid 115 and name HA )) 2.500 0.800 0.800 peak 359 spectrum 1 weight 0.10000E+01 volume 0.38990E-02 ppm1 4.044 ppm2 3.752 CV 1 ASSI { 360} ( segid "SAP " and resid 114 and name HD% ) (( segid "SAP " and resid 115 and name HA )) 3.900 1.900 1.900 peak 360 spectrum 1 weight 0.10000E+01 volume 0.28127E-03 ppm1 4.042 ppm2 6.292 CV 1 ASSI { 361} (( segid "SAP " and resid 122 and name HB )) (( segid "SAP " and resid 122 and name HA )) 2.800 1.000 1.000 peak 361 spectrum 1 weight 0.10000E+01 volume 0.27493E-02 ppm1 4.023 ppm2 2.153 CV 1 ASSI { 363} (( segid "SAP " and resid 119 and name HG11)) (( segid "SAP " and resid 115 and name HA )) 3.700 1.700 1.700 peak 363 spectrum 1 weight 0.10000E+01 volume 0.40989E-03 ppm1 4.024 ppm2 1.772 CV 1 ASSI { 365} (( segid "SAP " and resid 91 and name HD2 )) (( segid "SAP " and resid 94 and name HB1 )) 3.100 1.200 1.200 peak 365 spectrum 1 weight 0.10000E+01 volume 0.15296E-02 ppm1 4.021 ppm2 1.645 CV 1 OR { 365} (( segid "SAP " and resid 91 and name HD1 )) (( segid "SAP " and resid 94 and name HB1 )) OR { 365} (( segid "SAP " and resid 91 and name HD1 )) (( segid "SAP " and resid 94 and name HB2 )) OR { 365} (( segid "SAP " and resid 91 and name HD2 )) (( segid "SAP " and resid 94 and name HB2 )) ASSI { 366} ( segid "SAP " and resid 122 and name HG1%) (( segid "SAP " and resid 122 and name HA )) 2.400 0.700 0.700 peak 366 spectrum 1 weight 0.10000E+01 volume 0.55653E-02 ppm1 4.023 ppm2 0.940 CV 1 OR { 366} ( segid "SAP " and resid 122 and name HG2%) (( segid "SAP " and resid 122 and name HA )) ASSI { 367} (( segid "SAP " and resid 112 and name HB2 )) (( segid "SAP " and resid 112 and name HB1 )) 2.000 0.500 0.500 peak 367 spectrum 1 weight 0.10000E+01 volume 0.10831E-01 ppm1 3.374 ppm2 2.785 CV 1 ASSI { 369} (( segid "SAP " and resid 78 and name HB2 )) (( segid "SAP " and resid 112 and name HB1 )) 4.000 2.000 2.000 peak 369 spectrum 1 weight 0.10000E+01 volume 0.44988E-03 ppm1 3.372 ppm2 1.756 CV 1 OR { 369} (( segid "SAP " and resid 78 and name HG1 )) (( segid "SAP " and resid 112 and name HB1 )) ASSI { 370} (( segid "SAP " and resid 78 and name HB2 )) (( segid "SAP " and resid 112 and name HB2 )) 4.200 2.200 1.800 peak 370 spectrum 1 weight 0.10000E+01 volume 0.31659E-03 ppm1 2.783 ppm2 1.760 CV 1 OR { 370} (( segid "SAP " and resid 78 and name HG1 )) (( segid "SAP " and resid 112 and name HB2 )) ASSI { 371} (( segid "SAP " and resid 78 and name HB1 )) (( segid "SAP " and resid 112 and name HB1 )) 3.600 1.700 1.700 peak 371 spectrum 1 weight 0.10000E+01 volume 0.44322E-03 ppm1 3.373 ppm2 2.221 CV 1 ASSI { 372} (( segid "SAP " and resid 78 and name HB1 )) (( segid "SAP " and resid 112 and name HB2 )) 3.600 1.600 1.600 peak 372 spectrum 1 weight 0.10000E+01 volume 0.46988E-03 ppm1 2.785 ppm2 2.225 CV 1 ASSI { 373} (( segid "SAP " and resid 67 and name HB2 )) (( segid "SAP " and resid 112 and name HB1 )) 2.700 0.900 0.900 peak 373 spectrum 1 weight 0.10000E+01 volume 0.20228E-02 ppm1 3.376 ppm2 2.922 CV 1 ASSI { 374} (( segid "SAP " and resid 67 and name HB2 )) (( segid "SAP " and resid 112 and name HB2 )) 3.200 1.300 1.300 peak 374 spectrum 1 weight 0.10000E+01 volume 0.31692E-02 ppm1 2.788 ppm2 2.919 CV 1 ASSI { 375} (( segid "SAP " and resid 67 and name HB1 )) (( segid "SAP " and resid 112 and name HB1 )) 3.800 1.800 1.800 peak 375 spectrum 1 weight 0.10000E+01 volume 0.10397E-02 ppm1 3.368 ppm2 3.186 CV 1 ASSI { 376} (( segid "SAP " and resid 67 and name HB1 )) (( segid "SAP " and resid 112 and name HB2 )) 4.300 2.300 1.700 peak 376 spectrum 1 weight 0.10000E+01 volume 0.75647E-03 ppm1 2.783 ppm2 3.183 CV 1 ASSI { 379} ( segid "SAP " and resid 89 and name HG2%) (( segid "SAP " and resid 89 and name HA )) 2.500 0.800 0.800 peak 379 spectrum 1 weight 0.10000E+01 volume 0.47988E-02 ppm1 3.682 ppm2 0.817 CV 1 ASSI { 380} (( segid "SAP " and resid 89 and name HG12)) (( segid "SAP " and resid 89 and name HA )) 2.900 1.100 1.100 peak 380 spectrum 1 weight 0.10000E+01 volume 0.17862E-02 ppm1 3.681 ppm2 1.239 CV 1 ASSI { 381} (( segid "SAP " and resid 89 and name HG11)) (( segid "SAP " and resid 89 and name HA )) 3.300 1.300 1.300 peak 381 spectrum 1 weight 0.10000E+01 volume 0.98644E-03 ppm1 3.682 ppm2 1.549 CV 1 ASSI { 382} (( segid "SAP " and resid 89 and name HB )) (( segid "SAP " and resid 89 and name HA )) 2.900 1.000 1.000 peak 382 spectrum 1 weight 0.10000E+01 volume 0.20862E-02 ppm1 3.682 ppm2 1.740 CV 1 ASSI { 384} (( segid "SAP " and resid 108 and name HD2 )) (( segid "SAP " and resid 108 and name HB2 )) 3.900 1.900 1.900 peak 384 spectrum 1 weight 0.10000E+01 volume 0.58319E-03 ppm1 3.143 ppm2 -1.010 CV 1 ASSI { 388} (( segid "SAP " and resid 108 and name HA )) (( segid "SAP " and resid 108 and name HB2 )) 2.900 1.000 1.000 peak 388 spectrum 1 weight 0.10000E+01 volume 0.18029E-02 ppm1 3.150 ppm2 4.654 CV 1 ASSI { 389} (( segid "SAP " and resid 67 and name HB2 )) (( segid "SAP " and resid 67 and name HB1 )) 2.000 0.500 0.500 peak 389 spectrum 1 weight 0.10000E+01 volume 0.11797E-01 ppm1 3.178 ppm2 2.922 CV 1 ASSI { 394} ( segid "SAP " and resid 93 and name HG2%) (( segid "SAP " and resid 93 and name HA )) 2.600 0.900 0.900 peak 394 spectrum 1 weight 0.10000E+01 volume 0.35325E-02 ppm1 3.918 ppm2 1.022 CV 1 ASSI { 395} (( segid "SAP " and resid 93 and name HG12)) (( segid "SAP " and resid 93 and name HA )) 2.800 1.000 1.000 peak 395 spectrum 1 weight 0.10000E+01 volume 0.23028E-02 ppm1 3.918 ppm2 1.116 CV 1 ASSI { 398} (( segid "SAP " and resid 96 and name HB2 )) (( segid "SAP " and resid 93 and name HA )) 3.100 1.200 1.200 peak 398 spectrum 1 weight 0.10000E+01 volume 0.11130E-02 ppm1 3.922 ppm2 1.818 CV 1 ASSI { 402} ( segid "SAP " and resid 100 and name HG2%) (( segid "SAP " and resid 71 and name HB2 )) 4.600 2.700 1.400 peak 402 spectrum 1 weight 0.10000E+01 volume 0.12664E-03 ppm1 1.597 ppm2 0.580 CV 1 ASSI { 405} (( segid "SAP " and resid 71 and name HB2 )) (( segid "SAP " and resid 71 and name HB1 )) 1.900 0.500 0.500 peak 405 spectrum 1 weight 0.10000E+01 volume 0.13929E-01 ppm1 2.133 ppm2 1.603 CV 1 ASSI { 406} (( segid "SAP " and resid 71 and name HB1 )) (( segid "SAP " and resid 71 and name HB2 )) 1.900 0.400 0.400 peak 406 spectrum 1 weight 0.10000E+01 volume 0.18995E-01 ppm1 1.603 ppm2 2.129 CV 1 OR { 406} (( segid "SAP " and resid 71 and name HG1 )) (( segid "SAP " and resid 71 and name HB2 )) ASSI { 407} (( segid "SAP " and resid 71 and name HA )) (( segid "SAP " and resid 71 and name HB1 )) 3.300 1.400 1.400 peak 407 spectrum 1 weight 0.10000E+01 volume 0.10898E-02 ppm1 2.136 ppm2 5.099 CV 1 ASSI { 408} (( segid "SAP " and resid 71 and name HA )) (( segid "SAP " and resid 71 and name HB2 )) 2.700 0.900 0.900 peak 408 spectrum 1 weight 0.10000E+01 volume 0.26460E-02 ppm1 1.603 ppm2 5.096 CV 1 ASSI { 409} ( segid "SAP " and resid 122 and name HG1%) (( segid "SAP " and resid 122 and name HB )) 2.200 0.600 0.600 peak 409 spectrum 1 weight 0.10000E+01 volume 0.92645E-02 ppm1 2.153 ppm2 0.939 CV 1 OR { 409} ( segid "SAP " and resid 122 and name HG2%) (( segid "SAP " and resid 122 and name HB )) ASSI { 415} (( segid "SAP " and resid 74 and name HB1 )) (( segid "SAP " and resid 74 and name HB2 )) 1.600 0.300 0.600 peak 415 spectrum 1 weight 0.10000E+01 volume 0.44322E-01 ppm1 1.872 ppm2 2.025 CV 1 ASSI { 417} (( segid "SAP " and resid 74 and name HG1 )) (( segid "SAP " and resid 74 and name HB2 )) 2.500 0.800 0.800 peak 417 spectrum 1 weight 0.10000E+01 volume 0.43989E-02 ppm1 1.870 ppm2 2.278 CV 1 ASSI { 418} ( segid "SAP " and resid 111 and name HD1%) (( segid "SAP " and resid 116 and name HB1 )) 5.200 3.300 0.800 peak 418 spectrum 1 weight 0.10000E+01 volume 0.17962E-03 ppm1 2.080 ppm2 0.646 CV 1 ASSI { 422} (( segid "SAP " and resid 116 and name HG1 )) (( segid "SAP " and resid 116 and name HB1 )) 3.500 1.500 1.500 peak 422 spectrum 1 weight 0.10000E+01 volume 0.96310E-03 ppm1 2.080 ppm2 1.408 CV 1 ASSI { 429} (( segid "SAP " and resid 91 and name HA )) (( segid "SAP " and resid 91 and name HB1 )) 2.600 0.800 0.800 peak 429 spectrum 1 weight 0.10000E+01 volume 0.40323E-02 ppm1 1.868 ppm2 4.095 CV 1 ASSI { 435} (( segid "SAP " and resid 104 and name HA )) (( segid "SAP " and resid 104 and name HB1 )) 2.500 0.800 0.800 peak 435 spectrum 1 weight 0.10000E+01 volume 0.39657E-02 ppm1 1.877 ppm2 3.924 CV 1 ASSI { 438} (( segid "SAP " and resid 78 and name HB2 )) (( segid "SAP " and resid 78 and name HB1 )) 2.100 0.600 0.600 peak 438 spectrum 1 weight 0.10000E+01 volume 0.88981E-02 ppm1 2.227 ppm2 1.753 CV 1 ASSI { 443} (( segid "SAP " and resid 112 and name HB2 )) (( segid "SAP " and resid 78 and name HB2 )) 4.900 2.900 1.100 peak 443 spectrum 1 weight 0.10000E+01 volume 0.12963E-03 ppm1 1.757 ppm2 2.784 CV 1 ASSI { 445} (( segid "SAP " and resid 78 and name HD2 )) (( segid "SAP " and resid 78 and name HB2 )) 3.300 1.300 1.300 peak 445 spectrum 1 weight 0.10000E+01 volume 0.84982E-03 ppm1 1.752 ppm2 3.079 CV 1 ASSI { 447} (( segid "SAP " and resid 112 and name HB1 )) (( segid "SAP " and resid 78 and name HB2 )) 5.100 3.300 0.900 peak 447 spectrum 1 weight 0.10000E+01 volume 0.10298E-03 ppm1 1.747 ppm2 3.378 CV 1 ASSI { 449} (( segid "SAP " and resid 78 and name HD1 )) (( segid "SAP " and resid 78 and name HB2 )) 4.000 2.000 2.000 peak 449 spectrum 1 weight 0.10000E+01 volume 0.34658E-03 ppm1 1.762 ppm2 3.627 CV 1 ASSI { 459} (( segid "SAP " and resid 99 and name HG2 )) (( segid "SAP " and resid 99 and name HB2 )) 2.400 0.700 0.700 peak 459 spectrum 1 weight 0.10000E+01 volume 0.64650E-02 ppm1 1.887 ppm2 1.347 CV 1 OR { 459} (( segid "SAP " and resid 99 and name HG2 )) (( segid "SAP " and resid 99 and name HB1 )) ASSI { 460} (( segid "SAP " and resid 99 and name HG1 )) (( segid "SAP " and resid 99 and name HB1 )) 2.300 0.700 0.700 peak 460 spectrum 1 weight 0.10000E+01 volume 0.67983E-02 ppm1 1.887 ppm2 1.433 CV 1 OR { 460} (( segid "SAP " and resid 99 and name HG1 )) (( segid "SAP " and resid 99 and name HB2 )) ASSI { 461} (( segid "SAP " and resid 97 and name HG2 )) (( segid "SAP " and resid 97 and name HB1 )) 2.300 0.600 0.600 peak 461 spectrum 1 weight 0.10000E+01 volume 0.84647E-02 ppm1 1.935 ppm2 1.394 CV 1 OR { 461} (( segid "SAP " and resid 97 and name HG1 )) (( segid "SAP " and resid 97 and name HB2 )) OR { 461} (( segid "SAP " and resid 97 and name HG1 )) (( segid "SAP " and resid 97 and name HB1 )) OR { 461} (( segid "SAP " and resid 97 and name HG2 )) (( segid "SAP " and resid 97 and name HB2 )) ASSI { 464} (( segid "SAP " and resid 119 and name HA )) (( segid "SAP " and resid 119 and name HG12)) 2.900 1.100 1.100 peak 464 spectrum 1 weight 0.10000E+01 volume 0.16896E-02 ppm1 0.881 ppm2 3.471 CV 1 ASSI { 466} (( segid "SAP " and resid 119 and name HG12)) (( segid "SAP " and resid 119 and name HG11)) 1.900 0.400 0.400 peak 466 spectrum 1 weight 0.10000E+01 volume 0.15829E-01 ppm1 1.794 ppm2 0.874 CV 1 ASSI { 467} ( segid "SAP " and resid 119 and name HD1%) (( segid "SAP " and resid 119 and name HG11)) 2.200 0.600 0.600 peak 467 spectrum 1 weight 0.10000E+01 volume 0.90981E-02 ppm1 1.793 ppm2 0.790 CV 1 ASSI { 471} (( segid "SAP " and resid 88 and name HD2 )) (( segid "SAP " and resid 88 and name HB1 )) 2.900 1.100 1.100 peak 471 spectrum 1 weight 0.10000E+01 volume 0.15696E-02 ppm1 1.773 ppm2 3.145 CV 1 OR { 471} (( segid "SAP " and resid 88 and name HD1 )) (( segid "SAP " and resid 88 and name HB1 )) ASSI { 472} (( segid "SAP " and resid 88 and name HD2 )) (( segid "SAP " and resid 88 and name HB2 )) 3.600 1.600 1.600 peak 472 spectrum 1 weight 0.10000E+01 volume 0.71982E-03 ppm1 1.702 ppm2 3.148 CV 1 OR { 472} (( segid "SAP " and resid 88 and name HD1 )) (( segid "SAP " and resid 88 and name HB2 )) ASSI { 473} (( segid "SAP " and resid 76 and name HB2 )) (( segid "SAP " and resid 76 and name HA )) 2.700 0.900 0.900 peak 473 spectrum 1 weight 0.10000E+01 volume 0.27193E-02 ppm1 4.171 ppm2 2.842 CV 1 ASSI { 474} (( segid "SAP " and resid 76 and name HB1 )) (( segid "SAP " and resid 76 and name HA )) 3.200 1.300 1.300 peak 474 spectrum 1 weight 0.10000E+01 volume 0.15829E-02 ppm1 4.170 ppm2 3.039 CV 1 ASSI { 477} (( segid "SAP " and resid 117 and name HB1 )) (( segid "SAP " and resid 114 and name HA )) 3.300 1.400 1.400 peak 477 spectrum 1 weight 0.10000E+01 volume 0.80646E-03 ppm1 4.103 ppm2 2.741 CV 1 ASSI { 478} (( segid "SAP " and resid 114 and name HB2 )) (( segid "SAP " and resid 114 and name HA )) 2.600 0.800 0.800 peak 478 spectrum 1 weight 0.10000E+01 volume 0.33991E-02 ppm1 4.105 ppm2 2.971 CV 1 ASSI { 479} (( segid "SAP " and resid 114 and name HB1 )) (( segid "SAP " and resid 114 and name HA )) 3.300 1.400 1.400 peak 479 spectrum 1 weight 0.10000E+01 volume 0.12197E-02 ppm1 4.104 ppm2 3.553 CV 1 ASSI { 481} (( segid "SAP " and resid 92 and name HB2 )) (( segid "SAP " and resid 92 and name HA )) 2.500 0.800 0.800 peak 481 spectrum 1 weight 0.10000E+01 volume 0.52986E-02 ppm1 4.325 ppm2 3.922 CV 1 OR { 481} (( segid "SAP " and resid 92 and name HB1 )) (( segid "SAP " and resid 92 and name HA )) ASSI { 482} (( segid "SAP " and resid 95 and name HB2 )) (( segid "SAP " and resid 92 and name HA )) 3.400 1.500 1.500 peak 482 spectrum 1 weight 0.10000E+01 volume 0.85978E-03 ppm1 4.326 ppm2 2.143 CV 1 ASSI { 483} (( segid "SAP " and resid 95 and name HB1 )) (( segid "SAP " and resid 92 and name HA )) 3.800 1.800 1.800 peak 483 spectrum 1 weight 0.10000E+01 volume 0.34658E-03 ppm1 4.326 ppm2 2.235 CV 1 ASSI { 484} (( segid "SAP " and resid 76 and name HB2 )) (( segid "SAP " and resid 76 and name HB1 )) 2.000 0.500 0.500 peak 484 spectrum 1 weight 0.10000E+01 volume 0.10698E-01 ppm1 3.037 ppm2 2.841 CV 1 ASSI { 490} ( segid "SAP " and resid 111 and name HD1%) (( segid "SAP " and resid 116 and name HA )) 2.500 0.800 0.800 peak 490 spectrum 1 weight 0.10000E+01 volume 0.41656E-02 ppm1 3.714 ppm2 0.650 CV 1 ASSI { 493} (( segid "SAP " and resid 116 and name HG2 )) (( segid "SAP " and resid 116 and name HA )) 3.400 1.500 1.500 peak 493 spectrum 1 weight 0.10000E+01 volume 0.96644E-03 ppm1 3.716 ppm2 1.159 CV 1 ASSI { 494} (( segid "SAP " and resid 116 and name HG1 )) (( segid "SAP " and resid 116 and name HA )) 2.900 1.100 1.100 peak 494 spectrum 1 weight 0.10000E+01 volume 0.15129E-02 ppm1 3.715 ppm2 1.409 CV 1 ASSI { 496} (( segid "SAP " and resid 116 and name HB2 )) (( segid "SAP " and resid 116 and name HA )) 2.500 0.800 0.800 peak 496 spectrum 1 weight 0.10000E+01 volume 0.38990E-02 ppm1 3.714 ppm2 1.881 CV 1 ASSI { 497} (( segid "SAP " and resid 116 and name HB1 )) (( segid "SAP " and resid 116 and name HA )) 3.200 1.300 1.300 peak 497 spectrum 1 weight 0.10000E+01 volume 0.13630E-02 ppm1 3.715 ppm2 2.082 CV 1 ASSI { 498} (( segid "SAP " and resid 67 and name HB2 )) (( segid "SAP " and resid 67 and name HA )) 2.700 0.900 0.900 peak 498 spectrum 1 weight 0.10000E+01 volume 0.25627E-02 ppm1 4.144 ppm2 2.924 CV 1 ASSI { 499} (( segid "SAP " and resid 67 and name HB1 )) (( segid "SAP " and resid 67 and name HA )) 3.500 1.500 1.500 peak 499 spectrum 1 weight 0.10000E+01 volume 0.83978E-03 ppm1 4.146 ppm2 3.185 CV 1 ASSI { 500} (( segid "SAP " and resid 80 and name HA )) (( segid "SAP " and resid 67 and name HA )) 3.800 1.800 1.800 peak 500 spectrum 1 weight 0.10000E+01 volume 0.36990E-03 ppm1 4.149 ppm2 3.550 CV 1 ASSI { 502} ( segid "SAP " and resid 111 and name HG2%) (( segid "SAP " and resid 67 and name HA )) 4.600 2.600 1.400 peak 502 spectrum 1 weight 0.10000E+01 volume 0.19162E-03 ppm1 4.148 ppm2 0.924 CV 1 ASSI { 503} ( segid "SAP " and resid 80 and name HB% ) (( segid "SAP " and resid 67 and name HA )) 2.800 1.000 1.000 peak 503 spectrum 1 weight 0.10000E+01 volume 0.22461E-02 ppm1 4.142 ppm2 1.093 CV 1 ASSI { 504} (( segid "SAP " and resid 111 and name HA )) (( segid "SAP " and resid 67 and name HA )) 2.700 0.900 0.900 peak 504 spectrum 1 weight 0.10000E+01 volume 0.29259E-02 ppm1 4.143 ppm2 5.960 CV 1 ASSI { 505} ( segid "SAP " and resid 98 and name HG1%) (( segid "SAP " and resid 98 and name HA )) 2.500 0.800 0.800 peak 505 spectrum 1 weight 0.10000E+01 volume 0.46655E-02 ppm1 4.345 ppm2 0.911 CV 1 ASSI { 506} (( segid "SAP " and resid 98 and name HB )) (( segid "SAP " and resid 98 and name HA )) 2.600 0.800 0.800 peak 506 spectrum 1 weight 0.10000E+01 volume 0.34658E-02 ppm1 4.346 ppm2 2.066 CV 1 ASSI { 507} (( segid "SAP " and resid 94 and name HB2 )) (( segid "SAP " and resid 94 and name HA )) 2.400 0.700 0.700 peak 507 spectrum 1 weight 0.10000E+01 volume 0.57986E-02 ppm1 4.392 ppm2 4.013 CV 1 OR { 507} (( segid "SAP " and resid 94 and name HB1 )) (( segid "SAP " and resid 94 and name HA )) ASSI { 508} ( segid "SAP " and resid 93 and name HG2%) (( segid "SAP " and resid 94 and name HA )) 3.700 1.700 1.700 peak 508 spectrum 1 weight 0.10000E+01 volume 0.43989E-03 ppm1 4.393 ppm2 1.020 CV 1 ASSI { 509} (( segid "SAP " and resid 121 and name HB1 )) (( segid "SAP " and resid 121 and name HA )) 2.400 0.700 0.700 peak 509 spectrum 1 weight 0.10000E+01 volume 0.71315E-02 ppm1 4.301 ppm2 3.943 CV 1 ASSI { 510} ( segid "SAP " and resid 122 and name HG2%) (( segid "SAP " and resid 121 and name HA )) 4.300 2.300 1.700 peak 510 spectrum 1 weight 0.10000E+01 volume 0.25760E-03 ppm1 4.295 ppm2 0.965 CV 1 ASSI { 512} (( segid "SAP " and resid 110 and name HB2 )) (( segid "SAP " and resid 110 and name HA )) 3.300 1.400 1.400 peak 512 spectrum 1 weight 0.10000E+01 volume 0.10898E-02 ppm1 5.018 ppm2 2.841 CV 1 ASSI { 515} ( segid "SAP " and resid 110 and name HD% ) (( segid "SAP " and resid 110 and name HA )) 3.100 1.200 1.200 peak 515 spectrum 1 weight 0.10000E+01 volume 0.10930E-02 ppm1 5.021 ppm2 -0.976 CV 1 ASSI { 516} (( segid "SAP " and resid 111 and name HG12)) (( segid "SAP " and resid 110 and name HA )) 4.200 2.200 1.800 peak 516 spectrum 1 weight 0.10000E+01 volume 0.41989E-03 ppm1 5.025 ppm2 0.925 CV 1 OR { 516} ( segid "SAP " and resid 111 and name HG2%) (( segid "SAP " and resid 110 and name HA )) ASSI { 517} ( segid "SAP " and resid 80 and name HB% ) (( segid "SAP " and resid 110 and name HA )) 5.100 3.200 0.900 peak 517 spectrum 1 weight 0.10000E+01 volume 0.12464E-03 ppm1 5.024 ppm2 1.094 CV 1 ASSI { 518} (( segid "SAP " and resid 84 and name HA )) (( segid "SAP " and resid 110 and name HA )) 2.500 0.800 0.800 peak 518 spectrum 1 weight 0.10000E+01 volume 0.42656E-02 ppm1 5.020 ppm2 5.309 CV 1 ASSI { 519} (( segid "SAP " and resid 115 and name HB2 )) (( segid "SAP " and resid 115 and name HB1 )) 1.900 0.500 0.500 peak 519 spectrum 1 weight 0.10000E+01 volume 0.13697E-01 ppm1 3.748 ppm2 2.690 CV 1 ASSI { 525} ( segid "SAP " and resid 69 and name HD1%) (( segid "SAP " and resid 115 and name HB1 )) 3.000 1.100 1.100 peak 525 spectrum 1 weight 0.10000E+01 volume 0.14363E-02 ppm1 3.750 ppm2 0.264 CV 1 ASSI { 526} ( segid "SAP " and resid 69 and name HD1%) (( segid "SAP " and resid 115 and name HB2 )) 2.800 0.900 0.900 peak 526 spectrum 1 weight 0.10000E+01 volume 0.25060E-02 ppm1 2.692 ppm2 0.264 CV 1 ASSI { 529} ( segid "SAP " and resid 119 and name HD1%) (( segid "SAP " and resid 115 and name HB1 )) 3.700 1.700 1.700 peak 529 spectrum 1 weight 0.10000E+01 volume 0.36990E-03 ppm1 3.738 ppm2 0.783 CV 1 ASSI { 531} ( segid "SAP " and resid 111 and name HG2%) (( segid "SAP " and resid 115 and name HB1 )) 5.300 3.500 0.700 peak 531 spectrum 1 weight 0.10000E+01 volume 0.10330E-03 ppm1 3.750 ppm2 0.932 CV 1 ASSI { 532} ( segid "SAP " and resid 111 and name HG2%) (( segid "SAP " and resid 115 and name HB2 )) 4.500 2.500 1.500 peak 532 spectrum 1 weight 0.10000E+01 volume 0.23360E-03 ppm1 2.688 ppm2 0.924 CV 1 OR { 532} (( segid "SAP " and resid 111 and name HG12)) (( segid "SAP " and resid 115 and name HB2 )) ASSI { 533} (( segid "SAP " and resid 111 and name HB )) (( segid "SAP " and resid 115 and name HB1 )) 3.800 1.800 1.800 peak 533 spectrum 1 weight 0.10000E+01 volume 0.71648E-03 ppm1 3.746 ppm2 2.054 CV 1 ASSI { 535} ( segid "SAP " and resid 100 and name HG2%) (( segid "SAP " and resid 100 and name HA )) 2.800 1.000 1.000 peak 535 spectrum 1 weight 0.10000E+01 volume 0.23461E-02 ppm1 5.020 ppm2 0.585 CV 1 ASSI { 536} ( segid "SAP " and resid 100 and name HD1%) (( segid "SAP " and resid 100 and name HA )) 3.700 1.700 1.700 peak 536 spectrum 1 weight 0.10000E+01 volume 0.11497E-02 ppm1 5.020 ppm2 0.674 CV 1 ASSI { 537} (( segid "SAP " and resid 100 and name HG12)) (( segid "SAP " and resid 100 and name HA )) 2.800 1.000 1.000 peak 537 spectrum 1 weight 0.10000E+01 volume 0.21828E-02 ppm1 5.019 ppm2 0.879 CV 1 ASSI { 538} (( segid "SAP " and resid 100 and name HG11)) (( segid "SAP " and resid 100 and name HA )) 2.800 1.000 1.000 peak 538 spectrum 1 weight 0.10000E+01 volume 0.24727E-02 ppm1 5.020 ppm2 1.470 CV 1 OR { 538} (( segid "SAP " and resid 100 and name HB )) (( segid "SAP " and resid 100 and name HA )) ASSI { 540} (( segid "SAP " and resid 87 and name HG2 )) (( segid "SAP " and resid 87 and name HA )) 3.200 1.300 1.300 peak 540 spectrum 1 weight 0.10000E+01 volume 0.11797E-02 ppm1 3.848 ppm2 1.411 CV 1 ASSI { 541} (( segid "SAP " and resid 87 and name HG1 )) (( segid "SAP " and resid 87 and name HA )) 3.400 1.400 1.400 peak 541 spectrum 1 weight 0.10000E+01 volume 0.85643E-03 ppm1 3.847 ppm2 1.503 CV 1 ASSI { 542} (( segid "SAP " and resid 87 and name HD2 )) (( segid "SAP " and resid 87 and name HA )) 3.400 1.500 1.500 peak 542 spectrum 1 weight 0.10000E+01 volume 0.10197E-02 ppm1 3.847 ppm2 1.662 CV 1 OR { 542} (( segid "SAP " and resid 87 and name HD1 )) (( segid "SAP " and resid 87 and name HA )) ASSI { 543} (( segid "SAP " and resid 87 and name HB1 )) (( segid "SAP " and resid 87 and name HA )) 2.300 0.700 0.700 peak 543 spectrum 1 weight 0.10000E+01 volume 0.71982E-02 ppm1 3.847 ppm2 1.784 CV 1 OR { 543} (( segid "SAP " and resid 87 and name HB2 )) (( segid "SAP " and resid 87 and name HA )) ASSI { 544} (( segid "SAP " and resid 90 and name HB1 )) (( segid "SAP " and resid 87 and name HA )) 2.700 0.900 0.900 peak 544 spectrum 1 weight 0.10000E+01 volume 0.28992E-02 ppm1 3.847 ppm2 2.017 CV 1 ASSI { 545} ( segid "SAP " and resid 93 and name HD1%) (( segid "SAP " and resid 90 and name HA )) 3.000 1.100 1.100 peak 545 spectrum 1 weight 0.10000E+01 volume 0.14363E-02 ppm1 3.638 ppm2 0.876 CV 1 ASSI { 546} ( segid "SAP " and resid 93 and name HG2%) (( segid "SAP " and resid 90 and name HA )) 4.500 2.500 1.500 peak 546 spectrum 1 weight 0.10000E+01 volume 0.23760E-03 ppm1 3.635 ppm2 1.025 CV 1 ASSI { 547} (( segid "SAP " and resid 93 and name HG12)) (( segid "SAP " and resid 90 and name HA )) 4.200 2.300 1.800 peak 547 spectrum 1 weight 0.10000E+01 volume 0.48321E-03 ppm1 3.638 ppm2 1.116 CV 1 ASSI { 548} (( segid "SAP " and resid 93 and name HG11)) (( segid "SAP " and resid 90 and name HA )) 3.600 1.600 1.600 peak 548 spectrum 1 weight 0.10000E+01 volume 0.52320E-03 ppm1 3.635 ppm2 1.667 CV 1 ASSI { 549} (( segid "SAP " and resid 90 and name HB2 )) (( segid "SAP " and resid 90 and name HA )) 2.600 0.900 0.900 peak 549 spectrum 1 weight 0.10000E+01 volume 0.30726E-02 ppm1 3.639 ppm2 1.807 CV 1 ASSI { 550} (( segid "SAP " and resid 90 and name HG2 )) (( segid "SAP " and resid 90 and name HA )) 2.400 0.700 0.700 peak 550 spectrum 1 weight 0.10000E+01 volume 0.65650E-02 ppm1 3.640 ppm2 2.021 CV 1 OR { 550} (( segid "SAP " and resid 90 and name HB1 )) (( segid "SAP " and resid 90 and name HA )) OR { 550} (( segid "SAP " and resid 90 and name HG1 )) (( segid "SAP " and resid 90 and name HA )) ASSI { 552} (( segid "SAP " and resid 88 and name HG2 )) (( segid "SAP " and resid 88 and name HA )) 2.800 1.000 1.000 peak 552 spectrum 1 weight 0.10000E+01 volume 0.21728E-02 ppm1 3.988 ppm2 1.554 CV 1 ASSI { 553} (( segid "SAP " and resid 88 and name HG1 )) (( segid "SAP " and resid 88 and name HA )) 3.000 1.100 1.100 peak 553 spectrum 1 weight 0.10000E+01 volume 0.21328E-02 ppm1 3.988 ppm2 1.628 CV 1 ASSI { 554} (( segid "SAP " and resid 88 and name HB2 )) (( segid "SAP " and resid 88 and name HA )) 2.500 0.800 0.800 peak 554 spectrum 1 weight 0.10000E+01 volume 0.39657E-02 ppm1 3.987 ppm2 1.697 CV 1 ASSI { 555} (( segid "SAP " and resid 88 and name HB1 )) (( segid "SAP " and resid 88 and name HA )) 2.600 0.800 0.800 peak 555 spectrum 1 weight 0.10000E+01 volume 0.50321E-02 ppm1 3.988 ppm2 1.770 CV 1 ASSI { 556} (( segid "SAP " and resid 91 and name HB1 )) (( segid "SAP " and resid 88 and name HA )) 2.700 0.900 0.900 peak 556 spectrum 1 weight 0.10000E+01 volume 0.30726E-02 ppm1 3.986 ppm2 1.864 CV 1 ASSI { 559} (( segid "SAP " and resid 104 and name HB2 )) (( segid "SAP " and resid 104 and name HA )) 2.700 0.900 0.900 peak 559 spectrum 1 weight 0.10000E+01 volume 0.30892E-02 ppm1 3.920 ppm2 1.773 CV 1 ASSI { 560} (( segid "SAP " and resid 118 and name HG )) (( segid "SAP " and resid 118 and name HA )) 2.600 0.900 0.900 peak 560 spectrum 1 weight 0.10000E+01 volume 0.32925E-02 ppm1 3.919 ppm2 1.412 CV 1 ASSI { 561} (( segid "SAP " and resid 104 and name HG1 )) (( segid "SAP " and resid 104 and name HA )) 3.100 1.200 1.200 peak 561 spectrum 1 weight 0.10000E+01 volume 0.17562E-02 ppm1 3.920 ppm2 1.506 CV 1 ASSI { 562} ( segid "SAP " and resid 102 and name HD2%) (( segid "SAP " and resid 104 and name HA )) 3.600 1.700 1.700 peak 562 spectrum 1 weight 0.10000E+01 volume 0.54987E-03 ppm1 3.920 ppm2 0.670 CV 1 OR { 562} ( segid "SAP " and resid 102 and name HD1%) (( segid "SAP " and resid 104 and name HA )) ASSI { 563} (( segid "SAP " and resid 102 and name HG )) (( segid "SAP " and resid 104 and name HA )) 3.900 1.900 1.900 peak 563 spectrum 1 weight 0.10000E+01 volume 0.34991E-03 ppm1 3.921 ppm2 1.059 CV 1 ASSI { 564} ( segid "SAP " and resid 118 and name HD2%) (( segid "SAP " and resid 118 and name HA )) 2.900 1.100 1.100 peak 564 spectrum 1 weight 0.10000E+01 volume 0.24794E-02 ppm1 3.930 ppm2 0.786 CV 1 ASSI { 565} (( segid "SAP " and resid 118 and name HB2 )) (( segid "SAP " and resid 118 and name HA )) 2.500 0.800 0.800 peak 565 spectrum 1 weight 0.10000E+01 volume 0.36990E-02 ppm1 3.930 ppm2 1.283 CV 1 ASSI { 567} (( segid "SAP " and resid 118 and name HB1 )) (( segid "SAP " and resid 118 and name HA )) 2.900 1.000 1.000 peak 567 spectrum 1 weight 0.10000E+01 volume 0.26327E-02 ppm1 3.929 ppm2 1.585 CV 1 ASSI { 568} (( segid "SAP " and resid 91 and name HG2 )) (( segid "SAP " and resid 91 and name HA )) 3.300 1.400 1.400 peak 568 spectrum 1 weight 0.10000E+01 volume 0.90646E-03 ppm1 4.094 ppm2 1.426 CV 1 ASSI { 569} (( segid "SAP " and resid 91 and name HG1 )) (( segid "SAP " and resid 91 and name HA )) 3.300 1.400 1.400 peak 569 spectrum 1 weight 0.10000E+01 volume 0.10164E-02 ppm1 4.095 ppm2 1.489 CV 1 ASSI { 572} (( segid "SAP " and resid 90 and name HB1 )) (( segid "SAP " and resid 91 and name HA )) 4.200 2.200 1.800 peak 572 spectrum 1 weight 0.10000E+01 volume 0.22594E-03 ppm1 4.094 ppm2 2.016 CV 1 OR { 572} (( segid "SAP " and resid 90 and name HG1 )) (( segid "SAP " and resid 91 and name HA )) OR { 572} (( segid "SAP " and resid 90 and name HG2 )) (( segid "SAP " and resid 91 and name HA )) ASSI { 573} (( segid "SAP " and resid 68 and name HB2 )) (( segid "SAP " and resid 68 and name HA )) 2.900 1.100 1.100 peak 573 spectrum 1 weight 0.10000E+01 volume 0.19695E-02 ppm1 4.281 ppm2 2.366 CV 1 ASSI { 574} (( segid "SAP " and resid 68 and name HB1 )) (( segid "SAP " and resid 68 and name HA )) 2.700 0.900 0.900 peak 574 spectrum 1 weight 0.10000E+01 volume 0.29559E-02 ppm1 4.282 ppm2 2.800 CV 1 ASSI { 575} ( segid "SAP " and resid 106 and name HB% ) (( segid "SAP " and resid 68 and name HA )) 3.200 1.300 1.300 peak 575 spectrum 1 weight 0.10000E+01 volume 0.14129E-02 ppm1 4.283 ppm2 1.311 CV 1 ASSI { 576} (( segid "SAP " and resid 105 and name HB1 )) (( segid "SAP " and resid 105 and name HA )) 2.500 0.800 0.800 peak 576 spectrum 1 weight 0.10000E+01 volume 0.42656E-02 ppm1 4.370 ppm2 3.900 CV 1 ASSI { 577} ( segid "SAP " and resid 102 and name HD1%) (( segid "SAP " and resid 68 and name HB1 )) 3.200 1.300 1.300 peak 577 spectrum 1 weight 0.10000E+01 volume 0.15163E-02 ppm1 2.800 ppm2 0.644 CV 1 OR { 577} ( segid "SAP " and resid 102 and name HD2%) (( segid "SAP " and resid 68 and name HB1 )) ASSI { 578} ( segid "SAP " and resid 106 and name HB% ) (( segid "SAP " and resid 68 and name HB1 )) 2.800 1.000 1.000 peak 578 spectrum 1 weight 0.10000E+01 volume 0.23360E-02 ppm1 2.808 ppm2 1.313 CV 1 ASSI { 579} ( segid "SAP " and resid 106 and name HB% ) (( segid "SAP " and resid 68 and name HB2 )) 4.100 2.100 1.900 peak 579 spectrum 1 weight 0.10000E+01 volume 0.26094E-03 ppm1 2.359 ppm2 1.315 CV 1 ASSI { 580} (( segid "SAP " and resid 68 and name HB2 )) (( segid "SAP " and resid 68 and name HB1 )) 2.000 0.500 0.500 peak 580 spectrum 1 weight 0.10000E+01 volume 0.11530E-01 ppm1 2.801 ppm2 2.361 CV 1 ASSI { 585} ( segid "SAP " and resid 89 and name HD1%) (( segid "SAP " and resid 89 and name HG12)) 2.400 0.700 0.700 peak 585 spectrum 1 weight 0.10000E+01 volume 0.48654E-02 ppm1 1.242 ppm2 0.825 CV 1 OR { 585} ( segid "SAP " and resid 89 and name HG2%) (( segid "SAP " and resid 89 and name HG12)) ASSI { 586} (( segid "SAP " and resid 89 and name HG12)) (( segid "SAP " and resid 89 and name HG11)) 1.900 0.500 0.500 peak 586 spectrum 1 weight 0.10000E+01 volume 0.13563E-01 ppm1 1.549 ppm2 1.240 CV 1 ASSI { 592} (( segid "SAP " and resid 93 and name HG12)) (( segid "SAP " and resid 93 and name HG11)) 1.900 0.500 0.500 peak 592 spectrum 1 weight 0.10000E+01 volume 0.13397E-01 ppm1 1.667 ppm2 1.115 CV 1 ASSI { 594} ( segid "SAP " and resid 93 and name HD1%) (( segid "SAP " and resid 93 and name HG11)) 2.200 0.600 0.600 peak 594 spectrum 1 weight 0.10000E+01 volume 0.78980E-02 ppm1 1.667 ppm2 0.876 CV 1 ASSI { 596} (( segid "SAP " and resid 93 and name HB )) (( segid "SAP " and resid 93 and name HG11)) 2.200 0.600 0.600 peak 596 spectrum 1 weight 0.10000E+01 volume 0.74648E-02 ppm1 1.659 ppm2 2.054 CV 1 ASSI { 603} (( segid "SAP " and resid 91 and name HA )) (( segid "SAP " and resid 91 and name HD1 )) 3.300 1.400 1.400 peak 603 spectrum 1 weight 0.10000E+01 volume 0.91642E-03 ppm1 1.654 ppm2 4.112 CV 1 OR { 603} (( segid "SAP " and resid 91 and name HA )) (( segid "SAP " and resid 91 and name HD2 )) ASSI { 604} (( segid "SAP " and resid 95 and name HB2 )) (( segid "SAP " and resid 95 and name HB1 )) 1.600 0.300 0.600 peak 604 spectrum 1 weight 0.10000E+01 volume 0.47988E-01 ppm1 2.233 ppm2 2.138 CV 1 ASSI { 610} (( segid "SAP " and resid 95 and name HA )) (( segid "SAP " and resid 95 and name HB2 )) 2.600 0.800 0.800 peak 610 spectrum 1 weight 0.10000E+01 volume 0.35658E-02 ppm1 2.142 ppm2 4.261 CV 1 ASSI { 611} (( segid "SAP " and resid 120 and name HA )) (( segid "SAP " and resid 120 and name HB2 )) 2.600 0.800 0.800 peak 611 spectrum 1 weight 0.10000E+01 volume 0.39324E-02 ppm1 2.109 ppm2 4.124 CV 1 OR { 611} (( segid "SAP " and resid 120 and name HA )) (( segid "SAP " and resid 120 and name HB1 )) ASSI { 612} (( segid "SAP " and resid 117 and name HA )) (( segid "SAP " and resid 120 and name HB1 )) 2.800 1.000 1.000 peak 612 spectrum 1 weight 0.10000E+01 volume 0.25427E-02 ppm1 2.112 ppm2 4.334 CV 1 OR { 612} (( segid "SAP " and resid 117 and name HA )) (( segid "SAP " and resid 120 and name HB2 )) ASSI { 613} (( segid "SAP " and resid 120 and name HG2 )) (( segid "SAP " and resid 120 and name HB1 )) 1.900 0.400 0.400 peak 613 spectrum 1 weight 0.10000E+01 volume 0.26893E-01 ppm1 2.109 ppm2 2.352 CV 1 OR { 613} (( segid "SAP " and resid 120 and name HG2 )) (( segid "SAP " and resid 120 and name HB2 )) ASSI { 616} (( segid "SAP " and resid 78 and name HA )) (( segid "SAP " and resid 78 and name HG2 )) 3.300 1.400 1.400 peak 616 spectrum 1 weight 0.10000E+01 volume 0.10064E-02 ppm1 1.465 ppm2 4.295 CV 1 ASSI { 617} (( segid "SAP " and resid 78 and name HG2 )) (( segid "SAP " and resid 78 and name HG1 )) 1.900 0.400 0.400 peak 617 spectrum 1 weight 0.10000E+01 volume 0.17229E-01 ppm1 1.756 ppm2 1.469 CV 1 ASSI { 619} (( segid "SAP " and resid 78 and name HB1 )) (( segid "SAP " and resid 78 and name HG1 )) 3.200 1.300 1.300 peak 619 spectrum 1 weight 0.10000E+01 volume 0.15762E-02 ppm1 1.749 ppm2 2.228 CV 1 ASSI { 620} (( segid "SAP " and resid 78 and name HB1 )) (( segid "SAP " and resid 78 and name HG2 )) 3.700 1.700 1.700 peak 620 spectrum 1 weight 0.10000E+01 volume 0.35658E-03 ppm1 1.457 ppm2 2.223 CV 1 ASSI { 621} (( segid "SAP " and resid 78 and name HD2 )) (( segid "SAP " and resid 78 and name HG1 )) 3.800 1.800 1.800 peak 621 spectrum 1 weight 0.10000E+01 volume 0.39990E-03 ppm1 1.746 ppm2 3.077 CV 1 ASSI { 622} (( segid "SAP " and resid 78 and name HD1 )) (( segid "SAP " and resid 78 and name HG1 )) 3.700 1.700 1.700 peak 622 spectrum 1 weight 0.10000E+01 volume 0.43656E-03 ppm1 1.746 ppm2 3.627 CV 1 ASSI { 623} (( segid "SAP " and resid 78 and name HA )) (( segid "SAP " and resid 78 and name HG1 )) 4.100 2.100 1.900 peak 623 spectrum 1 weight 0.10000E+01 volume 0.24594E-03 ppm1 1.743 ppm2 4.298 CV 1 ASSI { 624} (( segid "SAP " and resid 116 and name HG2 )) (( segid "SAP " and resid 116 and name HD1 )) 3.100 1.200 1.200 peak 624 spectrum 1 weight 0.10000E+01 volume 0.15296E-02 ppm1 1.785 ppm2 1.164 CV 1 ASSI { 626} (( segid "SAP " and resid 116 and name HG2 )) (( segid "SAP " and resid 116 and name HD2 )) 2.300 0.700 0.700 peak 626 spectrum 1 weight 0.10000E+01 volume 0.67983E-02 ppm1 1.648 ppm2 1.163 CV 1 ASSI { 627} (( segid "SAP " and resid 65 and name HG2 )) (( segid "SAP " and resid 65 and name HB2 )) 2.000 0.500 0.500 peak 627 spectrum 1 weight 0.10000E+01 volume 0.17029E-01 ppm1 1.622 ppm2 1.930 CV 1 OR { 627} (( segid "SAP " and resid 65 and name HG1 )) (( segid "SAP " and resid 65 and name HB1 )) OR { 627} (( segid "SAP " and resid 65 and name HG2 )) (( segid "SAP " and resid 65 and name HB1 )) OR { 627} (( segid "SAP " and resid 65 and name HG1 )) (( segid "SAP " and resid 65 and name HB2 )) ASSI { 629} ( segid "SAP " and resid 80 and name HB% ) (( segid "SAP " and resid 65 and name HB2 )) 2.300 0.700 0.700 peak 629 spectrum 1 weight 0.10000E+01 volume 0.67316E-02 ppm1 1.625 ppm2 1.097 CV 1 OR { 629} ( segid "SAP " and resid 80 and name HB% ) (( segid "SAP " and resid 65 and name HB1 )) ASSI { 631} (( segid "SAP " and resid 75 and name HA )) (( segid "SAP " and resid 75 and name HB1 )) 3.200 1.300 1.300 peak 631 spectrum 1 weight 0.10000E+01 volume 0.10631E-02 ppm1 1.799 ppm2 4.125 CV 1 ASSI { 635} (( segid "SAP " and resid 75 and name HD1 )) (( segid "SAP " and resid 75 and name HB1 )) 4.300 2.300 1.700 peak 635 spectrum 1 weight 0.10000E+01 volume 0.29159E-03 ppm1 1.796 ppm2 3.274 CV 1 ASSI { 637} (( segid "SAP " and resid 90 and name HA )) (( segid "SAP " and resid 90 and name HB1 )) 3.000 1.200 1.200 peak 637 spectrum 1 weight 0.10000E+01 volume 0.18595E-02 ppm1 2.021 ppm2 3.642 CV 1 ASSI { 640} (( segid "SAP " and resid 87 and name HA )) (( segid "SAP " and resid 90 and name HB2 )) 3.000 1.200 1.200 peak 640 spectrum 1 weight 0.10000E+01 volume 0.17063E-02 ppm1 1.807 ppm2 3.849 CV 1 ASSI { 641} (( segid "SAP " and resid 90 and name HB2 )) (( segid "SAP " and resid 90 and name HB1 )) 1.900 0.500 0.500 peak 641 spectrum 1 weight 0.10000E+01 volume 0.14430E-01 ppm1 2.017 ppm2 1.810 CV 1 ASSI { 642} (( segid "SAP " and resid 90 and name HB1 )) (( segid "SAP " and resid 90 and name HB2 )) 1.800 0.400 0.400 peak 642 spectrum 1 weight 0.10000E+01 volume 0.25860E-01 ppm1 1.809 ppm2 2.017 CV 1 OR { 642} (( segid "SAP " and resid 90 and name HG1 )) (( segid "SAP " and resid 90 and name HB2 )) ASSI { 647} (( segid "SAP " and resid 75 and name HA )) (( segid "SAP " and resid 70 and name HG1 )) 5.100 3.300 0.900 peak 647 spectrum 1 weight 0.10000E+01 volume 0.18896E-03 ppm1 1.327 ppm2 4.129 CV 1 ASSI { 650} (( segid "SAP " and resid 103 and name HB2 )) (( segid "SAP " and resid 70 and name HG1 )) 3.200 1.300 1.300 peak 650 spectrum 1 weight 0.10000E+01 volume 0.83978E-03 ppm1 1.322 ppm2 2.082 CV 1 ASSI { 651} (( segid "SAP " and resid 70 and name HG1 )) (( segid "SAP " and resid 70 and name HG2 )) 1.900 0.500 0.500 peak 651 spectrum 1 weight 0.10000E+01 volume 0.13897E-01 ppm1 1.117 ppm2 1.321 CV 1 ASSI { 653} (( segid "SAP " and resid 100 and name HA )) (( segid "SAP " and resid 100 and name HG11)) 3.200 1.300 1.300 peak 653 spectrum 1 weight 0.10000E+01 volume 0.11630E-02 ppm1 1.471 ppm2 5.021 CV 1 ASSI { 655} (( segid "SAP " and resid 71 and name HG2 )) (( segid "SAP " and resid 100 and name HG11)) 3.300 1.400 1.400 peak 655 spectrum 1 weight 0.10000E+01 volume 0.14129E-02 ppm1 1.473 ppm2 2.120 CV 1 OR { 655} (( segid "SAP " and resid 71 and name HG1 )) (( segid "SAP " and resid 100 and name HG11)) OR { 655} (( segid "SAP " and resid 71 and name HB1 )) (( segid "SAP " and resid 100 and name HG11)) ASSI { 656} (( segid "SAP " and resid 71 and name HG2 )) (( segid "SAP " and resid 100 and name HG12)) 3.300 1.400 1.400 peak 656 spectrum 1 weight 0.10000E+01 volume 0.92980E-03 ppm1 0.874 ppm2 2.125 CV 1 OR { 656} (( segid "SAP " and resid 71 and name HG1 )) (( segid "SAP " and resid 100 and name HG12)) OR { 656} (( segid "SAP " and resid 71 and name HB1 )) (( segid "SAP " and resid 100 and name HG12)) ASSI { 657} (( segid "SAP " and resid 100 and name HG11)) (( segid "SAP " and resid 100 and name HG12)) 2.000 0.500 0.500 peak 657 spectrum 1 weight 0.10000E+01 volume 0.11997E-01 ppm1 0.879 ppm2 1.470 CV 1 ASSI { 659} ( segid "SAP " and resid 100 and name HD1%) (( segid "SAP " and resid 100 and name HG11)) 2.500 0.800 0.800 peak 659 spectrum 1 weight 0.10000E+01 volume 0.45988E-02 ppm1 1.469 ppm2 0.672 CV 1 ASSI { 660} ( segid "SAP " and resid 100 and name HG2%) (( segid "SAP " and resid 100 and name HG11)) 3.600 1.600 1.600 peak 660 spectrum 1 weight 0.10000E+01 volume 0.13064E-02 ppm1 1.471 ppm2 0.583 CV 1 ASSI { 661} ( segid "SAP " and resid 100 and name HG2%) (( segid "SAP " and resid 100 and name HG12)) 2.900 1.100 1.100 peak 661 spectrum 1 weight 0.10000E+01 volume 0.15196E-02 ppm1 0.877 ppm2 0.583 CV 1 ASSI { 662} ( segid "SAP " and resid 100 and name HD1%) (( segid "SAP " and resid 100 and name HG12)) 2.300 0.700 0.700 peak 662 spectrum 1 weight 0.10000E+01 volume 0.72648E-02 ppm1 0.877 ppm2 0.673 CV 1 ASSI { 663} (( segid "SAP " and resid 107 and name HB1 )) (( segid "SAP " and resid 107 and name HG1 )) 3.300 1.300 1.300 peak 663 spectrum 1 weight 0.10000E+01 volume 0.11963E-02 ppm1 1.710 ppm2 2.148 CV 1 ASSI { 664} (( segid "SAP " and resid 107 and name HB1 )) (( segid "SAP " and resid 107 and name HG2 )) 2.800 1.000 1.000 peak 664 spectrum 1 weight 0.10000E+01 volume 0.19029E-02 ppm1 1.603 ppm2 2.146 CV 1 ASSI { 665} (( segid "SAP " and resid 107 and name HD1 )) (( segid "SAP " and resid 107 and name HG2 )) 2.400 0.700 0.700 peak 665 spectrum 1 weight 0.10000E+01 volume 0.57986E-02 ppm1 1.603 ppm2 3.216 CV 1 OR { 665} (( segid "SAP " and resid 107 and name HD2 )) (( segid "SAP " and resid 107 and name HG2 )) ASSI { 667} ( segid "SAP " and resid 111 and name HD1%) (( segid "SAP " and resid 111 and name HA )) 5.300 3.500 0.700 peak 667 spectrum 1 weight 0.10000E+01 volume 0.13530E-03 ppm1 -0.038 ppm2 0.655 CV 1 ASSI { 668} ( segid "SAP " and resid 111 and name HG2%) (( segid "SAP " and resid 111 and name HA )) 2.700 0.900 0.900 peak 668 spectrum 1 weight 0.10000E+01 volume 0.26294E-02 ppm1 -0.040 ppm2 0.928 CV 1 ASSI { 669} ( segid "SAP " and resid 80 and name HB% ) (( segid "SAP " and resid 111 and name HA )) 4.600 2.600 1.400 peak 669 spectrum 1 weight 0.10000E+01 volume 0.12597E-03 ppm1 -0.044 ppm2 1.095 CV 1 ASSI { 670} (( segid "SAP " and resid 111 and name HG11)) (( segid "SAP " and resid 111 and name HA )) 4.400 2.400 1.600 peak 670 spectrum 1 weight 0.10000E+01 volume 0.20729E-03 ppm1 -0.037 ppm2 1.516 CV 1 ASSI { 673} ( segid "SAP " and resid 69 and name HD1%) (( segid "SAP " and resid 111 and name HA )) 4.500 2.500 1.500 peak 673 spectrum 1 weight 0.10000E+01 volume 0.23960E-03 ppm1 -0.036 ppm2 0.262 CV 1 ASSI { 675} (( segid "SAP " and resid 120 and name HG2 )) (( segid "SAP " and resid 120 and name HA )) 2.900 1.100 1.100 peak 675 spectrum 1 weight 0.10000E+01 volume 0.17196E-02 ppm1 4.125 ppm2 2.352 CV 1 ASSI { 678} ( segid "SAP " and resid 119 and name HG2%) (( segid "SAP " and resid 120 and name HA )) 3.400 1.400 1.400 peak 678 spectrum 1 weight 0.10000E+01 volume 0.82313E-03 ppm1 4.122 ppm2 0.868 CV 1 ASSI { 679} (( segid "SAP " and resid 89 and name HB )) (( segid "SAP " and resid 85 and name HA )) 3.500 1.500 1.500 peak 679 spectrum 1 weight 0.10000E+01 volume 0.77314E-03 ppm1 4.320 ppm2 1.740 CV 1 ASSI { 681} (( segid "SAP " and resid 85 and name HB1 )) (( segid "SAP " and resid 85 and name HA )) 3.400 1.400 1.400 peak 681 spectrum 1 weight 0.10000E+01 volume 0.10364E-02 ppm1 4.317 ppm2 3.008 CV 1 ASSI { 682} ( segid "SAP " and resid 111 and name HD1%) (( segid "SAP " and resid 85 and name HA )) 3.800 1.800 1.800 peak 682 spectrum 1 weight 0.10000E+01 volume 0.37990E-03 ppm1 4.320 ppm2 0.651 CV 1 ASSI { 683} ( segid "SAP " and resid 89 and name HD1%) (( segid "SAP " and resid 85 and name HA )) 2.900 1.000 1.000 peak 683 spectrum 1 weight 0.10000E+01 volume 0.21128E-02 ppm1 4.317 ppm2 0.818 CV 1 ASSI { 684} ( segid "SAP " and resid 111 and name HG2%) (( segid "SAP " and resid 85 and name HA )) 3.500 1.500 1.500 peak 684 spectrum 1 weight 0.10000E+01 volume 0.66317E-03 ppm1 4.321 ppm2 0.928 CV 1 ASSI { 686} (( segid "SAP " and resid 112 and name HB2 )) (( segid "SAP " and resid 112 and name HA )) 2.800 1.000 1.000 peak 686 spectrum 1 weight 0.10000E+01 volume 0.22728E-02 ppm1 5.003 ppm2 2.786 CV 1 ASSI { 687} (( segid "SAP " and resid 67 and name HB2 )) (( segid "SAP " and resid 112 and name HA )) 4.300 2.300 1.700 peak 687 spectrum 1 weight 0.10000E+01 volume 0.29126E-03 ppm1 5.008 ppm2 2.915 CV 1 ASSI { 688} (( segid "SAP " and resid 112 and name HB1 )) (( segid "SAP " and resid 112 and name HA )) 2.700 0.900 0.900 peak 688 spectrum 1 weight 0.10000E+01 volume 0.28826E-02 ppm1 5.003 ppm2 3.374 CV 1 ASSI { 689} (( segid "SAP " and resid 80 and name HA )) (( segid "SAP " and resid 112 and name HA )) 2.500 0.800 0.800 peak 689 spectrum 1 weight 0.10000E+01 volume 0.38324E-02 ppm1 5.003 ppm2 3.547 CV 1 ASSI { 690} ( segid "SAP " and resid 80 and name HB% ) (( segid "SAP " and resid 112 and name HA )) 4.300 2.300 1.700 peak 690 spectrum 1 weight 0.10000E+01 volume 0.33191E-03 ppm1 5.007 ppm2 1.092 CV 1 ASSI { 691} (( segid "SAP " and resid 116 and name HD2 )) (( segid "SAP " and resid 113 and name HA )) 4.000 2.000 2.000 peak 691 spectrum 1 weight 0.10000E+01 volume 0.38657E-03 ppm1 4.505 ppm2 1.646 CV 1 ASSI { 692} (( segid "SAP " and resid 116 and name HB2 )) (( segid "SAP " and resid 113 and name HA )) 3.000 1.100 1.100 peak 692 spectrum 1 weight 0.10000E+01 volume 0.25427E-02 ppm1 4.506 ppm2 1.890 CV 1 ASSI { 693} (( segid "SAP " and resid 116 and name HB1 )) (( segid "SAP " and resid 113 and name HA )) 2.300 0.700 0.700 peak 693 spectrum 1 weight 0.10000E+01 volume 0.56652E-02 ppm1 4.507 ppm2 2.079 CV 1 ASSI { 694} (( segid "SAP " and resid 113 and name HB1 )) (( segid "SAP " and resid 113 and name HA )) 2.600 0.800 0.800 peak 694 spectrum 1 weight 0.10000E+01 volume 0.41323E-02 ppm1 4.506 ppm2 2.637 CV 1 OR { 694} (( segid "SAP " and resid 113 and name HB2 )) (( segid "SAP " and resid 113 and name HA )) ASSI { 697} (( segid "SAP " and resid 116 and name HG1 )) (( segid "SAP " and resid 113 and name HA )) 5.100 3.300 0.900 peak 697 spectrum 1 weight 0.10000E+01 volume 0.17962E-03 ppm1 4.512 ppm2 1.409 CV 1 ASSI { 698} (( segid "SAP " and resid 116 and name HG2 )) (( segid "SAP " and resid 113 and name HA )) 5.500 3.700 0.500 peak 698 spectrum 1 weight 0.10000E+01 volume 0.10164E-03 ppm1 4.504 ppm2 1.165 CV 1 ASSI { 699} ( segid "SAP " and resid 122 and name HG1%) (( segid "SAP " and resid 123 and name HA )) 4.000 2.000 2.000 peak 699 spectrum 1 weight 0.10000E+01 volume 0.34325E-03 ppm1 4.189 ppm2 0.930 CV 1 ASSI { 700} (( segid "SAP " and resid 123 and name HG2 )) (( segid "SAP " and resid 123 and name HA )) 2.900 1.100 1.100 peak 700 spectrum 1 weight 0.10000E+01 volume 0.20062E-02 ppm1 4.188 ppm2 1.580 CV 1 ASSI { 701} (( segid "SAP " and resid 123 and name HG1 )) (( segid "SAP " and resid 123 and name HA )) 2.900 1.100 1.100 peak 701 spectrum 1 weight 0.10000E+01 volume 0.23728E-02 ppm1 4.189 ppm2 1.682 CV 1 ASSI { 702} (( segid "SAP " and resid 123 and name HB2 )) (( segid "SAP " and resid 123 and name HA )) 2.600 0.900 0.900 peak 702 spectrum 1 weight 0.10000E+01 volume 0.41656E-02 ppm1 4.188 ppm2 1.767 CV 1 ASSI { 703} (( segid "SAP " and resid 123 and name HB1 )) (( segid "SAP " and resid 123 and name HA )) 2.500 0.800 0.800 peak 703 spectrum 1 weight 0.10000E+01 volume 0.39324E-02 ppm1 4.189 ppm2 1.839 CV 1 ASSI { 705} ( segid "SAP " and resid 85 and name HD% ) (( segid "SAP " and resid 85 and name HA )) 2.700 0.900 0.900 peak 705 spectrum 1 weight 0.10000E+01 volume 0.24894E-02 ppm1 4.317 ppm2 -1.041 CV 1 ASSI { 707} (( segid "SAP " and resid 95 and name HB1 )) (( segid "SAP " and resid 95 and name HA )) 2.700 0.900 0.900 peak 707 spectrum 1 weight 0.10000E+01 volume 0.35991E-02 ppm1 4.261 ppm2 2.236 CV 1 ASSI { 708} (( segid "SAP " and resid 95 and name HG2 )) (( segid "SAP " and resid 95 and name HA )) 3.200 1.300 1.300 peak 708 spectrum 1 weight 0.10000E+01 volume 0.13963E-02 ppm1 4.261 ppm2 2.390 CV 1 ASSI { 710} (( segid "SAP " and resid 97 and name HG1 )) (( segid "SAP " and resid 97 and name HA )) 2.600 0.900 0.900 peak 710 spectrum 1 weight 0.10000E+01 volume 0.34658E-02 ppm1 4.112 ppm2 1.388 CV 1 OR { 710} (( segid "SAP " and resid 97 and name HG2 )) (( segid "SAP " and resid 97 and name HA )) ASSI { 711} (( segid "SAP " and resid 97 and name HB2 )) (( segid "SAP " and resid 97 and name HA )) 2.300 0.600 0.600 peak 711 spectrum 1 weight 0.10000E+01 volume 0.82313E-02 ppm1 4.110 ppm2 1.915 CV 1 OR { 711} (( segid "SAP " and resid 97 and name HB1 )) (( segid "SAP " and resid 97 and name HA )) ASSI { 712} ( segid "SAP " and resid 98 and name HG2%) (( segid "SAP " and resid 97 and name HA )) 4.500 2.500 1.500 peak 712 spectrum 1 weight 0.10000E+01 volume 0.28260E-03 ppm1 4.107 ppm2 0.909 CV 1 OR { 712} ( segid "SAP " and resid 98 and name HG1%) (( segid "SAP " and resid 97 and name HA )) ASSI { 713} (( segid "SAP " and resid 97 and name HD2 )) (( segid "SAP " and resid 97 and name HA )) 3.000 1.100 1.100 peak 713 spectrum 1 weight 0.10000E+01 volume 0.21195E-02 ppm1 4.110 ppm2 1.680 CV 1 OR { 713} (( segid "SAP " and resid 97 and name HD1 )) (( segid "SAP " and resid 97 and name HA )) ASSI { 715} (( segid "SAP " and resid 111 and name HG12)) (( segid "SAP " and resid 84 and name HA )) 3.200 1.300 1.300 peak 715 spectrum 1 weight 0.10000E+01 volume 0.90646E-03 ppm1 5.308 ppm2 0.876 CV 1 ASSI { 717} (( segid "SAP " and resid 70 and name HA )) (( segid "SAP " and resid 75 and name HA )) 2.400 0.700 0.700 peak 717 spectrum 1 weight 0.10000E+01 volume 0.55320E-02 ppm1 4.125 ppm2 4.773 CV 1 ASSI { 718} (( segid "SAP " and resid 75 and name HD2 )) (( segid "SAP " and resid 75 and name HA )) 2.800 0.900 0.900 peak 718 spectrum 1 weight 0.10000E+01 volume 0.26160E-02 ppm1 4.124 ppm2 3.186 CV 1 ASSI { 719} (( segid "SAP " and resid 75 and name HD1 )) (( segid "SAP " and resid 75 and name HA )) 3.100 1.200 1.200 peak 719 spectrum 1 weight 0.10000E+01 volume 0.10231E-02 ppm1 4.125 ppm2 3.267 CV 1 ASSI { 720} (( segid "SAP " and resid 75 and name HB1 )) (( segid "SAP " and resid 75 and name HA )) 2.500 0.800 0.800 peak 720 spectrum 1 weight 0.10000E+01 volume 0.56986E-02 ppm1 4.126 ppm2 1.788 CV 1 OR { 720} (( segid "SAP " and resid 75 and name HG1 )) (( segid "SAP " and resid 75 and name HA )) ASSI { 721} (( segid "SAP " and resid 75 and name HB2 )) (( segid "SAP " and resid 75 and name HA )) 2.500 0.800 0.800 peak 721 spectrum 1 weight 0.10000E+01 volume 0.38324E-02 ppm1 4.124 ppm2 1.632 CV 1 ASSI { 722} (( segid "SAP " and resid 70 and name HB2 )) (( segid "SAP " and resid 75 and name HA )) 4.400 2.400 1.600 peak 722 spectrum 1 weight 0.10000E+01 volume 0.41323E-03 ppm1 4.125 ppm2 1.231 CV 1 ASSI { 723} (( segid "SAP " and resid 70 and name HG2 )) (( segid "SAP " and resid 75 and name HA )) 2.700 0.900 0.900 peak 723 spectrum 1 weight 0.10000E+01 volume 0.20928E-02 ppm1 4.125 ppm2 1.113 CV 1 ASSI { 728} (( segid "SAP " and resid 78 and name HB1 )) (( segid "SAP " and resid 78 and name HA )) 3.300 1.300 1.300 peak 728 spectrum 1 weight 0.10000E+01 volume 0.11264E-02 ppm1 4.295 ppm2 2.228 CV 1 ASSI { 729} (( segid "SAP " and resid 117 and name HB2 )) (( segid "SAP " and resid 117 and name HA )) 2.600 0.800 0.800 peak 729 spectrum 1 weight 0.10000E+01 volume 0.33058E-02 ppm1 4.345 ppm2 2.646 CV 1 ASSI { 731} (( segid "SAP " and resid 116 and name HG2 )) (( segid "SAP " and resid 117 and name HA )) 4.200 2.200 1.800 peak 731 spectrum 1 weight 0.10000E+01 volume 0.18896E-03 ppm1 4.345 ppm2 1.160 CV 1 ASSI { 733} (( segid "SAP " and resid 72 and name HB1 )) (( segid "SAP " and resid 72 and name HA )) 2.700 0.900 0.900 peak 733 spectrum 1 weight 0.10000E+01 volume 0.30659E-02 ppm1 4.274 ppm2 3.033 CV 1 ASSI { 735} (( segid "SAP " and resid 99 and name HB1 )) (( segid "SAP " and resid 72 and name HA )) 2.300 0.700 0.700 peak 735 spectrum 1 weight 0.10000E+01 volume 0.78980E-02 ppm1 4.274 ppm2 1.895 CV 1 OR { 735} (( segid "SAP " and resid 99 and name HB2 )) (( segid "SAP " and resid 72 and name HA )) ASSI { 738} (( segid "SAP " and resid 96 and name HB1 )) (( segid "SAP " and resid 96 and name HA )) 2.200 0.600 0.600 peak 738 spectrum 1 weight 0.10000E+01 volume 0.80313E-02 ppm1 4.280 ppm2 1.939 CV 1 ASSI { 741} (( segid "SAP " and resid 65 and name HB1 )) (( segid "SAP " and resid 65 and name HA )) 2.400 0.700 0.700 peak 741 spectrum 1 weight 0.10000E+01 volume 0.64984E-02 ppm1 4.323 ppm2 1.623 CV 1 OR { 741} (( segid "SAP " and resid 65 and name HB2 )) (( segid "SAP " and resid 65 and name HA )) ASSI { 742} (( segid "SAP " and resid 65 and name HG1 )) (( segid "SAP " and resid 65 and name HA )) 2.700 0.900 0.900 peak 742 spectrum 1 weight 0.10000E+01 volume 0.31259E-02 ppm1 4.321 ppm2 1.938 CV 1 OR { 742} (( segid "SAP " and resid 65 and name HG2 )) (( segid "SAP " and resid 65 and name HA )) ASSI { 744} ( segid "SAP " and resid 98 and name HG2%) (( segid "SAP " and resid 99 and name HA )) 4.600 2.600 1.400 peak 744 spectrum 1 weight 0.10000E+01 volume 0.24494E-03 ppm1 4.431 ppm2 0.911 CV 1 OR { 744} ( segid "SAP " and resid 98 and name HG1%) (( segid "SAP " and resid 99 and name HA )) ASSI { 745} (( segid "SAP " and resid 99 and name HG2 )) (( segid "SAP " and resid 99 and name HA )) 3.000 1.100 1.100 peak 745 spectrum 1 weight 0.10000E+01 volume 0.16096E-02 ppm1 4.430 ppm2 1.341 CV 1 ASSI { 746} (( segid "SAP " and resid 99 and name HG1 )) (( segid "SAP " and resid 99 and name HA )) 3.600 1.600 1.600 peak 746 spectrum 1 weight 0.10000E+01 volume 0.70982E-03 ppm1 4.431 ppm2 1.439 CV 1 ASSI { 747} (( segid "SAP " and resid 99 and name HD1 )) (( segid "SAP " and resid 99 and name HA )) 3.600 1.700 1.700 peak 747 spectrum 1 weight 0.10000E+01 volume 0.75981E-03 ppm1 4.432 ppm2 1.637 CV 1 OR { 747} (( segid "SAP " and resid 99 and name HD2 )) (( segid "SAP " and resid 99 and name HA )) ASSI { 748} (( segid "SAP " and resid 99 and name HB1 )) (( segid "SAP " and resid 99 and name HA )) 2.400 0.700 0.700 peak 748 spectrum 1 weight 0.10000E+01 volume 0.52653E-02 ppm1 4.429 ppm2 1.885 CV 1 OR { 748} (( segid "SAP " and resid 99 and name HB2 )) (( segid "SAP " and resid 99 and name HA )) ASSI { 749} ( segid "SAP " and resid 69 and name HD2%) (( segid "SAP " and resid 102 and name HA )) 2.800 1.000 1.000 peak 749 spectrum 1 weight 0.10000E+01 volume 0.23694E-02 ppm1 3.789 ppm2 -0.118 CV 1 ASSI { 750} ( segid "SAP " and resid 102 and name HD1%) (( segid "SAP " and resid 102 and name HA )) 2.500 0.800 0.800 peak 750 spectrum 1 weight 0.10000E+01 volume 0.44655E-02 ppm1 3.789 ppm2 0.646 CV 1 OR { 750} ( segid "SAP " and resid 102 and name HD2%) (( segid "SAP " and resid 102 and name HA )) ASSI { 751} (( segid "SAP " and resid 102 and name HB2 )) (( segid "SAP " and resid 102 and name HA )) 2.700 0.900 0.900 peak 751 spectrum 1 weight 0.10000E+01 volume 0.24627E-02 ppm1 3.793 ppm2 0.892 CV 1 ASSI { 752} (( segid "SAP " and resid 102 and name HG )) (( segid "SAP " and resid 102 and name HA )) 3.500 1.500 1.500 peak 752 spectrum 1 weight 0.10000E+01 volume 0.66983E-03 ppm1 3.792 ppm2 1.053 CV 1 ASSI { 754} (( segid "SAP " and resid 69 and name HA )) (( segid "SAP " and resid 102 and name HA )) 2.800 1.000 1.000 peak 754 spectrum 1 weight 0.10000E+01 volume 0.22061E-02 ppm1 3.790 ppm2 4.586 CV 1 ASSI { 755} (( segid "SAP " and resid 108 and name HB1 )) (( segid "SAP " and resid 108 and name HA )) 2.400 0.700 0.700 peak 755 spectrum 1 weight 0.10000E+01 volume 0.55986E-02 ppm1 4.654 ppm2 3.207 CV 1 ASSI { 756} ( segid "SAP " and resid 109 and name HD2%) (( segid "SAP " and resid 108 and name HA )) 4.000 2.000 2.000 peak 756 spectrum 1 weight 0.10000E+01 volume 0.19895E-03 ppm1 4.656 ppm2 0.846 CV 1 OR { 756} ( segid "SAP " and resid 109 and name HD1%) (( segid "SAP " and resid 108 and name HA )) ASSI { 757} ( segid "SAP " and resid 102 and name HD1%) (( segid "SAP " and resid 102 and name HG )) 2.500 0.800 0.800 peak 757 spectrum 1 weight 0.10000E+01 volume 0.43656E-02 ppm1 1.058 ppm2 0.661 CV 1 OR { 757} ( segid "SAP " and resid 102 and name HD2%) (( segid "SAP " and resid 102 and name HG )) ASSI { 758} ( segid "SAP " and resid 66 and name HD2%) (( segid "SAP " and resid 66 and name HG )) 2.800 1.000 1.000 peak 758 spectrum 1 weight 0.10000E+01 volume 0.23728E-02 ppm1 1.676 ppm2 0.666 CV 1 ASSI { 761} ( segid "SAP " and resid 69 and name HD2%) (( segid "SAP " and resid 69 and name HG )) 2.700 0.900 0.900 peak 761 spectrum 1 weight 0.10000E+01 volume 0.25527E-02 ppm1 1.680 ppm2 -0.115 CV 1 ASSI { 762} ( segid "SAP " and resid 69 and name HD1%) (( segid "SAP " and resid 69 and name HG )) 2.000 0.500 0.500 peak 762 spectrum 1 weight 0.10000E+01 volume 0.14996E-01 ppm1 1.680 ppm2 0.265 CV 1 ASSI { 764} ( segid "SAP " and resid 100 and name HG2%) ( segid "SAP " and resid 69 and name HD1%) 2.700 0.900 0.900 peak 764 spectrum 1 weight 0.10000E+01 volume 0.32625E-02 ppm1 0.263 ppm2 0.584 CV 1 ASSI { 766} ( segid "SAP " and resid 119 and name HD1%) ( segid "SAP " and resid 69 and name HD1%) 2.700 0.900 0.900 peak 766 spectrum 1 weight 0.10000E+01 volume 0.24227E-02 ppm1 0.264 ppm2 0.779 CV 1 ASSI { 767} ( segid "SAP " and resid 111 and name HG2%) ( segid "SAP " and resid 69 and name HD1%) 2.600 0.800 0.800 peak 767 spectrum 1 weight 0.10000E+01 volume 0.38657E-02 ppm1 0.263 ppm2 0.926 CV 1 ASSI { 768} (( segid "SAP " and resid 69 and name HB1 )) ( segid "SAP " and resid 69 and name HD1%) 2.400 0.700 0.700 peak 768 spectrum 1 weight 0.10000E+01 volume 0.57319E-02 ppm1 0.264 ppm2 1.569 CV 1 ASSI { 775} ( segid "SAP " and resid 69 and name HD2%) ( segid "SAP " and resid 69 and name HD1%) 2.600 0.800 0.800 peak 775 spectrum 1 weight 0.10000E+01 volume 0.35658E-02 ppm1 0.263 ppm2 -0.119 CV 1 ASSI { 776} (( segid "SAP " and resid 102 and name HA )) ( segid "SAP " and resid 102 and name HD1%) 4.500 2.500 1.500 peak 776 spectrum 1 weight 0.10000E+01 volume 0.15163E-03 ppm1 0.679 ppm2 3.785 CV 1 ASSI { 777} (( segid "SAP " and resid 104 and name HA )) ( segid "SAP " and resid 102 and name HD1%) 4.300 2.300 1.700 peak 777 spectrum 1 weight 0.10000E+01 volume 0.12997E-03 ppm1 0.680 ppm2 3.923 CV 1 ASSI { 778} (( segid "SAP " and resid 102 and name HB1 )) ( segid "SAP " and resid 102 and name HD1%) 2.800 1.000 1.000 peak 778 spectrum 1 weight 0.10000E+01 volume 0.26627E-02 ppm1 0.679 ppm2 1.507 CV 1 ASSI { 780} (( segid "SAP " and resid 102 and name HG )) ( segid "SAP " and resid 102 and name HD1%) 2.500 0.800 0.800 peak 780 spectrum 1 weight 0.10000E+01 volume 0.46322E-02 ppm1 0.680 ppm2 1.050 CV 1 ASSI { 781} ( segid "SAP " and resid 85 and name HD% ) ( segid "SAP " and resid 102 and name HD1%) 4.400 2.400 1.600 peak 781 spectrum 1 weight 0.10000E+01 volume 0.15796E-03 ppm1 0.678 ppm2 -1.033 CV 1 ASSI { 785} (( segid "SAP " and resid 109 and name HB1 )) ( segid "SAP " and resid 109 and name HD1%) 2.700 0.900 0.900 peak 785 spectrum 1 weight 0.10000E+01 volume 0.27026E-02 ppm1 0.833 ppm2 1.800 CV 1 ASSI { 787} (( segid "SAP " and resid 118 and name HA )) ( segid "SAP " and resid 118 and name HD1%) 5.000 3.100 1.000 peak 787 spectrum 1 weight 0.10000E+01 volume 0.15563E-03 ppm1 0.831 ppm2 3.932 CV 1 ASSI { 788} (( segid "SAP " and resid 115 and name HA )) ( segid "SAP " and resid 118 and name HD1%) 4.000 2.000 2.000 peak 788 spectrum 1 weight 0.10000E+01 volume 0.33325E-03 ppm1 0.833 ppm2 4.051 CV 1 ASSI { 789} (( segid "SAP " and resid 111 and name HG11)) (( segid "SAP " and resid 111 and name HG12)) 1.900 0.400 0.400 peak 789 spectrum 1 weight 0.10000E+01 volume 0.16362E-01 ppm1 0.878 ppm2 1.515 CV 1 ASSI { 791} ( segid "SAP " and resid 111 and name HD1%) (( segid "SAP " and resid 111 and name HG11)) 2.400 0.700 0.700 peak 791 spectrum 1 weight 0.10000E+01 volume 0.60651E-02 ppm1 1.515 ppm2 0.653 CV 1 ASSI { 793} (( segid "SAP " and resid 111 and name HB )) (( segid "SAP " and resid 111 and name HG11)) 2.600 0.800 0.800 peak 793 spectrum 1 weight 0.10000E+01 volume 0.30825E-02 ppm1 1.517 ppm2 2.053 CV 1 ASSI { 796} (( segid "SAP " and resid 66 and name HA )) ( segid "SAP " and resid 66 and name HD1%) 3.800 1.800 1.800 peak 796 spectrum 1 weight 0.10000E+01 volume 0.44322E-03 ppm1 0.877 ppm2 4.608 CV 1 ASSI { 797} (( segid "SAP " and resid 96 and name HE1 )) (( segid "SAP " and resid 96 and name HG1 )) 3.600 1.600 1.600 peak 797 spectrum 1 weight 0.10000E+01 volume 0.57986E-03 ppm1 1.586 ppm2 2.996 CV 1 OR { 797} (( segid "SAP " and resid 96 and name HE2 )) (( segid "SAP " and resid 96 and name HG1 )) ASSI { 798} (( segid "SAP " and resid 96 and name HE2 )) (( segid "SAP " and resid 96 and name HG2 )) 3.400 1.400 1.400 peak 798 spectrum 1 weight 0.10000E+01 volume 0.96310E-03 ppm1 1.454 ppm2 2.996 CV 1 OR { 798} (( segid "SAP " and resid 96 and name HE1 )) (( segid "SAP " and resid 96 and name HG2 )) ASSI { 799} (( segid "SAP " and resid 96 and name HA )) (( segid "SAP " and resid 96 and name HG2 )) 3.200 1.300 1.300 peak 799 spectrum 1 weight 0.10000E+01 volume 0.98978E-03 ppm1 1.455 ppm2 4.282 CV 1 ASSI { 800} (( segid "SAP " and resid 96 and name HG2 )) (( segid "SAP " and resid 96 and name HG1 )) 1.600 0.300 0.600 peak 800 spectrum 1 weight 0.10000E+01 volume 0.34991E-01 ppm1 1.585 ppm2 1.456 CV 1 ASSI { 802} (( segid "SAP " and resid 96 and name HB1 )) (( segid "SAP " and resid 96 and name HG1 )) 2.800 1.000 1.000 peak 802 spectrum 1 weight 0.10000E+01 volume 0.24494E-02 ppm1 1.585 ppm2 1.938 CV 1 ASSI { 803} (( segid "SAP " and resid 96 and name HB1 )) (( segid "SAP " and resid 96 and name HG2 )) 2.400 0.700 0.700 peak 803 spectrum 1 weight 0.10000E+01 volume 0.57319E-02 ppm1 1.454 ppm2 1.938 CV 1 ASSI { 807} (( segid "SAP " and resid 104 and name HA )) (( segid "SAP " and resid 104 and name HG2 )) 3.500 1.500 1.500 peak 807 spectrum 1 weight 0.10000E+01 volume 0.75314E-03 ppm1 1.403 ppm2 3.918 CV 1 ASSI { 814} (( segid "SAP " and resid 99 and name HE1 )) (( segid "SAP " and resid 99 and name HG2 )) 4.000 2.000 2.000 peak 814 spectrum 1 weight 0.10000E+01 volume 0.34658E-03 ppm1 1.339 ppm2 2.937 CV 1 OR { 814} (( segid "SAP " and resid 99 and name HE2 )) (( segid "SAP " and resid 99 and name HG2 )) ASSI { 816} (( segid "SAP " and resid 102 and name HB2 )) ( segid "SAP " and resid 102 and name HD2%) 2.400 0.700 0.700 peak 816 spectrum 1 weight 0.10000E+01 volume 0.63650E-02 ppm1 0.647 ppm2 0.854 CV 1 ASSI { 817} (( segid "SAP " and resid 102 and name HG )) ( segid "SAP " and resid 102 and name HD2%) 2.600 0.800 0.800 peak 817 spectrum 1 weight 0.10000E+01 volume 0.38657E-02 ppm1 0.646 ppm2 1.050 CV 1 ASSI { 819} (( segid "SAP " and resid 102 and name HB1 )) ( segid "SAP " and resid 102 and name HD2%) 3.500 1.500 1.500 peak 819 spectrum 1 weight 0.10000E+01 volume 0.67649E-03 ppm1 0.646 ppm2 1.505 CV 1 ASSI { 820} ( segid "SAP " and resid 69 and name HD2%) ( segid "SAP " and resid 102 and name HD2%) 3.600 1.700 1.700 peak 820 spectrum 1 weight 0.10000E+01 volume 0.50321E-03 ppm1 0.646 ppm2 -0.119 CV 1 ASSI { 821} ( segid "SAP " and resid 85 and name HD% ) ( segid "SAP " and resid 102 and name HD2%) 3.600 1.600 1.600 peak 821 spectrum 1 weight 0.10000E+01 volume 0.52653E-03 ppm1 0.645 ppm2 -1.043 CV 1 ASSI { 822} ( segid "SAP " and resid 85 and name HE% ) ( segid "SAP " and resid 102 and name HD2%) 4.200 2.200 1.800 peak 822 spectrum 1 weight 0.10000E+01 volume 0.20228E-03 ppm1 0.646 ppm2 -0.937 CV 1 ASSI { 823} (( segid "SAP " and resid 85 and name HB2 )) ( segid "SAP " and resid 102 and name HD2%) 4.700 2.800 1.300 peak 823 spectrum 1 weight 0.10000E+01 volume 0.10464E-03 ppm1 0.642 ppm2 2.639 CV 1 ASSI { 825} (( segid "SAP " and resid 85 and name HB1 )) ( segid "SAP " and resid 102 and name HD2%) 4.100 2.100 1.900 peak 825 spectrum 1 weight 0.10000E+01 volume 0.24861E-03 ppm1 0.644 ppm2 3.002 CV 1 ASSI { 826} (( segid "SAP " and resid 102 and name HA )) ( segid "SAP " and resid 102 and name HD2%) 2.800 1.000 1.000 peak 826 spectrum 1 weight 0.10000E+01 volume 0.27759E-02 ppm1 0.645 ppm2 3.789 CV 1 ASSI { 827} (( segid "SAP " and resid 104 and name HA )) ( segid "SAP " and resid 102 and name HD2%) 4.100 2.100 1.900 peak 827 spectrum 1 weight 0.10000E+01 volume 0.17995E-03 ppm1 0.645 ppm2 3.913 CV 1 ASSI { 829} (( segid "SAP " and resid 109 and name HA )) ( segid "SAP " and resid 102 and name HD2%) 3.800 1.800 1.800 peak 829 spectrum 1 weight 0.10000E+01 volume 0.37324E-03 ppm1 0.645 ppm2 5.040 CV 1 ASSI { 830} (( segid "SAP " and resid 118 and name HB2 )) ( segid "SAP " and resid 118 and name HD2%) 3.400 1.400 1.400 peak 830 spectrum 1 weight 0.10000E+01 volume 0.16996E-02 ppm1 0.784 ppm2 1.281 CV 1 ASSI { 831} (( segid "SAP " and resid 118 and name HG )) ( segid "SAP " and resid 118 and name HD2%) 3.200 1.300 1.300 peak 831 spectrum 1 weight 0.10000E+01 volume 0.91307E-03 ppm1 0.783 ppm2 1.434 CV 1 ASSI { 832} (( segid "SAP " and resid 118 and name HB1 )) ( segid "SAP " and resid 118 and name HD2%) 3.000 1.100 1.100 peak 832 spectrum 1 weight 0.10000E+01 volume 0.12264E-02 ppm1 0.781 ppm2 1.588 CV 1 ASSI { 833} (( segid "SAP " and resid 119 and name HG11)) ( segid "SAP " and resid 118 and name HD2%) 3.800 1.800 1.800 peak 833 spectrum 1 weight 0.10000E+01 volume 0.34325E-03 ppm1 0.784 ppm2 1.772 CV 1 ASSI { 834} (( segid "SAP " and resid 115 and name HD2 )) ( segid "SAP " and resid 118 and name HD2%) 3.500 1.500 1.500 peak 834 spectrum 1 weight 0.10000E+01 volume 0.72648E-03 ppm1 0.781 ppm2 -1.157 CV 1 ASSI { 836} (( segid "SAP " and resid 115 and name HA )) ( segid "SAP " and resid 118 and name HD2%) 4.000 2.000 2.000 peak 836 spectrum 1 weight 0.10000E+01 volume 0.51321E-03 ppm1 0.781 ppm2 4.037 CV 1 ASSI { 837} ( segid "SAP " and resid 114 and name HE% ) ( segid "SAP " and resid 118 and name HD2%) 4.000 2.000 2.000 peak 837 spectrum 1 weight 0.10000E+01 volume 0.49321E-03 ppm1 0.786 ppm2 6.472 CV 1 ASSI { 838} (( segid "SAP " and resid 109 and name HB2 )) ( segid "SAP " and resid 109 and name HD2%) 3.100 1.200 1.200 peak 838 spectrum 1 weight 0.10000E+01 volume 0.20662E-02 ppm1 0.849 ppm2 1.297 CV 1 ASSI { 839} (( segid "SAP " and resid 109 and name HG )) ( segid "SAP " and resid 109 and name HD2%) 2.400 0.700 0.700 peak 839 spectrum 1 weight 0.10000E+01 volume 0.57319E-02 ppm1 0.850 ppm2 1.393 CV 1 ASSI { 840} (( segid "SAP " and resid 109 and name HB1 )) ( segid "SAP " and resid 109 and name HD2%) 2.800 0.900 0.900 peak 840 spectrum 1 weight 0.10000E+01 volume 0.23594E-02 ppm1 0.850 ppm2 1.801 CV 1 ASSI { 841} ( segid "SAP " and resid 85 and name HD% ) ( segid "SAP " and resid 109 and name HD2%) 3.600 1.600 1.600 peak 841 spectrum 1 weight 0.10000E+01 volume 0.56319E-03 ppm1 0.851 ppm2 -1.042 CV 1 ASSI { 842} ( segid "SAP " and resid 85 and name HE% ) ( segid "SAP " and resid 109 and name HD2%) 4.800 2.900 1.200 peak 842 spectrum 1 weight 0.10000E+01 volume 0.10631E-03 ppm1 0.848 ppm2 -0.935 CV 1 ASSI { 843} ( segid "SAP " and resid 102 and name HD2%) ( segid "SAP " and resid 109 and name HD2%) 2.200 0.600 0.600 peak 843 spectrum 1 weight 0.10000E+01 volume 0.94645E-02 ppm1 0.847 ppm2 0.653 CV 1 OR { 843} ( segid "SAP " and resid 102 and name HD1%) ( segid "SAP " and resid 109 and name HD2%) ASSI { 844} (( segid "SAP " and resid 85 and name HB2 )) ( segid "SAP " and resid 109 and name HD2%) 4.100 2.100 1.900 peak 844 spectrum 1 weight 0.10000E+01 volume 0.45655E-03 ppm1 0.848 ppm2 2.637 CV 1 ASSI { 845} (( segid "SAP " and resid 85 and name HB1 )) ( segid "SAP " and resid 109 and name HD2%) 3.000 1.200 1.200 peak 845 spectrum 1 weight 0.10000E+01 volume 0.12963E-02 ppm1 0.849 ppm2 3.006 CV 1 ASSI { 846} (( segid "SAP " and resid 109 and name HA )) ( segid "SAP " and resid 109 and name HD2%) 2.600 0.800 0.800 peak 846 spectrum 1 weight 0.10000E+01 volume 0.39324E-02 ppm1 0.849 ppm2 5.037 CV 1 ASSI { 847} (( segid "SAP " and resid 116 and name HG2 )) (( segid "SAP " and resid 116 and name HG1 )) 1.900 0.500 0.500 peak 847 spectrum 1 weight 0.10000E+01 volume 0.13030E-01 ppm1 1.408 ppm2 1.161 CV 1 ASSI { 851} (( segid "SAP " and resid 116 and name HD1 )) (( segid "SAP " and resid 116 and name HG1 )) 2.900 1.000 1.000 peak 851 spectrum 1 weight 0.10000E+01 volume 0.16962E-02 ppm1 1.409 ppm2 1.772 CV 1 ASSI { 853} (( segid "SAP " and resid 116 and name HB2 )) (( segid "SAP " and resid 116 and name HG1 )) 2.300 0.600 0.600 peak 853 spectrum 1 weight 0.10000E+01 volume 0.61318E-02 ppm1 1.409 ppm2 1.888 CV 1 ASSI { 854} (( segid "SAP " and resid 116 and name HB2 )) (( segid "SAP " and resid 116 and name HG2 )) 3.400 1.500 1.500 peak 854 spectrum 1 weight 0.10000E+01 volume 0.11364E-02 ppm1 1.165 ppm2 1.884 CV 1 ASSI { 856} (( segid "SAP " and resid 116 and name HB1 )) (( segid "SAP " and resid 116 and name HG2 )) 2.900 1.000 1.000 peak 856 spectrum 1 weight 0.10000E+01 volume 0.14563E-02 ppm1 1.163 ppm2 2.082 CV 1 ASSI { 857} (( segid "SAP " and resid 116 and name HE1 )) (( segid "SAP " and resid 116 and name HG1 )) 4.200 2.200 1.800 peak 857 spectrum 1 weight 0.10000E+01 volume 0.29826E-03 ppm1 1.409 ppm2 2.902 CV 1 OR { 857} (( segid "SAP " and resid 116 and name HE2 )) (( segid "SAP " and resid 116 and name HG1 )) ASSI { 861} ( segid "SAP " and resid 69 and name HD2%) (( segid "SAP " and resid 69 and name HA )) 2.400 0.700 0.700 peak 861 spectrum 1 weight 0.10000E+01 volume 0.47655E-02 ppm1 4.585 ppm2 -0.118 CV 1 ASSI { 862} ( segid "SAP " and resid 69 and name HD1%) (( segid "SAP " and resid 69 and name HA )) 4.600 2.600 1.400 peak 862 spectrum 1 weight 0.10000E+01 volume 0.31958E-03 ppm1 4.584 ppm2 0.267 CV 1 ASSI { 863} (( segid "SAP " and resid 69 and name HB2 )) (( segid "SAP " and resid 69 and name HA )) 2.600 0.800 0.800 peak 863 spectrum 1 weight 0.10000E+01 volume 0.49321E-02 ppm1 4.588 ppm2 0.691 CV 1 ASSI { 864} (( segid "SAP " and resid 69 and name HB1 )) (( segid "SAP " and resid 69 and name HA )) 2.700 0.900 0.900 peak 864 spectrum 1 weight 0.10000E+01 volume 0.23861E-02 ppm1 4.590 ppm2 1.562 CV 1 ASSI { 865} (( segid "SAP " and resid 69 and name HG )) (( segid "SAP " and resid 69 and name HA )) 3.100 1.200 1.200 peak 865 spectrum 1 weight 0.10000E+01 volume 0.14097E-02 ppm1 4.587 ppm2 1.676 CV 1 ASSI { 867} (( segid "SAP " and resid 74 and name HB2 )) (( segid "SAP " and resid 74 and name HA )) 2.700 0.900 0.900 peak 867 spectrum 1 weight 0.10000E+01 volume 0.33658E-02 ppm1 4.640 ppm2 1.871 CV 1 ASSI { 868} (( segid "SAP " and resid 74 and name HB1 )) (( segid "SAP " and resid 74 and name HA )) 2.700 0.900 0.900 peak 868 spectrum 1 weight 0.10000E+01 volume 0.29626E-02 ppm1 4.640 ppm2 2.024 CV 1 ASSI { 869} (( segid "SAP " and resid 74 and name HG2 )) (( segid "SAP " and resid 74 and name HA )) 3.400 1.400 1.400 peak 869 spectrum 1 weight 0.10000E+01 volume 0.88981E-03 ppm1 4.638 ppm2 2.153 CV 1 ASSI { 872} ( segid "SAP " and resid 66 and name HD2%) (( segid "SAP " and resid 66 and name HA )) 2.500 0.800 0.800 peak 872 spectrum 1 weight 0.10000E+01 volume 0.55986E-02 ppm1 4.606 ppm2 0.661 CV 1 ASSI { 874} ( segid "SAP " and resid 80 and name HB% ) (( segid "SAP " and resid 66 and name HA )) 4.200 2.200 1.800 peak 874 spectrum 1 weight 0.10000E+01 volume 0.22794E-03 ppm1 4.608 ppm2 1.097 CV 1 ASSI { 875} ( segid "SAP " and resid 79 and name HB% ) (( segid "SAP " and resid 66 and name HA )) 4.900 3.000 1.100 peak 875 spectrum 1 weight 0.10000E+01 volume 0.15063E-03 ppm1 4.607 ppm2 1.337 CV 1 ASSI { 876} (( segid "SAP " and resid 66 and name HB2 )) (( segid "SAP " and resid 66 and name HA )) 2.700 0.900 0.900 peak 876 spectrum 1 weight 0.10000E+01 volume 0.33325E-02 ppm1 4.607 ppm2 1.530 CV 1 ASSI { 877} (( segid "SAP " and resid 66 and name HB1 )) (( segid "SAP " and resid 66 and name HA )) 2.600 0.800 0.800 peak 877 spectrum 1 weight 0.10000E+01 volume 0.38324E-02 ppm1 4.607 ppm2 1.666 CV 1 OR { 877} (( segid "SAP " and resid 66 and name HG )) (( segid "SAP " and resid 66 and name HA )) ASSI { 879} (( segid "SAP " and resid 103 and name HB1 )) (( segid "SAP " and resid 103 and name HA )) 3.500 1.500 1.500 peak 879 spectrum 1 weight 0.10000E+01 volume 0.83644E-03 ppm1 4.524 ppm2 2.831 CV 1 ASSI { 880} ( segid "SAP " and resid 102 and name HD1%) (( segid "SAP " and resid 109 and name HA )) 3.600 1.600 1.600 peak 880 spectrum 1 weight 0.10000E+01 volume 0.52320E-03 ppm1 5.039 ppm2 0.653 CV 1 OR { 880} ( segid "SAP " and resid 102 and name HD2%) (( segid "SAP " and resid 109 and name HA )) ASSI { 881} (( segid "SAP " and resid 100 and name HG12)) (( segid "SAP " and resid 71 and name HA )) 3.000 1.100 1.100 peak 881 spectrum 1 weight 0.10000E+01 volume 0.12530E-02 ppm1 5.091 ppm2 0.874 CV 1 ASSI { 883} (( segid "SAP " and resid 109 and name HG )) (( segid "SAP " and resid 109 and name HA )) 3.400 1.500 1.500 peak 883 spectrum 1 weight 0.10000E+01 volume 0.77314E-03 ppm1 5.039 ppm2 1.390 CV 1 ASSI { 884} (( segid "SAP " and resid 109 and name HB1 )) (( segid "SAP " and resid 109 and name HA )) 2.700 0.900 0.900 peak 884 spectrum 1 weight 0.10000E+01 volume 0.24061E-02 ppm1 5.039 ppm2 1.799 CV 1 ASSI { 885} (( segid "SAP " and resid 70 and name HG2 )) (( segid "SAP " and resid 70 and name HA )) 2.900 1.000 1.000 peak 885 spectrum 1 weight 0.10000E+01 volume 0.16463E-02 ppm1 4.775 ppm2 1.113 CV 1 ASSI { 886} (( segid "SAP " and resid 70 and name HB2 )) (( segid "SAP " and resid 70 and name HA )) 3.000 1.100 1.100 peak 886 spectrum 1 weight 0.10000E+01 volume 0.23627E-02 ppm1 4.774 ppm2 1.234 CV 1 ASSI { 887} (( segid "SAP " and resid 70 and name HG1 )) (( segid "SAP " and resid 70 and name HA )) 3.300 1.400 1.400 peak 887 spectrum 1 weight 0.10000E+01 volume 0.10631E-02 ppm1 4.774 ppm2 1.312 CV 1 ASSI { 888} (( segid "SAP " and resid 70 and name HB1 )) (( segid "SAP " and resid 70 and name HA )) 3.000 1.100 1.100 peak 888 spectrum 1 weight 0.10000E+01 volume 0.12730E-02 ppm1 4.775 ppm2 1.400 CV 1 ASSI { 889} (( segid "SAP " and resid 75 and name HG1 )) (( segid "SAP " and resid 70 and name HA )) 4.300 2.400 1.700 peak 889 spectrum 1 weight 0.10000E+01 volume 0.27260E-03 ppm1 4.779 ppm2 1.793 CV 1 OR { 889} (( segid "SAP " and resid 75 and name HB1 )) (( segid "SAP " and resid 70 and name HA )) OR { 889} (( segid "SAP " and resid 75 and name HG2 )) (( segid "SAP " and resid 70 and name HA )) ASSI { 891} (( segid "SAP " and resid 100 and name HG11)) (( segid "SAP " and resid 71 and name HA )) 4.200 2.200 1.800 peak 891 spectrum 1 weight 0.10000E+01 volume 0.41656E-03 ppm1 5.094 ppm2 1.460 CV 1 ASSI { 893} (( segid "SAP " and resid 71 and name HB1 )) (( segid "SAP " and resid 71 and name HA )) 2.600 0.800 0.800 peak 893 spectrum 1 weight 0.10000E+01 volume 0.44655E-02 ppm1 5.093 ppm2 2.128 CV 1 OR { 893} (( segid "SAP " and resid 71 and name HG2 )) (( segid "SAP " and resid 71 and name HA )) OR { 893} (( segid "SAP " and resid 71 and name HG1 )) (( segid "SAP " and resid 71 and name HA )) ASSI { 894} ( segid "SAP " and resid 100 and name HG2%) (( segid "SAP " and resid 71 and name HA )) 4.600 2.700 1.400 peak 894 spectrum 1 weight 0.10000E+01 volume 0.13830E-03 ppm1 5.095 ppm2 0.585 CV 1 ASSI { 895} ( segid "SAP " and resid 100 and name HD1%) (( segid "SAP " and resid 71 and name HA )) 3.900 1.900 1.900 peak 895 spectrum 1 weight 0.10000E+01 volume 0.52653E-03 ppm1 5.091 ppm2 0.671 CV 1 ASSI { 900} (( segid "SAP " and resid 101 and name HB2 )) (( segid "SAP " and resid 101 and name HA )) 2.800 1.000 1.000 peak 900 spectrum 1 weight 0.10000E+01 volume 0.29893E-02 ppm1 4.621 ppm2 1.779 CV 1 ASSI { 901} (( segid "SAP " and resid 101 and name HB1 )) (( segid "SAP " and resid 101 and name HA )) 2.500 0.800 0.800 peak 901 spectrum 1 weight 0.10000E+01 volume 0.47655E-02 ppm1 4.620 ppm2 1.923 CV 1 ASSI { 902} (( segid "SAP " and resid 101 and name HG1 )) (( segid "SAP " and resid 101 and name HA )) 3.300 1.400 1.400 peak 902 spectrum 1 weight 0.10000E+01 volume 0.11630E-02 ppm1 4.621 ppm2 2.078 CV 1 ASSI { 903} ( segid "SAP " and resid 100 and name HG2%) (( segid "SAP " and resid 101 and name HA )) 4.100 2.100 1.900 peak 903 spectrum 1 weight 0.10000E+01 volume 0.25460E-03 ppm1 4.620 ppm2 0.582 CV 1 ASSI { 904} ( segid "SAP " and resid 66 and name HD2%) (( segid "SAP " and resid 79 and name HA )) 2.800 1.000 1.000 peak 904 spectrum 1 weight 0.10000E+01 volume 0.24294E-02 ppm1 4.168 ppm2 0.661 CV 1 ASSI { 905} ( segid "SAP " and resid 66 and name HD1%) (( segid "SAP " and resid 79 and name HA )) 4.400 2.500 1.600 peak 905 spectrum 1 weight 0.10000E+01 volume 0.15696E-03 ppm1 4.164 ppm2 0.874 CV 1 ASSI { 906} ( segid "SAP " and resid 80 and name HB% ) (( segid "SAP " and resid 79 and name HA )) 4.500 2.500 1.500 peak 906 spectrum 1 weight 0.10000E+01 volume 0.24128E-03 ppm1 4.161 ppm2 1.090 CV 1 ASSI { 908} (( segid "SAP " and resid 66 and name HG )) (( segid "SAP " and resid 79 and name HA )) 4.100 2.100 1.900 peak 908 spectrum 1 weight 0.10000E+01 volume 0.35658E-03 ppm1 4.170 ppm2 1.681 CV 1 OR { 908} (( segid "SAP " and resid 66 and name HB1 )) (( segid "SAP " and resid 79 and name HA )) ASSI { 909} ( segid "SAP " and resid 106 and name HB% ) (( segid "SAP " and resid 106 and name HA )) 2.200 0.600 0.600 peak 909 spectrum 1 weight 0.10000E+01 volume 0.10264E-01 ppm1 4.141 ppm2 1.311 CV 1 ASSI { 910} ( segid "SAP " and resid 80 and name HB% ) (( segid "SAP " and resid 80 and name HA )) 2.400 0.700 0.700 peak 910 spectrum 1 weight 0.10000E+01 volume 0.55320E-02 ppm1 3.547 ppm2 1.093 CV 1 ASSI { 913} (( segid "SAP " and resid 112 and name HB2 )) (( segid "SAP " and resid 80 and name HA )) 4.400 2.400 1.600 peak 913 spectrum 1 weight 0.10000E+01 volume 0.30859E-03 ppm1 3.549 ppm2 2.793 CV 1 ASSI { 914} ( segid "SAP " and resid 83 and name HB% ) (( segid "SAP " and resid 83 and name HA )) 2.300 0.700 0.700 peak 914 spectrum 1 weight 0.10000E+01 volume 0.70982E-02 ppm1 4.573 ppm2 1.483 CV 1 ASSI { 915} (( segid "SAP " and resid 66 and name HA )) (( segid "SAP " and resid 79 and name HA )) 2.400 0.700 0.700 peak 915 spectrum 1 weight 0.10000E+01 volume 0.53320E-02 ppm1 4.168 ppm2 4.608 CV 1 ASSI { 916} ( segid "SAP " and resid 79 and name HB% ) ( segid "SAP " and resid 66 and name HD2%) 3.200 1.200 1.200 peak 916 spectrum 1 weight 0.10000E+01 volume 0.86312E-03 ppm1 0.662 ppm2 1.332 CV 1 ASSI { 917} (( segid "SAP " and resid 66 and name HB2 )) ( segid "SAP " and resid 66 and name HD2%) 3.000 1.100 1.100 peak 917 spectrum 1 weight 0.10000E+01 volume 0.19162E-02 ppm1 0.662 ppm2 1.531 CV 1 ASSI { 918} (( segid "SAP " and resid 66 and name HG )) ( segid "SAP " and resid 66 and name HD2%) 2.500 0.800 0.800 peak 918 spectrum 1 weight 0.10000E+01 volume 0.45988E-02 ppm1 0.662 ppm2 1.666 CV 1 OR { 918} (( segid "SAP " and resid 66 and name HB1 )) ( segid "SAP " and resid 66 and name HD2%) ASSI { 923} ( segid "SAP " and resid 100 and name HG2%) ( segid "SAP " and resid 69 and name HD2%) 2.700 0.900 0.900 peak 923 spectrum 1 weight 0.10000E+01 volume 0.25793E-02 ppm1 -0.115 ppm2 0.586 CV 1 ASSI { 929} (( segid "SAP " and resid 69 and name HB1 )) ( segid "SAP " and resid 69 and name HD2%) 3.400 1.400 1.400 peak 929 spectrum 1 weight 0.10000E+01 volume 0.65650E-03 ppm1 -0.116 ppm2 1.568 CV 1 ASSI { 931} (( segid "SAP " and resid 85 and name HB2 )) ( segid "SAP " and resid 69 and name HD2%) 4.600 2.600 1.400 peak 931 spectrum 1 weight 0.10000E+01 volume 0.12797E-03 ppm1 -0.113 ppm2 2.643 CV 1 ASSI { 934} (( segid "SAP " and resid 93 and name HA )) ( segid "SAP " and resid 98 and name HG2%) 3.300 1.400 1.400 peak 934 spectrum 1 weight 0.10000E+01 volume 0.86647E-03 ppm1 0.910 ppm2 3.919 CV 1 ASSI { 935} (( segid "SAP " and resid 98 and name HA )) ( segid "SAP " and resid 98 and name HG2%) 3.300 1.400 1.400 peak 935 spectrum 1 weight 0.10000E+01 volume 0.12897E-02 ppm1 0.908 ppm2 4.345 CV 1 ASSI { 936} (( segid "SAP " and resid 100 and name HB )) ( segid "SAP " and resid 98 and name HG2%) 2.800 0.900 0.900 peak 936 spectrum 1 weight 0.10000E+01 volume 0.22994E-02 ppm1 0.910 ppm2 1.473 CV 1 OR { 936} (( segid "SAP " and resid 100 and name HG11)) ( segid "SAP " and resid 98 and name HG2%) ASSI { 938} (( segid "SAP " and resid 96 and name HB2 )) ( segid "SAP " and resid 98 and name HG2%) 2.900 1.100 1.100 peak 938 spectrum 1 weight 0.10000E+01 volume 0.15696E-02 ppm1 0.910 ppm2 1.822 CV 1 ASSI { 940} (( segid "SAP " and resid 98 and name HB )) ( segid "SAP " and resid 98 and name HG2%) 2.400 0.700 0.700 peak 940 spectrum 1 weight 0.10000E+01 volume 0.47655E-02 ppm1 0.910 ppm2 2.064 CV 1 ASSI { 944} (( segid "SAP " and resid 96 and name HB2 )) ( segid "SAP " and resid 98 and name HG1%) 3.000 1.100 1.100 peak 944 spectrum 1 weight 0.10000E+01 volume 0.15230E-02 ppm1 0.916 ppm2 1.826 CV 1 ASSI { 946} (( segid "SAP " and resid 98 and name HB )) ( segid "SAP " and resid 98 and name HG1%) 2.300 0.700 0.700 peak 946 spectrum 1 weight 0.10000E+01 volume 0.61985E-02 ppm1 0.916 ppm2 2.067 CV 1 ASSI { 947} (( segid "SAP " and resid 122 and name HB )) ( segid "SAP " and resid 122 and name HG1%) 2.200 0.600 0.600 peak 947 spectrum 1 weight 0.10000E+01 volume 0.10197E-01 ppm1 0.922 ppm2 2.146 CV 1 ASSI { 949} (( segid "SAP " and resid 122 and name HA )) ( segid "SAP " and resid 122 and name HG1%) 2.800 1.000 1.000 peak 949 spectrum 1 weight 0.10000E+01 volume 0.24061E-02 ppm1 0.922 ppm2 4.023 CV 1 ASSI { 951} (( segid "SAP " and resid 119 and name HA )) ( segid "SAP " and resid 122 and name HG2%) 3.600 1.600 1.600 peak 951 spectrum 1 weight 0.10000E+01 volume 0.53987E-03 ppm1 0.965 ppm2 3.473 CV 1 ASSI { 953} (( segid "SAP " and resid 122 and name HA )) ( segid "SAP " and resid 122 and name HG2%) 2.900 1.000 1.000 peak 953 spectrum 1 weight 0.10000E+01 volume 0.22194E-02 ppm1 0.963 ppm2 4.023 CV 1 ASSI { 959} (( segid "SAP " and resid 122 and name HB )) ( segid "SAP " and resid 122 and name HG2%) 2.500 0.800 0.800 peak 959 spectrum 1 weight 0.10000E+01 volume 0.49987E-02 ppm1 0.966 ppm2 2.149 CV 1 ASSI { 963} (( segid "SAP " and resid 100 and name HB )) ( segid "SAP " and resid 100 and name HG2%) 2.400 0.700 0.700 peak 963 spectrum 1 weight 0.10000E+01 volume 0.54320E-02 ppm1 0.585 ppm2 1.469 CV 1 ASSI { 965} (( segid "SAP " and resid 71 and name HG2 )) ( segid "SAP " and resid 100 and name HG2%) 4.300 2.300 1.700 peak 965 spectrum 1 weight 0.10000E+01 volume 0.25160E-03 ppm1 0.579 ppm2 2.115 CV 1 OR { 965} (( segid "SAP " and resid 71 and name HB1 )) ( segid "SAP " and resid 100 and name HG2%) OR { 965} (( segid "SAP " and resid 71 and name HG1 )) ( segid "SAP " and resid 100 and name HG2%) ASSI { 975} (( segid "SAP " and resid 81 and name HA2 )) ( segid "SAP " and resid 80 and name HB% ) 5.100 3.200 0.900 peak 975 spectrum 1 weight 0.10000E+01 volume 0.79646E-04 ppm1 1.093 ppm2 3.812 CV 1 ASSI { 980} ( segid "SAP " and resid 69 and name HD2%) ( segid "SAP " and resid 111 and name HG2%) 3.100 1.200 1.200 peak 980 spectrum 1 weight 0.10000E+01 volume 0.16696E-02 ppm1 0.930 ppm2 -0.118 CV 1 ASSI { 982} ( segid "SAP " and resid 111 and name HD1%) ( segid "SAP " and resid 111 and name HG2%) 2.400 0.700 0.700 peak 982 spectrum 1 weight 0.10000E+01 volume 0.54987E-02 ppm1 0.929 ppm2 0.653 CV 1 ASSI { 983} ( segid "SAP " and resid 85 and name HD% ) ( segid "SAP " and resid 111 and name HG2%) 4.100 2.100 1.900 peak 983 spectrum 1 weight 0.10000E+01 volume 0.21061E-03 ppm1 0.931 ppm2 -1.041 CV 1 ASSI { 985} (( segid "SAP " and resid 69 and name HG )) ( segid "SAP " and resid 111 and name HG2%) 2.700 0.900 0.900 peak 985 spectrum 1 weight 0.10000E+01 volume 0.26960E-02 ppm1 0.929 ppm2 1.679 CV 1 ASSI { 986} (( segid "SAP " and resid 111 and name HB )) ( segid "SAP " and resid 111 and name HG2%) 2.500 0.800 0.800 peak 986 spectrum 1 weight 0.10000E+01 volume 0.38990E-02 ppm1 0.928 ppm2 2.053 CV 1 ASSI { 988} (( segid "SAP " and resid 85 and name HB1 )) ( segid "SAP " and resid 111 and name HG2%) 4.700 2.700 1.300 peak 988 spectrum 1 weight 0.10000E+01 volume 0.29792E-03 ppm1 0.930 ppm2 3.012 CV 1 ASSI { 991} (( segid "SAP " and resid 84 and name HA )) ( segid "SAP " and resid 111 and name HG2%) 4.800 2.800 1.200 peak 991 spectrum 1 weight 0.10000E+01 volume 0.11130E-03 ppm1 0.927 ppm2 5.315 CV 1 ASSI { 996} ( segid "SAP " and resid 111 and name HD1%) ( segid "SAP " and resid 83 and name HB% ) 2.800 1.000 1.000 peak 996 spectrum 1 weight 0.10000E+01 volume 0.25127E-02 ppm1 1.482 ppm2 0.648 CV 1 ASSI { 997} (( segid "SAP " and resid 111 and name HG12)) ( segid "SAP " and resid 83 and name HB% ) 2.900 1.000 1.000 peak 997 spectrum 1 weight 0.10000E+01 volume 0.21394E-02 ppm1 1.484 ppm2 0.875 CV 1 ASSI { 998} (( segid "SAP " and resid 116 and name HD1 )) ( segid "SAP " and resid 83 and name HB% ) 2.600 0.800 0.800 peak 998 spectrum 1 weight 0.10000E+01 volume 0.35991E-02 ppm1 1.484 ppm2 1.783 CV 1 ASSI { 999} (( segid "SAP " and resid 116 and name HB2 )) ( segid "SAP " and resid 83 and name HB% ) 3.000 1.100 1.100 peak 999 spectrum 1 weight 0.10000E+01 volume 0.15762E-02 ppm1 1.483 ppm2 1.891 CV 1 ASSI { 1001} (( segid "SAP " and resid 116 and name HE1 )) ( segid "SAP " and resid 83 and name HB% ) 3.700 1.700 1.700 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.51987E-03 ppm1 1.484 ppm2 2.904 CV 1 OR { 1001} (( segid "SAP " and resid 116 and name HE2 )) ( segid "SAP " and resid 83 and name HB% ) ASSI { 1002} (( segid "SAP " and resid 116 and name HA )) ( segid "SAP " and resid 83 and name HB% ) 4.900 3.000 1.100 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.12763E-03 ppm1 1.480 ppm2 3.719 CV 1 ASSI { 1004} ( segid "SAP " and resid 102 and name HD1%) ( segid "SAP " and resid 106 and name HB% ) 3.300 1.400 1.400 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.90981E-03 ppm1 1.329 ppm2 0.658 CV 1 OR { 1004} ( segid "SAP " and resid 102 and name HD2%) ( segid "SAP " and resid 106 and name HB% ) ASSI { 1006} (( segid "SAP " and resid 63 and name HA )) ( segid "SAP " and resid 63 and name HB% ) 2.700 0.900 0.900 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.30126E-02 ppm1 1.282 ppm2 4.190 CV 1 ASSI { 1007} (( segid "SAP " and resid 88 and name HD1 )) ( segid "SAP " and resid 89 and name HG2%) 4.900 3.000 1.100 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.11297E-03 ppm1 0.811 ppm2 3.132 CV 1 OR { 1007} (( segid "SAP " and resid 88 and name HD2 )) ( segid "SAP " and resid 89 and name HG2%) ASSI { 1010} (( segid "SAP " and resid 85 and name HA )) ( segid "SAP " and resid 89 and name HG2%) 3.500 1.500 1.500 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.80313E-03 ppm1 0.811 ppm2 4.316 CV 1 ASSI { 1011} ( segid "SAP " and resid 85 and name HD% ) ( segid "SAP " and resid 89 and name HG2%) 3.100 1.200 1.200 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.11364E-02 ppm1 0.812 ppm2 -1.038 CV 1 ASSI { 1012} ( segid "SAP " and resid 85 and name HE% ) ( segid "SAP " and resid 89 and name HG2%) 3.000 1.100 1.100 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.13730E-02 ppm1 0.812 ppm2 -0.937 CV 1 ASSI { 1013} (( segid "SAP " and resid 89 and name HG11)) ( segid "SAP " and resid 89 and name HG2%) 3.200 1.300 1.300 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.16162E-02 ppm1 0.810 ppm2 1.550 CV 1 ASSI { 1014} (( segid "SAP " and resid 89 and name HB )) ( segid "SAP " and resid 89 and name HG2%) 2.400 0.700 0.700 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.50987E-02 ppm1 0.811 ppm2 1.739 CV 1 ASSI { 1015} (( segid "SAP " and resid 119 and name HB )) ( segid "SAP " and resid 89 and name HG2%) 3.500 1.500 1.500 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.83644E-03 ppm1 0.811 ppm2 1.859 CV 1 ASSI { 1017} (( segid "SAP " and resid 88 and name HD1 )) ( segid "SAP " and resid 119 and name HG2%) 3.500 1.500 1.500 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.62651E-03 ppm1 0.870 ppm2 3.135 CV 1 OR { 1017} (( segid "SAP " and resid 88 and name HD2 )) ( segid "SAP " and resid 119 and name HG2%) ASSI { 1018} (( segid "SAP " and resid 119 and name HA )) ( segid "SAP " and resid 119 and name HG2%) 2.900 1.000 1.000 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.19395E-02 ppm1 0.869 ppm2 3.469 CV 1 ASSI { 1019} (( segid "SAP " and resid 89 and name HA )) ( segid "SAP " and resid 119 and name HG2%) 3.500 1.500 1.500 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.66317E-03 ppm1 0.869 ppm2 3.689 CV 1 ASSI { 1020} (( segid "SAP " and resid 92 and name HB1 )) ( segid "SAP " and resid 119 and name HG2%) 2.900 1.100 1.100 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.18829E-02 ppm1 0.870 ppm2 3.923 CV 1 OR { 1020} (( segid "SAP " and resid 92 and name HB2 )) ( segid "SAP " and resid 119 and name HG2%) ASSI { 1022} (( segid "SAP " and resid 93 and name HG11)) ( segid "SAP " and resid 119 and name HG2%) 2.800 1.000 1.000 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.23394E-02 ppm1 0.870 ppm2 1.671 CV 1 ASSI { 1023} (( segid "SAP " and resid 119 and name HB )) ( segid "SAP " and resid 119 and name HG2%) 2.400 0.700 0.700 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.58319E-02 ppm1 0.870 ppm2 1.864 CV 1 ASSI { 1024} (( segid "SAP " and resid 100 and name HB )) ( segid "SAP " and resid 93 and name HG2%) 2.900 1.100 1.100 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.17562E-02 ppm1 1.024 ppm2 1.472 CV 1 ASSI { 1025} (( segid "SAP " and resid 93 and name HG11)) ( segid "SAP " and resid 93 and name HG2%) 3.500 1.500 1.500 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.14729E-02 ppm1 1.025 ppm2 1.677 CV 1 ASSI { 1026} (( segid "SAP " and resid 96 and name HB2 )) ( segid "SAP " and resid 93 and name HG2%) 3.500 1.500 1.500 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.74648E-03 ppm1 1.024 ppm2 1.833 CV 1 ASSI { 1038} (( segid "SAP " and resid 105 and name HA )) (( segid "SAP " and resid 105 and name HB2 )) 2.600 0.800 0.800 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.45655E-02 ppm1 3.839 ppm2 4.370 CV 1 ASSI { 1039} (( segid "SAP " and resid 104 and name HD2 )) (( segid "SAP " and resid 104 and name HA )) 3.200 1.300 1.300 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.16362E-02 ppm1 3.920 ppm2 1.644 CV 1 OR { 1039} (( segid "SAP " and resid 104 and name HD1 )) (( segid "SAP " and resid 104 and name HA )) ASSI { 1041} (( segid "SAP " and resid 75 and name HD2 )) (( segid "SAP " and resid 103 and name HB2 )) 4.800 2.800 1.200 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.15030E-03 ppm1 2.079 ppm2 3.178 CV 1 ASSI { 1042} (( segid "SAP " and resid 114 and name HB2 )) (( segid "SAP " and resid 78 and name HD1 )) 3.100 1.200 1.200 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.11064E-02 ppm1 3.629 ppm2 2.970 CV 1 ASSI { 1043} (( segid "SAP " and resid 114 and name HB2 )) (( segid "SAP " and resid 78 and name HD2 )) 2.400 0.700 0.700 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.48321E-02 ppm1 3.079 ppm2 2.973 CV 1 ASSI { 1044} (( segid "SAP " and resid 123 and name HD1 )) (( segid "SAP " and resid 123 and name HG1 )) 2.700 0.900 0.900 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.32025E-02 ppm1 1.680 ppm2 3.134 CV 1 OR { 1044} (( segid "SAP " and resid 123 and name HD2 )) (( segid "SAP " and resid 123 and name HG1 )) ASSI { 1050} (( segid "SAP " and resid 109 and name HA )) (( segid "SAP " and resid 68 and name HB1 )) 4.400 2.400 1.600 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.15230E-03 ppm1 2.801 ppm2 5.036 CV 1 ASSI { 1051} ( segid "SAP " and resid 102 and name HD1%) (( segid "SAP " and resid 68 and name HB2 )) 4.400 2.400 1.600 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.14897E-03 ppm1 2.373 ppm2 0.644 CV 1 OR { 1051} ( segid "SAP " and resid 102 and name HD2%) (( segid "SAP " and resid 68 and name HB2 )) ASSI { 1053} (( segid "SAP " and resid 103 and name HB2 )) ( segid "SAP " and resid 106 and name HB% ) 4.900 3.000 1.100 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.17229E-03 ppm1 1.307 ppm2 2.073 CV 1 ASSI { 1058} (( segid "SAP " and resid 67 and name HB1 )) (( segid "SAP " and resid 76 and name HB1 )) 2.600 0.800 0.800 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.26127E-02 ppm1 3.036 ppm2 3.172 CV 1 ASSI { 1059} (( segid "SAP " and resid 67 and name HB1 )) (( segid "SAP " and resid 76 and name HB2 )) 3.800 1.800 1.800 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.12064E-02 ppm1 2.842 ppm2 3.163 CV 1 ASSI { 1} (( segid "SAP " and resid 75 and name HB2 )) (( segid "SAP " and resid 75 and name HN )) 2.500 0.800 0.800 peak 1 spectrum 1 weight 0.10000E+01 volume 0.48002E-02 ppm1 9.001 ppm2 1.615 CV 1 ASSI { 2} (( segid "SAP " and resid 75 and name HB1 )) (( segid "SAP " and resid 75 and name HN )) 2.400 0.700 0.700 peak 2 spectrum 1 weight 0.10000E+01 volume 0.78485E-02 ppm1 9.000 ppm2 1.774 CV 1 OR { 2} (( segid "SAP " and resid 75 and name HG2 )) (( segid "SAP " and resid 75 and name HN )) ASSI { 3} (( segid "SAP " and resid 74 and name HB1 )) (( segid "SAP " and resid 75 and name HN )) 3.300 1.300 1.300 peak 3 spectrum 1 weight 0.10000E+01 volume 0.11002E-02 ppm1 9.003 ppm2 2.011 CV 1 ASSI { 4} (( segid "SAP " and resid 75 and name HA )) (( segid "SAP " and resid 75 and name HN )) 3.200 1.300 1.300 peak 4 spectrum 1 weight 0.10000E+01 volume 0.10932E-02 ppm1 9.002 ppm2 4.100 CV 1 ASSI { 5} (( segid "SAP " and resid 74 and name HA )) (( segid "SAP " and resid 75 and name HN )) 2.400 0.700 0.700 peak 5 spectrum 1 weight 0.10000E+01 volume 0.55360E-02 ppm1 9.000 ppm2 4.621 CV 1 ASSI { 6} ( segid "SAP " and resid 98 and name HG2%) (( segid "SAP " and resid 99 and name HN )) 3.700 1.700 1.700 peak 6 spectrum 1 weight 0.10000E+01 volume 0.12789E-02 ppm1 8.959 ppm2 0.888 CV 1 OR { 6} ( segid "SAP " and resid 98 and name HG1%) (( segid "SAP " and resid 99 and name HN )) ASSI { 7} (( segid "SAP " and resid 99 and name HG2 )) (( segid "SAP " and resid 99 and name HN )) 3.300 1.400 1.400 peak 7 spectrum 1 weight 0.10000E+01 volume 0.10686E-02 ppm1 8.960 ppm2 1.328 CV 1 ASSI { 8} (( segid "SAP " and resid 99 and name HG1 )) (( segid "SAP " and resid 99 and name HN )) 2.900 1.100 1.100 peak 8 spectrum 1 weight 0.10000E+01 volume 0.14821E-02 ppm1 8.959 ppm2 1.419 CV 1 ASSI { 9} (( segid "SAP " and resid 99 and name HD2 )) (( segid "SAP " and resid 99 and name HN )) 3.800 1.800 1.800 peak 9 spectrum 1 weight 0.10000E+01 volume 0.68324E-03 ppm1 8.959 ppm2 1.615 CV 1 OR { 9} (( segid "SAP " and resid 99 and name HD1 )) (( segid "SAP " and resid 99 and name HN )) ASSI { 10} (( segid "SAP " and resid 99 and name HB2 )) (( segid "SAP " and resid 99 and name HN )) 2.400 0.700 0.700 peak 10 spectrum 1 weight 0.10000E+01 volume 0.55009E-02 ppm1 8.958 ppm2 1.865 CV 1 OR { 10} (( segid "SAP " and resid 99 and name HB1 )) (( segid "SAP " and resid 99 and name HN )) ASSI { 11} (( segid "SAP " and resid 98 and name HB )) (( segid "SAP " and resid 99 and name HN )) 2.700 0.900 0.900 peak 11 spectrum 1 weight 0.10000E+01 volume 0.20883E-02 ppm1 8.960 ppm2 2.049 CV 1 ASSI { 12} (( segid "SAP " and resid 98 and name HA )) (( segid "SAP " and resid 99 and name HN )) 2.200 0.600 0.600 peak 12 spectrum 1 weight 0.10000E+01 volume 0.94253E-02 ppm1 8.959 ppm2 4.332 CV 1 ASSI { 13} ( segid "SAP " and resid 63 and name HB% ) (( segid "SAP " and resid 64 and name HN )) 3.500 1.500 1.500 peak 13 spectrum 1 weight 0.10000E+01 volume 0.83040E-03 ppm1 8.339 ppm2 1.294 CV 1 ASSI { 14} (( segid "SAP " and resid 64 and name HA2 )) (( segid "SAP " and resid 64 and name HN )) 2.500 0.800 0.800 peak 14 spectrum 1 weight 0.10000E+01 volume 0.51155E-02 ppm1 8.339 ppm2 3.798 CV 1 ASSI { 15} (( segid "SAP " and resid 63 and name HA )) (( segid "SAP " and resid 64 and name HN )) 2.700 0.900 0.900 peak 15 spectrum 1 weight 0.10000E+01 volume 0.35037E-02 ppm1 8.339 ppm2 4.185 CV 1 ASSI { 16} (( segid "SAP " and resid 65 and name HN )) (( segid "SAP " and resid 64 and name HN )) 2.900 1.100 1.100 peak 16 spectrum 1 weight 0.10000E+01 volume 0.19516E-02 ppm1 8.340 ppm2 7.941 CV 1 ASSI { 17} ( segid "SAP " and resid 69 and name HD2%) (( segid "SAP " and resid 103 and name HN )) 4.400 2.400 1.600 peak 17 spectrum 1 weight 0.10000E+01 volume 0.31885E-03 ppm1 8.770 ppm2 -0.146 CV 1 ASSI { 18} ( segid "SAP " and resid 102 and name HD2%) (( segid "SAP " and resid 103 and name HN )) 2.900 1.100 1.100 peak 18 spectrum 1 weight 0.10000E+01 volume 0.24106E-02 ppm1 8.772 ppm2 0.629 CV 1 ASSI { 19} (( segid "SAP " and resid 102 and name HB2 )) (( segid "SAP " and resid 103 and name HN )) 4.200 2.200 1.800 peak 19 spectrum 1 weight 0.10000E+01 volume 0.43447E-03 ppm1 8.773 ppm2 0.886 CV 1 ASSI { 20} (( segid "SAP " and resid 102 and name HG )) (( segid "SAP " and resid 103 and name HN )) 3.900 1.900 1.900 peak 20 spectrum 1 weight 0.10000E+01 volume 0.37491E-03 ppm1 8.772 ppm2 1.049 CV 1 ASSI { 22} (( segid "SAP " and resid 103 and name HB2 )) (( segid "SAP " and resid 103 and name HN )) 2.900 1.000 1.000 peak 22 spectrum 1 weight 0.10000E+01 volume 0.23966E-02 ppm1 8.772 ppm2 2.059 CV 1 ASSI { 23} (( segid "SAP " and resid 103 and name HB1 )) (( segid "SAP " and resid 103 and name HN )) 2.700 0.900 0.900 peak 23 spectrum 1 weight 0.10000E+01 volume 0.31954E-02 ppm1 8.772 ppm2 2.800 CV 1 ASSI { 24} (( segid "SAP " and resid 102 and name HA )) (( segid "SAP " and resid 103 and name HN )) 2.300 0.700 0.700 peak 24 spectrum 1 weight 0.10000E+01 volume 0.65521E-02 ppm1 8.772 ppm2 3.770 CV 1 ASSI { 25} (( segid "SAP " and resid 103 and name HA )) (( segid "SAP " and resid 103 and name HN )) 2.900 1.000 1.000 peak 25 spectrum 1 weight 0.10000E+01 volume 0.22109E-02 ppm1 8.771 ppm2 4.549 CV 1 ASSI { 26} ( segid "SAP " and resid 66 and name HD2%) (( segid "SAP " and resid 66 and name HN )) 3.900 1.900 1.900 peak 26 spectrum 1 weight 0.10000E+01 volume 0.44498E-03 ppm1 8.744 ppm2 0.647 CV 1 ASSI { 27} ( segid "SAP " and resid 66 and name HD1%) (( segid "SAP " and resid 66 and name HN )) 4.100 2.100 1.900 peak 27 spectrum 1 weight 0.10000E+01 volume 0.44498E-03 ppm1 8.747 ppm2 0.859 CV 1 ASSI { 28} (( segid "SAP " and resid 66 and name HB2 )) (( segid "SAP " and resid 66 and name HN )) 2.700 0.900 0.900 peak 28 spectrum 1 weight 0.10000E+01 volume 0.26174E-02 ppm1 8.742 ppm2 1.514 CV 1 ASSI { 30} (( segid "SAP " and resid 65 and name HG1 )) (( segid "SAP " and resid 66 and name HN )) 4.200 2.200 1.800 peak 30 spectrum 1 weight 0.10000E+01 volume 0.49754E-03 ppm1 8.745 ppm2 1.929 CV 1 OR { 30} (( segid "SAP " and resid 65 and name HG2 )) (( segid "SAP " and resid 66 and name HN )) ASSI { 31} (( segid "SAP " and resid 65 and name HA )) (( segid "SAP " and resid 66 and name HN )) 2.300 0.600 0.600 peak 31 spectrum 1 weight 0.10000E+01 volume 0.86190E-02 ppm1 8.743 ppm2 4.305 CV 1 ASSI { 32} (( segid "SAP " and resid 66 and name HA )) (( segid "SAP " and resid 66 and name HN )) 3.300 1.300 1.300 peak 32 spectrum 1 weight 0.10000E+01 volume 0.10091E-02 ppm1 8.738 ppm2 4.589 CV 1 ASSI { 33} (( segid "SAP " and resid 74 and name HG1 )) (( segid "SAP " and resid 75 and name HN )) 4.600 2.600 1.400 peak 33 spectrum 1 weight 0.10000E+01 volume 0.19832E-03 ppm1 8.996 ppm2 2.278 CV 1 ASSI { 34} (( segid "SAP " and resid 74 and name HG2 )) (( segid "SAP " and resid 75 and name HN )) 4.500 2.500 1.500 peak 34 spectrum 1 weight 0.10000E+01 volume 0.27294E-03 ppm1 9.002 ppm2 2.138 CV 1 ASSI { 36} (( segid "SAP " and resid 100 and name HN )) (( segid "SAP " and resid 99 and name HN )) 3.300 1.400 1.400 peak 36 spectrum 1 weight 0.10000E+01 volume 0.82338E-03 ppm1 8.960 ppm2 7.652 CV 1 ASSI { 37} ( segid "SAP " and resid 111 and name HG2%) (( segid "SAP " and resid 112 and name HN )) 4.300 2.300 1.700 peak 37 spectrum 1 weight 0.10000E+01 volume 0.51856E-03 ppm1 9.825 ppm2 0.906 CV 1 OR { 37} (( segid "SAP " and resid 111 and name HG12)) (( segid "SAP " and resid 112 and name HN )) ASSI { 38} (( segid "SAP " and resid 111 and name HG11)) (( segid "SAP " and resid 112 and name HN )) 4.200 2.200 1.800 peak 38 spectrum 1 weight 0.10000E+01 volume 0.26524E-03 ppm1 9.829 ppm2 1.488 CV 1 ASSI { 39} (( segid "SAP " and resid 111 and name HB )) (( segid "SAP " and resid 112 and name HN )) 2.700 0.900 0.900 peak 39 spectrum 1 weight 0.10000E+01 volume 0.23826E-02 ppm1 9.825 ppm2 2.029 CV 1 ASSI { 40} (( segid "SAP " and resid 112 and name HB2 )) (( segid "SAP " and resid 112 and name HN )) 3.200 1.300 1.300 peak 40 spectrum 1 weight 0.10000E+01 volume 0.19306E-02 ppm1 9.827 ppm2 2.764 CV 1 ASSI { 41} (( segid "SAP " and resid 67 and name HB2 )) (( segid "SAP " and resid 112 and name HN )) 3.000 1.100 1.100 peak 41 spectrum 1 weight 0.10000E+01 volume 0.16117E-02 ppm1 9.825 ppm2 2.903 CV 1 ASSI { 42} (( segid "SAP " and resid 67 and name HB1 )) (( segid "SAP " and resid 112 and name HN )) 4.400 2.400 1.600 peak 42 spectrum 1 weight 0.10000E+01 volume 0.35388E-03 ppm1 9.824 ppm2 3.160 CV 1 ASSI { 43} (( segid "SAP " and resid 112 and name HB1 )) (( segid "SAP " and resid 112 and name HN )) 3.800 1.800 1.800 peak 43 spectrum 1 weight 0.10000E+01 volume 0.35388E-03 ppm1 9.828 ppm2 3.362 CV 1 ASSI { 44} (( segid "SAP " and resid 80 and name HA )) (( segid "SAP " and resid 112 and name HN )) 4.600 2.700 1.400 peak 44 spectrum 1 weight 0.10000E+01 volume 0.16117E-03 ppm1 9.826 ppm2 3.530 CV 1 ASSI { 45} (( segid "SAP " and resid 115 and name HB1 )) (( segid "SAP " and resid 112 and name HN )) 4.200 2.200 1.800 peak 45 spectrum 1 weight 0.10000E+01 volume 0.48352E-03 ppm1 9.826 ppm2 3.717 CV 1 ASSI { 46} (( segid "SAP " and resid 67 and name HA )) (( segid "SAP " and resid 112 and name HN )) 4.000 2.000 2.000 peak 46 spectrum 1 weight 0.10000E+01 volume 0.31815E-03 ppm1 9.826 ppm2 4.123 CV 1 ASSI { 47} (( segid "SAP " and resid 112 and name HA )) (( segid "SAP " and resid 112 and name HN )) 3.400 1.500 1.500 peak 47 spectrum 1 weight 0.10000E+01 volume 0.67973E-03 ppm1 9.825 ppm2 4.987 CV 1 ASSI { 48} (( segid "SAP " and resid 111 and name HA )) (( segid "SAP " and resid 112 and name HN )) 2.600 0.800 0.800 peak 48 spectrum 1 weight 0.10000E+01 volume 0.39593E-02 ppm1 9.825 ppm2 5.939 CV 1 ASSI { 49} ( segid "SAP " and resid 111 and name HG2%) (( segid "SAP " and resid 85 and name HN )) 3.400 1.400 1.400 peak 49 spectrum 1 weight 0.10000E+01 volume 0.86190E-03 ppm1 9.582 ppm2 0.896 CV 1 OR { 49} (( segid "SAP " and resid 111 and name HG12)) (( segid "SAP " and resid 85 and name HN )) ASSI { 50} (( segid "SAP " and resid 109 and name HB2 )) (( segid "SAP " and resid 85 and name HN )) 4.600 2.600 1.400 peak 50 spectrum 1 weight 0.10000E+01 volume 0.25613E-03 ppm1 9.580 ppm2 1.267 CV 1 ASSI { 51} (( segid "SAP " and resid 109 and name HB1 )) (( segid "SAP " and resid 85 and name HN )) 3.100 1.200 1.200 peak 51 spectrum 1 weight 0.10000E+01 volume 0.11457E-02 ppm1 9.580 ppm2 1.782 CV 1 ASSI { 52} (( segid "SAP " and resid 85 and name HB2 )) (( segid "SAP " and resid 85 and name HN )) 3.100 1.200 1.200 peak 52 spectrum 1 weight 0.10000E+01 volume 0.14226E-02 ppm1 9.582 ppm2 2.617 CV 1 ASSI { 53} (( segid "SAP " and resid 85 and name HB1 )) (( segid "SAP " and resid 85 and name HN )) 3.100 1.200 1.200 peak 53 spectrum 1 weight 0.10000E+01 volume 0.13139E-02 ppm1 9.580 ppm2 2.983 CV 1 ASSI { 54} (( segid "SAP " and resid 84 and name HB2 )) (( segid "SAP " and resid 85 and name HN )) 3.500 1.500 1.500 peak 54 spectrum 1 weight 0.10000E+01 volume 0.76383E-03 ppm1 9.580 ppm2 3.435 CV 1 OR { 54} (( segid "SAP " and resid 84 and name HB1 )) (( segid "SAP " and resid 85 and name HN )) ASSI { 55} (( segid "SAP " and resid 85 and name HA )) (( segid "SAP " and resid 85 and name HN )) 3.800 1.800 1.800 peak 55 spectrum 1 weight 0.10000E+01 volume 0.37841E-03 ppm1 9.581 ppm2 4.309 CV 1 ASSI { 57} (( segid "SAP " and resid 84 and name HA )) (( segid "SAP " and resid 85 and name HN )) 2.800 1.000 1.000 peak 57 spectrum 1 weight 0.10000E+01 volume 0.23020E-02 ppm1 9.581 ppm2 5.289 CV 1 ASSI { 58} ( segid "SAP " and resid 63 and name HB% ) (( segid "SAP " and resid 63 and name HN )) 3.000 1.200 1.200 peak 58 spectrum 1 weight 0.10000E+01 volume 0.17554E-02 ppm1 8.296 ppm2 1.287 CV 1 ASSI { 59} (( segid "SAP " and resid 62 and name HB1 )) (( segid "SAP " and resid 63 and name HN )) 3.800 1.800 1.800 peak 59 spectrum 1 weight 0.10000E+01 volume 0.45900E-03 ppm1 8.301 ppm2 2.568 CV 1 OR { 59} (( segid "SAP " and resid 62 and name HB2 )) (( segid "SAP " and resid 63 and name HN )) ASSI { 60} (( segid "SAP " and resid 63 and name HA )) (( segid "SAP " and resid 63 and name HN )) 3.400 1.500 1.500 peak 60 spectrum 1 weight 0.10000E+01 volume 0.79536E-03 ppm1 8.301 ppm2 4.189 CV 1 ASSI { 61} ( segid "SAP " and resid 83 and name HB% ) (( segid "SAP " and resid 83 and name HN )) 2.400 0.700 0.700 peak 61 spectrum 1 weight 0.10000E+01 volume 0.74280E-02 ppm1 8.723 ppm2 1.465 CV 1 ASSI { 62} (( segid "SAP " and resid 82 and name HB2 )) (( segid "SAP " and resid 83 and name HN )) 3.500 1.500 1.500 peak 62 spectrum 1 weight 0.10000E+01 volume 0.10791E-02 ppm1 8.726 ppm2 2.725 CV 1 ASSI { 63} (( segid "SAP " and resid 81 and name HA2 )) (( segid "SAP " and resid 83 and name HN )) 4.100 2.100 1.900 peak 63 spectrum 1 weight 0.10000E+01 volume 0.44849E-03 ppm1 8.727 ppm2 3.781 CV 1 ASSI { 64} (( segid "SAP " and resid 83 and name HA )) (( segid "SAP " and resid 83 and name HN )) 2.800 1.000 1.000 peak 64 spectrum 1 weight 0.10000E+01 volume 0.24527E-02 ppm1 8.724 ppm2 4.570 CV 1 ASSI { 65} ( segid "SAP " and resid 106 and name HB% ) (( segid "SAP " and resid 106 and name HN )) 2.600 0.900 0.900 peak 65 spectrum 1 weight 0.10000E+01 volume 0.38892E-02 ppm1 7.436 ppm2 1.297 CV 1 ASSI { 66} (( segid "SAP " and resid 103 and name HB1 )) (( segid "SAP " and resid 106 and name HN )) 3.800 1.800 1.800 peak 66 spectrum 1 weight 0.10000E+01 volume 0.46250E-03 ppm1 7.441 ppm2 2.801 CV 1 ASSI { 68} (( segid "SAP " and resid 106 and name HA )) (( segid "SAP " and resid 106 and name HN )) 3.100 1.200 1.200 peak 68 spectrum 1 weight 0.10000E+01 volume 0.15557E-02 ppm1 7.437 ppm2 4.118 CV 1 ASSI { 69} (( segid "SAP " and resid 105 and name HA )) (( segid "SAP " and resid 106 and name HN )) 4.100 2.100 1.900 peak 69 spectrum 1 weight 0.10000E+01 volume 0.27364E-03 ppm1 7.435 ppm2 4.354 CV 1 ASSI { 71} (( segid "SAP " and resid 115 and name HB2 )) (( segid "SAP " and resid 115 and name HN )) 2.900 1.100 1.100 peak 71 spectrum 1 weight 0.10000E+01 volume 0.15031E-02 ppm1 10.084 ppm2 2.669 CV 1 ASSI { 72} (( segid "SAP " and resid 114 and name HB2 )) (( segid "SAP " and resid 115 and name HN )) 4.500 2.500 1.500 peak 72 spectrum 1 weight 0.10000E+01 volume 0.64470E-03 ppm1 10.088 ppm2 2.952 CV 1 ASSI { 73} (( segid "SAP " and resid 114 and name HB1 )) (( segid "SAP " and resid 115 and name HN )) 2.700 0.900 0.900 peak 73 spectrum 1 weight 0.10000E+01 volume 0.20322E-02 ppm1 10.086 ppm2 3.525 CV 1 ASSI { 74} (( segid "SAP " and resid 115 and name HB1 )) (( segid "SAP " and resid 115 and name HN )) 3.100 1.200 1.200 peak 74 spectrum 1 weight 0.10000E+01 volume 0.39242E-02 ppm1 10.085 ppm2 3.715 CV 1 ASSI { 75} (( segid "SAP " and resid 115 and name HA )) (( segid "SAP " and resid 115 and name HN )) 3.000 1.100 1.100 peak 75 spectrum 1 weight 0.10000E+01 volume 0.15381E-02 ppm1 10.086 ppm2 4.030 CV 1 ASSI { 76} ( segid "SAP " and resid 114 and name HD% ) (( segid "SAP " and resid 115 and name HN )) 4.000 2.000 2.000 peak 76 spectrum 1 weight 0.10000E+01 volume 0.31429E-03 ppm1 10.087 ppm2 6.276 CV 1 ASSI { 78} (( segid "SAP " and resid 116 and name HN )) (( segid "SAP " and resid 115 and name HN )) 2.800 1.000 1.000 peak 78 spectrum 1 weight 0.10000E+01 volume 0.21198E-02 ppm1 10.085 ppm2 8.829 CV 1 ASSI { 79} ( segid "SAP " and resid 111 and name HG2%) (( segid "SAP " and resid 68 and name HN )) 3.300 1.400 1.400 peak 79 spectrum 1 weight 0.10000E+01 volume 0.96008E-03 ppm1 8.166 ppm2 0.907 CV 1 ASSI { 80} ( segid "SAP " and resid 80 and name HB% ) (( segid "SAP " and resid 68 and name HN )) 4.400 2.400 1.600 peak 80 spectrum 1 weight 0.10000E+01 volume 0.25367E-03 ppm1 8.165 ppm2 1.068 CV 1 ASSI { 81} (( segid "SAP " and resid 69 and name HG )) (( segid "SAP " and resid 68 and name HN )) 4.300 2.300 1.700 peak 81 spectrum 1 weight 0.10000E+01 volume 0.31709E-03 ppm1 8.165 ppm2 1.648 CV 1 ASSI { 82} (( segid "SAP " and resid 68 and name HG )) (( segid "SAP " and resid 68 and name HN )) 2.800 1.000 1.000 peak 82 spectrum 1 weight 0.10000E+01 volume 0.26594E-02 ppm1 8.164 ppm2 1.870 CV 1 ASSI { 83} (( segid "SAP " and resid 68 and name HB2 )) (( segid "SAP " and resid 68 and name HN )) 3.000 1.200 1.200 peak 83 spectrum 1 weight 0.10000E+01 volume 0.17799E-02 ppm1 8.165 ppm2 2.354 CV 1 ASSI { 84} (( segid "SAP " and resid 68 and name HB1 )) (( segid "SAP " and resid 68 and name HN )) 3.300 1.400 1.400 peak 84 spectrum 1 weight 0.10000E+01 volume 0.88997E-03 ppm1 8.164 ppm2 2.791 CV 1 ASSI { 85} (( segid "SAP " and resid 67 and name HA )) (( segid "SAP " and resid 68 and name HN )) 2.300 0.700 0.700 peak 85 spectrum 1 weight 0.10000E+01 volume 0.71477E-02 ppm1 8.164 ppm2 4.123 CV 1 ASSI { 86} (( segid "SAP " and resid 68 and name HA )) (( segid "SAP " and resid 68 and name HN )) 3.100 1.200 1.200 peak 86 spectrum 1 weight 0.10000E+01 volume 0.13244E-02 ppm1 8.164 ppm2 4.277 CV 1 ASSI { 87} (( segid "SAP " and resid 111 and name HA )) (( segid "SAP " and resid 68 and name HN )) 3.000 1.200 1.200 peak 87 spectrum 1 weight 0.10000E+01 volume 0.14541E-02 ppm1 8.164 ppm2 5.938 CV 1 ASSI { 88} ( segid "SAP " and resid 66 and name HD2%) (( segid "SAP " and resid 80 and name HN )) 3.800 1.800 1.800 peak 88 spectrum 1 weight 0.10000E+01 volume 0.61316E-03 ppm1 8.466 ppm2 0.645 CV 1 ASSI { 89} ( segid "SAP " and resid 80 and name HB% ) (( segid "SAP " and resid 80 and name HN )) 2.500 0.800 0.800 peak 89 spectrum 1 weight 0.10000E+01 volume 0.55009E-02 ppm1 8.465 ppm2 1.071 CV 1 ASSI { 90} ( segid "SAP " and resid 79 and name HB% ) (( segid "SAP " and resid 80 and name HN )) 3.000 1.100 1.100 peak 90 spectrum 1 weight 0.10000E+01 volume 0.20672E-02 ppm1 8.465 ppm2 1.319 CV 1 ASSI { 92} (( segid "SAP " and resid 80 and name HA )) (( segid "SAP " and resid 80 and name HN )) 2.900 1.100 1.100 peak 92 spectrum 1 weight 0.10000E+01 volume 0.18605E-02 ppm1 8.465 ppm2 3.528 CV 1 ASSI { 93} (( segid "SAP " and resid 79 and name HA )) (( segid "SAP " and resid 80 and name HN )) 2.200 0.600 0.600 peak 93 spectrum 1 weight 0.10000E+01 volume 0.11142E-01 ppm1 8.466 ppm2 4.150 CV 1 ASSI { 94} (( segid "SAP " and resid 66 and name HA )) (( segid "SAP " and resid 80 and name HN )) 2.900 1.100 1.100 peak 94 spectrum 1 weight 0.10000E+01 volume 0.22073E-02 ppm1 8.467 ppm2 4.590 CV 1 ASSI { 97} (( segid "SAP " and resid 78 and name HG2 )) (( segid "SAP " and resid 78 and name HN )) 3.500 1.500 1.500 peak 97 spectrum 1 weight 0.10000E+01 volume 0.10791E-02 ppm1 8.960 ppm2 1.451 CV 1 ASSI { 98} (( segid "SAP " and resid 78 and name HB2 )) (( segid "SAP " and resid 78 and name HN )) 2.600 0.900 0.900 peak 98 spectrum 1 weight 0.10000E+01 volume 0.43097E-02 ppm1 8.958 ppm2 1.729 CV 1 ASSI { 99} (( segid "SAP " and resid 78 and name HB1 )) (( segid "SAP " and resid 78 and name HN )) 2.700 0.900 0.900 peak 99 spectrum 1 weight 0.10000E+01 volume 0.33636E-02 ppm1 8.958 ppm2 2.196 CV 1 ASSI { 102} (( segid "SAP " and resid 67 and name HB1 )) (( segid "SAP " and resid 78 and name HN )) 3.900 1.900 1.900 peak 102 spectrum 1 weight 0.10000E+01 volume 0.36790E-03 ppm1 8.961 ppm2 3.157 CV 1 ASSI { 103} (( segid "SAP " and resid 77 and name HA2 )) (( segid "SAP " and resid 78 and name HN )) 3.300 1.400 1.400 peak 103 spectrum 1 weight 0.10000E+01 volume 0.90401E-03 ppm1 8.958 ppm2 3.653 CV 1 ASSI { 105} (( segid "SAP " and resid 78 and name HA )) (( segid "SAP " and resid 78 and name HN )) 3.000 1.100 1.100 peak 105 spectrum 1 weight 0.10000E+01 volume 0.19797E-02 ppm1 8.958 ppm2 4.290 CV 1 ASSI { 106} (( segid "SAP " and resid 77 and name HN )) (( segid "SAP " and resid 78 and name HN )) 3.000 1.100 1.100 peak 106 spectrum 1 weight 0.10000E+01 volume 0.18255E-02 ppm1 8.959 ppm2 8.529 CV 1 ASSI { 107} (( segid "SAP " and resid 70 and name HB2 )) (( segid "SAP " and resid 71 and name HN )) 3.400 1.400 1.400 peak 107 spectrum 1 weight 0.10000E+01 volume 0.16503E-02 ppm1 8.642 ppm2 1.214 CV 1 ASSI { 108} (( segid "SAP " and resid 71 and name HB2 )) (( segid "SAP " and resid 71 and name HN )) 3.200 1.300 1.300 peak 108 spectrum 1 weight 0.10000E+01 volume 0.13910E-02 ppm1 8.642 ppm2 1.586 CV 1 ASSI { 109} (( segid "SAP " and resid 74 and name HB2 )) (( segid "SAP " and resid 71 and name HN )) 4.300 2.300 1.700 peak 109 spectrum 1 weight 0.10000E+01 volume 0.21969E-03 ppm1 8.641 ppm2 1.867 CV 1 ASSI { 110} (( segid "SAP " and resid 71 and name HB1 )) (( segid "SAP " and resid 71 and name HN )) 2.600 0.900 0.900 peak 110 spectrum 1 weight 0.10000E+01 volume 0.37140E-02 ppm1 8.641 ppm2 2.111 CV 1 OR { 110} (( segid "SAP " and resid 71 and name HG2 )) (( segid "SAP " and resid 71 and name HN )) ASSI { 111} (( segid "SAP " and resid 75 and name HA )) (( segid "SAP " and resid 71 and name HN )) 3.500 1.500 1.500 peak 111 spectrum 1 weight 0.10000E+01 volume 0.87594E-03 ppm1 8.643 ppm2 4.100 CV 1 ASSI { 112} (( segid "SAP " and resid 71 and name HA )) (( segid "SAP " and resid 71 and name HN )) 2.900 1.100 1.100 peak 112 spectrum 1 weight 0.10000E+01 volume 0.18185E-02 ppm1 8.642 ppm2 5.080 CV 1 ASSI { 113} (( segid "SAP " and resid 74 and name HN )) (( segid "SAP " and resid 71 and name HN )) 2.900 1.100 1.100 peak 113 spectrum 1 weight 0.10000E+01 volume 0.19271E-02 ppm1 8.641 ppm2 7.650 CV 1 ASSI { 114} ( segid "SAP " and resid 66 and name HD2%) (( segid "SAP " and resid 79 and name HN )) 3.800 1.800 1.800 peak 114 spectrum 1 weight 0.10000E+01 volume 0.56762E-03 ppm1 8.331 ppm2 0.645 CV 1 ASSI { 115} ( segid "SAP " and resid 79 and name HB% ) (( segid "SAP " and resid 79 and name HN )) 2.300 0.700 0.700 peak 115 spectrum 1 weight 0.10000E+01 volume 0.88646E-02 ppm1 8.331 ppm2 1.320 CV 1 ASSI { 117} (( segid "SAP " and resid 78 and name HB1 )) (( segid "SAP " and resid 79 and name HN )) 3.400 1.500 1.500 peak 117 spectrum 1 weight 0.10000E+01 volume 0.67973E-03 ppm1 8.331 ppm2 2.202 CV 1 ASSI { 118} (( segid "SAP " and resid 79 and name HA )) (( segid "SAP " and resid 79 and name HN )) 2.300 0.700 0.700 peak 118 spectrum 1 weight 0.10000E+01 volume 0.80937E-02 ppm1 8.331 ppm2 4.160 CV 1 ASSI { 120} (( segid "SAP " and resid 127 and name HG1 )) (( segid "SAP " and resid 127 and name HN )) 3.600 1.700 1.700 peak 120 spectrum 1 weight 0.10000E+01 volume 0.58513E-03 ppm1 8.267 ppm2 1.390 CV 1 OR { 120} (( segid "SAP " and resid 127 and name HG2 )) (( segid "SAP " and resid 127 and name HN )) ASSI { 121} (( segid "SAP " and resid 127 and name HB1 )) (( segid "SAP " and resid 127 and name HN )) 2.800 1.000 1.000 peak 121 spectrum 1 weight 0.10000E+01 volume 0.26208E-02 ppm1 8.265 ppm2 1.727 CV 1 OR { 121} (( segid "SAP " and resid 127 and name HB2 )) (( segid "SAP " and resid 127 and name HN )) ASSI { 123} ( segid "SAP " and resid 118 and name HD2%) (( segid "SAP " and resid 118 and name HN )) 3.800 1.800 1.800 peak 123 spectrum 1 weight 0.10000E+01 volume 0.91797E-03 ppm1 7.891 ppm2 0.788 CV 1 ASSI { 124} (( segid "SAP " and resid 118 and name HB2 )) (( segid "SAP " and resid 118 and name HN )) 2.400 0.700 0.700 peak 124 spectrum 1 weight 0.10000E+01 volume 0.51155E-02 ppm1 7.890 ppm2 1.260 CV 1 ASSI { 125} (( segid "SAP " and resid 118 and name HG )) (( segid "SAP " and resid 118 and name HN )) 3.800 1.800 1.800 peak 125 spectrum 1 weight 0.10000E+01 volume 0.10476E-02 ppm1 7.891 ppm2 1.424 CV 1 ASSI { 126} (( segid "SAP " and resid 118 and name HB1 )) (( segid "SAP " and resid 118 and name HN )) 2.600 0.800 0.800 peak 126 spectrum 1 weight 0.10000E+01 volume 0.42396E-02 ppm1 7.890 ppm2 1.563 CV 1 ASSI { 127} (( segid "SAP " and resid 116 and name HB1 )) (( segid "SAP " and resid 118 and name HN )) 5.100 3.300 0.900 peak 127 spectrum 1 weight 0.10000E+01 volume 0.14786E-03 ppm1 7.892 ppm2 2.042 CV 1 ASSI { 128} (( segid "SAP " and resid 115 and name HB2 )) (( segid "SAP " and resid 118 and name HN )) 3.000 3.000 3.000 peak 128 spectrum 1 weight 0.10000E+01 volume 0.26139E-02 ppm1 7.890 ppm2 2.692 CV 1 ASSI { 129} (( segid "SAP " and resid 116 and name HA )) (( segid "SAP " and resid 118 and name HN )) 4.200 2.200 1.800 peak 129 spectrum 1 weight 0.10000E+01 volume 0.25402E-03 ppm1 7.893 ppm2 3.702 CV 1 ASSI { 130} (( segid "SAP " and resid 118 and name HA )) (( segid "SAP " and resid 118 and name HN )) 2.700 0.900 0.900 peak 130 spectrum 1 weight 0.10000E+01 volume 0.33462E-02 ppm1 7.891 ppm2 3.912 CV 1 ASSI { 131} (( segid "SAP " and resid 115 and name HA )) (( segid "SAP " and resid 118 and name HN )) 2.900 1.100 1.100 peak 131 spectrum 1 weight 0.10000E+01 volume 0.22915E-02 ppm1 7.891 ppm2 4.025 CV 1 ASSI { 132} (( segid "SAP " and resid 117 and name HA )) (( segid "SAP " and resid 118 and name HN )) 3.900 1.900 1.900 peak 132 spectrum 1 weight 0.10000E+01 volume 0.38542E-03 ppm1 7.890 ppm2 4.326 CV 1 ASSI { 134} (( segid "SAP " and resid 119 and name HN )) (( segid "SAP " and resid 118 and name HN )) 2.600 0.800 0.800 peak 134 spectrum 1 weight 0.10000E+01 volume 0.34127E-02 ppm1 7.890 ppm2 8.360 CV 1 ASSI { 135} (( segid "SAP " and resid 113 and name HB2 )) (( segid "SAP " and resid 114 and name HN )) 2.900 1.000 1.000 peak 135 spectrum 1 weight 0.10000E+01 volume 0.25052E-02 ppm1 8.221 ppm2 2.620 CV 1 OR { 135} (( segid "SAP " and resid 113 and name HB1 )) (( segid "SAP " and resid 114 and name HN )) ASSI { 136} (( segid "SAP " and resid 114 and name HB2 )) (( segid "SAP " and resid 114 and name HN )) 2.600 0.800 0.800 peak 136 spectrum 1 weight 0.10000E+01 volume 0.39943E-02 ppm1 8.221 ppm2 2.950 CV 1 ASSI { 137} (( segid "SAP " and resid 112 and name HB1 )) (( segid "SAP " and resid 114 and name HN )) 3.600 1.700 1.700 peak 137 spectrum 1 weight 0.10000E+01 volume 0.17274E-02 ppm1 8.221 ppm2 3.364 CV 1 ASSI { 138} (( segid "SAP " and resid 114 and name HB1 )) (( segid "SAP " and resid 114 and name HN )) 2.400 0.700 0.700 peak 138 spectrum 1 weight 0.10000E+01 volume 0.53608E-02 ppm1 8.221 ppm2 3.521 CV 1 ASSI { 139} (( segid "SAP " and resid 114 and name HA )) (( segid "SAP " and resid 114 and name HN )) 2.800 1.000 1.000 peak 139 spectrum 1 weight 0.10000E+01 volume 0.25753E-02 ppm1 8.220 ppm2 4.090 CV 1 ASSI { 140} (( segid "SAP " and resid 113 and name HA )) (( segid "SAP " and resid 114 and name HN )) 4.100 2.100 1.900 peak 140 spectrum 1 weight 0.10000E+01 volume 0.24912E-03 ppm1 8.222 ppm2 4.492 CV 1 ASSI { 143} (( segid "SAP " and resid 115 and name HN )) (( segid "SAP " and resid 114 and name HN )) 2.900 1.000 1.000 peak 143 spectrum 1 weight 0.10000E+01 volume 0.21514E-02 ppm1 8.220 ppm2 10.080 CV 1 ASSI { 146} ( segid "SAP " and resid 100 and name HG2%) (( segid "SAP " and resid 101 and name HN )) 2.800 1.000 1.000 peak 146 spectrum 1 weight 0.10000E+01 volume 0.33391E-02 ppm1 8.495 ppm2 0.570 CV 1 ASSI { 153} (( segid "SAP " and resid 102 and name HA )) (( segid "SAP " and resid 102 and name HN )) 3.000 1.100 1.100 peak 153 spectrum 1 weight 0.10000E+01 volume 0.16573E-02 ppm1 8.486 ppm2 3.772 CV 1 ASSI { 155} (( segid "SAP " and resid 100 and name HA )) (( segid "SAP " and resid 101 and name HN )) 2.200 0.600 0.600 peak 155 spectrum 1 weight 0.10000E+01 volume 0.88296E-02 ppm1 8.496 ppm2 4.995 CV 1 ASSI { 156} (( segid "SAP " and resid 70 and name HN )) (( segid "SAP " and resid 101 and name HN )) 2.900 1.000 1.000 peak 156 spectrum 1 weight 0.10000E+01 volume 0.21899E-02 ppm1 8.497 ppm2 8.872 CV 1 ASSI { 157} ( segid "SAP " and resid 111 and name HD1%) (( segid "SAP " and resid 116 and name HN )) 3.300 1.400 1.400 peak 157 spectrum 1 weight 0.10000E+01 volume 0.10231E-02 ppm1 8.831 ppm2 0.629 CV 1 ASSI { 159} (( segid "SAP " and resid 116 and name HG2 )) (( segid "SAP " and resid 116 and name HN )) 5.500 3.700 0.500 peak 159 spectrum 1 weight 0.10000E+01 volume 0.11493E-03 ppm1 8.830 ppm2 1.145 CV 1 ASSI { 161} (( segid "SAP " and resid 116 and name HB2 )) (( segid "SAP " and resid 116 and name HN )) 2.400 0.700 0.700 peak 161 spectrum 1 weight 0.10000E+01 volume 0.50455E-02 ppm1 8.831 ppm2 1.867 CV 1 ASSI { 162} (( segid "SAP " and resid 116 and name HB1 )) (( segid "SAP " and resid 116 and name HN )) 2.400 0.700 0.700 peak 162 spectrum 1 weight 0.10000E+01 volume 0.48702E-02 ppm1 8.831 ppm2 2.054 CV 1 ASSI { 163} (( segid "SAP " and resid 115 and name HB2 )) (( segid "SAP " and resid 116 and name HN )) 3.300 1.400 1.400 peak 163 spectrum 1 weight 0.10000E+01 volume 0.87945E-03 ppm1 8.831 ppm2 2.665 CV 1 ASSI { 164} (( segid "SAP " and resid 116 and name HA )) (( segid "SAP " and resid 116 and name HN )) 2.700 0.900 0.900 peak 164 spectrum 1 weight 0.10000E+01 volume 0.33321E-02 ppm1 8.831 ppm2 3.701 CV 1 ASSI { 165} (( segid "SAP " and resid 115 and name HA )) (( segid "SAP " and resid 116 and name HN )) 4.300 2.300 1.700 peak 165 spectrum 1 weight 0.10000E+01 volume 0.21303E-03 ppm1 8.834 ppm2 4.028 CV 1 ASSI { 166} (( segid "SAP " and resid 113 and name HA )) (( segid "SAP " and resid 116 and name HN )) 3.200 1.300 1.300 peak 166 spectrum 1 weight 0.10000E+01 volume 0.13314E-02 ppm1 8.831 ppm2 4.489 CV 1 ASSI { 167} (( segid "SAP " and resid 117 and name HN )) (( segid "SAP " and resid 116 and name HN )) 2.800 1.000 1.000 peak 167 spectrum 1 weight 0.10000E+01 volume 0.25648E-02 ppm1 8.832 ppm2 8.138 CV 1 ASSI { 169} (( segid "SAP " and resid 67 and name HB2 )) (( segid "SAP " and resid 67 and name HN )) 2.500 0.800 0.800 peak 169 spectrum 1 weight 0.10000E+01 volume 0.44849E-02 ppm1 8.471 ppm2 2.901 CV 1 ASSI { 170} (( segid "SAP " and resid 67 and name HB1 )) (( segid "SAP " and resid 67 and name HN )) 2.700 0.900 0.900 peak 170 spectrum 1 weight 0.10000E+01 volume 0.34758E-02 ppm1 8.470 ppm2 3.156 CV 1 ASSI { 173} (( segid "SAP " and resid 102 and name HB1 )) (( segid "SAP " and resid 102 and name HN )) 2.500 0.800 0.800 peak 173 spectrum 1 weight 0.10000E+01 volume 0.52907E-02 ppm1 8.468 ppm2 1.515 CV 1 ASSI { 174} (( segid "SAP " and resid 66 and name HB1 )) (( segid "SAP " and resid 67 and name HN )) 2.900 1.100 1.100 peak 174 spectrum 1 weight 0.10000E+01 volume 0.19306E-02 ppm1 8.473 ppm2 1.648 CV 1 OR { 174} (( segid "SAP " and resid 66 and name HG )) (( segid "SAP " and resid 67 and name HN )) ASSI { 175} (( segid "SAP " and resid 80 and name HA )) (( segid "SAP " and resid 67 and name HN )) 4.600 2.600 1.400 peak 175 spectrum 1 weight 0.10000E+01 volume 0.14786E-03 ppm1 8.470 ppm2 3.527 CV 1 ASSI { 176} (( segid "SAP " and resid 67 and name HA )) (( segid "SAP " and resid 67 and name HN )) 2.900 1.100 1.100 peak 176 spectrum 1 weight 0.10000E+01 volume 0.20217E-02 ppm1 8.470 ppm2 4.134 CV 1 ASSI { 178} ( segid "SAP " and resid 100 and name HG2%) (( segid "SAP " and resid 100 and name HN )) 4.000 2.000 2.000 peak 178 spectrum 1 weight 0.10000E+01 volume 0.63068E-03 ppm1 7.654 ppm2 0.562 CV 1 ASSI { 179} ( segid "SAP " and resid 100 and name HD1%) (( segid "SAP " and resid 100 and name HN )) 4.200 2.200 1.800 peak 179 spectrum 1 weight 0.10000E+01 volume 0.62017E-03 ppm1 7.658 ppm2 0.641 CV 1 ASSI { 180} ( segid "SAP " and resid 98 and name HG2%) (( segid "SAP " and resid 100 and name HN )) 2.700 0.900 0.900 peak 180 spectrum 1 weight 0.10000E+01 volume 0.26033E-02 ppm1 7.654 ppm2 0.879 CV 1 ASSI { 181} ( segid "SAP " and resid 93 and name HG2%) (( segid "SAP " and resid 100 and name HN )) 3.600 1.600 1.600 peak 181 spectrum 1 weight 0.10000E+01 volume 0.11212E-02 ppm1 7.654 ppm2 0.997 CV 1 ASSI { 182} (( segid "SAP " and resid 100 and name HB )) (( segid "SAP " and resid 100 and name HN )) 2.500 0.800 0.800 peak 182 spectrum 1 weight 0.10000E+01 volume 0.45900E-02 ppm1 7.655 ppm2 1.449 CV 1 OR { 182} (( segid "SAP " and resid 100 and name HG11)) (( segid "SAP " and resid 100 and name HN )) ASSI { 183} (( segid "SAP " and resid 99 and name HB2 )) (( segid "SAP " and resid 100 and name HN )) 3.600 1.600 1.600 peak 183 spectrum 1 weight 0.10000E+01 volume 0.69375E-03 ppm1 7.655 ppm2 1.866 CV 1 OR { 183} (( segid "SAP " and resid 99 and name HB1 )) (( segid "SAP " and resid 100 and name HN )) ASSI { 184} (( segid "SAP " and resid 98 and name HB )) (( segid "SAP " and resid 100 and name HN )) 3.900 1.900 1.900 peak 184 spectrum 1 weight 0.10000E+01 volume 0.41344E-03 ppm1 7.653 ppm2 2.054 CV 1 ASSI { 185} (( segid "SAP " and resid 99 and name HA )) (( segid "SAP " and resid 100 and name HN )) 2.300 0.700 0.700 peak 185 spectrum 1 weight 0.10000E+01 volume 0.73229E-02 ppm1 7.654 ppm2 4.413 CV 1 ASSI { 186} (( segid "SAP " and resid 100 and name HA )) (( segid "SAP " and resid 100 and name HN )) 2.900 1.100 1.100 peak 186 spectrum 1 weight 0.10000E+01 volume 0.16468E-02 ppm1 7.655 ppm2 4.999 CV 1 ASSI { 191} ( segid "SAP " and resid 122 and name HG1%) (( segid "SAP " and resid 123 and name HN )) 3.100 1.200 1.200 peak 191 spectrum 1 weight 0.10000E+01 volume 0.16608E-02 ppm1 8.129 ppm2 0.925 CV 1 OR { 191} ( segid "SAP " and resid 122 and name HG2%) (( segid "SAP " and resid 123 and name HN )) ASSI { 192} (( segid "SAP " and resid 123 and name HG2 )) (( segid "SAP " and resid 123 and name HN )) 2.600 0.800 0.800 peak 192 spectrum 1 weight 0.10000E+01 volume 0.41695E-02 ppm1 8.129 ppm2 1.564 CV 1 ASSI { 193} (( segid "SAP " and resid 123 and name HB2 )) (( segid "SAP " and resid 123 and name HN )) 2.300 0.700 0.700 peak 193 spectrum 1 weight 0.10000E+01 volume 0.83391E-02 ppm1 8.129 ppm2 1.745 CV 1 ASSI { 194} (( segid "SAP " and resid 122 and name HB )) (( segid "SAP " and resid 123 and name HN )) 3.200 1.300 1.300 peak 194 spectrum 1 weight 0.10000E+01 volume 0.11808E-02 ppm1 8.128 ppm2 2.131 CV 1 ASSI { 195} (( segid "SAP " and resid 123 and name HD1 )) (( segid "SAP " and resid 123 and name HN )) 4.600 2.600 1.400 peak 195 spectrum 1 weight 0.10000E+01 volume 0.25473E-03 ppm1 8.130 ppm2 3.123 CV 1 OR { 195} (( segid "SAP " and resid 123 and name HD2 )) (( segid "SAP " and resid 123 and name HN )) ASSI { 196} (( segid "SAP " and resid 122 and name HA )) (( segid "SAP " and resid 123 and name HN )) 2.700 0.900 0.900 peak 196 spectrum 1 weight 0.10000E+01 volume 0.35003E-02 ppm1 8.128 ppm2 4.004 CV 1 ASSI { 197} (( segid "SAP " and resid 123 and name HA )) (( segid "SAP " and resid 123 and name HN )) 2.700 0.900 0.900 peak 197 spectrum 1 weight 0.10000E+01 volume 0.32235E-02 ppm1 8.128 ppm2 4.166 CV 1 ASSI { 198} ( segid "SAP " and resid 69 and name HD2%) (( segid "SAP " and resid 69 and name HN )) 3.800 1.800 1.800 peak 198 spectrum 1 weight 0.10000E+01 volume 0.74630E-03 ppm1 8.177 ppm2 -0.140 CV 1 ASSI { 199} ( segid "SAP " and resid 69 and name HD1%) (( segid "SAP " and resid 69 and name HN )) 4.000 2.000 2.000 peak 199 spectrum 1 weight 0.10000E+01 volume 0.71477E-03 ppm1 8.177 ppm2 0.244 CV 1 ASSI { 200} (( segid "SAP " and resid 69 and name HB2 )) (( segid "SAP " and resid 69 and name HN )) 2.900 1.000 1.000 peak 200 spectrum 1 weight 0.10000E+01 volume 0.16538E-02 ppm1 8.176 ppm2 0.670 CV 1 ASSI { 201} ( segid "SAP " and resid 111 and name HG2%) (( segid "SAP " and resid 69 and name HN )) 3.700 1.700 1.700 peak 201 spectrum 1 weight 0.10000E+01 volume 0.72879E-03 ppm1 8.179 ppm2 0.910 CV 1 ASSI { 202} (( segid "SAP " and resid 69 and name HB1 )) (( segid "SAP " and resid 69 and name HN )) 2.800 1.000 1.000 peak 202 spectrum 1 weight 0.10000E+01 volume 0.71477E-02 ppm1 8.177 ppm2 1.542 CV 1 ASSI { 203} (( segid "SAP " and resid 69 and name HG )) (( segid "SAP " and resid 69 and name HN )) 2.200 0.600 0.600 peak 203 spectrum 1 weight 0.10000E+01 volume 0.81288E-02 ppm1 8.176 ppm2 1.651 CV 1 ASSI { 204} (( segid "SAP " and resid 68 and name HB1 )) (( segid "SAP " and resid 69 and name HN )) 4.000 2.000 2.000 peak 204 spectrum 1 weight 0.10000E+01 volume 0.39593E-03 ppm1 8.176 ppm2 2.822 CV 1 ASSI { 205} (( segid "SAP " and resid 76 and name HB1 )) (( segid "SAP " and resid 69 and name HN )) 3.500 1.500 1.500 peak 205 spectrum 1 weight 0.10000E+01 volume 0.56411E-03 ppm1 8.176 ppm2 3.015 CV 1 ASSI { 206} (( segid "SAP " and resid 67 and name HB1 )) (( segid "SAP " and resid 69 and name HN )) 3.800 1.800 1.800 peak 206 spectrum 1 weight 0.10000E+01 volume 0.43447E-03 ppm1 8.176 ppm2 3.154 CV 1 ASSI { 207} (( segid "SAP " and resid 67 and name HA )) (( segid "SAP " and resid 69 and name HN )) 4.400 2.500 1.600 peak 207 spectrum 1 weight 0.10000E+01 volume 0.43097E-03 ppm1 8.175 ppm2 4.119 CV 1 ASSI { 208} (( segid "SAP " and resid 68 and name HA )) (( segid "SAP " and resid 69 and name HN )) 3.500 1.500 1.500 peak 208 spectrum 1 weight 0.10000E+01 volume 0.79886E-03 ppm1 8.176 ppm2 4.281 CV 1 ASSI { 209} (( segid "SAP " and resid 69 and name HA )) (( segid "SAP " and resid 69 and name HN )) 3.100 1.200 1.200 peak 209 spectrum 1 weight 0.10000E+01 volume 0.11352E-02 ppm1 8.175 ppm2 4.568 CV 1 ASSI { 210} (( segid "SAP " and resid 125 and name HG2 )) (( segid "SAP " and resid 125 and name HN )) 3.500 1.500 1.500 peak 210 spectrum 1 weight 0.10000E+01 volume 0.84794E-03 ppm1 8.103 ppm2 1.634 CV 1 OR { 210} (( segid "SAP " and resid 125 and name HG1 )) (( segid "SAP " and resid 125 and name HN )) ASSI { 211} (( segid "SAP " and resid 125 and name HB2 )) (( segid "SAP " and resid 125 and name HN )) 2.600 0.900 0.900 peak 211 spectrum 1 weight 0.10000E+01 volume 0.36089E-02 ppm1 8.103 ppm2 1.755 CV 1 ASSI { 212} (( segid "SAP " and resid 124 and name HB2 )) (( segid "SAP " and resid 125 and name HN )) 4.300 2.400 1.700 peak 212 spectrum 1 weight 0.10000E+01 volume 0.28065E-03 ppm1 8.103 ppm2 2.731 CV 1 ASSI { 213} (( segid "SAP " and resid 125 and name HA )) (( segid "SAP " and resid 125 and name HN )) 3.100 1.200 1.200 peak 213 spectrum 1 weight 0.10000E+01 volume 0.13700E-02 ppm1 8.102 ppm2 4.251 CV 1 ASSI { 214} (( segid "SAP " and resid 113 and name HB2 )) (( segid "SAP " and resid 113 and name HN )) 2.400 0.700 0.700 peak 214 spectrum 1 weight 0.10000E+01 volume 0.65170E-02 ppm1 8.998 ppm2 2.618 CV 1 OR { 214} (( segid "SAP " and resid 113 and name HB1 )) (( segid "SAP " and resid 113 and name HN )) ASSI { 215} (( segid "SAP " and resid 112 and name HB2 )) (( segid "SAP " and resid 113 and name HN )) 2.700 0.900 0.900 peak 215 spectrum 1 weight 0.10000E+01 volume 0.24421E-02 ppm1 9.001 ppm2 2.754 CV 1 ASSI { 217} (( segid "SAP " and resid 112 and name HB1 )) (( segid "SAP " and resid 113 and name HN )) 3.200 1.300 1.300 peak 217 spectrum 1 weight 0.10000E+01 volume 0.33777E-02 ppm1 8.999 ppm2 3.365 CV 1 ASSI { 219} (( segid "SAP " and resid 113 and name HA )) (( segid "SAP " and resid 113 and name HN )) 2.900 1.000 1.000 peak 219 spectrum 1 weight 0.10000E+01 volume 0.19972E-02 ppm1 8.998 ppm2 4.487 CV 1 ASSI { 220} (( segid "SAP " and resid 112 and name HA )) (( segid "SAP " and resid 113 and name HN )) 2.400 0.700 0.700 peak 220 spectrum 1 weight 0.10000E+01 volume 0.53257E-02 ppm1 8.998 ppm2 4.983 CV 1 ASSI { 221} (( segid "SAP " and resid 81 and name HN )) (( segid "SAP " and resid 113 and name HN )) 3.600 1.700 1.700 peak 221 spectrum 1 weight 0.10000E+01 volume 0.72178E-03 ppm1 8.999 ppm2 8.083 CV 1 ASSI { 222} (( segid "SAP " and resid 114 and name HN )) (( segid "SAP " and resid 113 and name HN )) 2.900 1.000 1.000 peak 222 spectrum 1 weight 0.10000E+01 volume 0.20041E-02 ppm1 8.998 ppm2 8.216 CV 1 ASSI { 223} ( segid "SAP " and resid 89 and name HD1%) (( segid "SAP " and resid 89 and name HN )) 3.300 1.400 1.400 peak 223 spectrum 1 weight 0.10000E+01 volume 0.15242E-02 ppm1 7.346 ppm2 0.800 CV 1 OR { 223} ( segid "SAP " and resid 89 and name HG2%) (( segid "SAP " and resid 89 and name HN )) ASSI { 224} (( segid "SAP " and resid 89 and name HG12)) (( segid "SAP " and resid 89 and name HN )) 3.400 1.400 1.400 peak 224 spectrum 1 weight 0.10000E+01 volume 0.18185E-02 ppm1 7.347 ppm2 1.219 CV 1 ASSI { 225} (( segid "SAP " and resid 89 and name HG11)) (( segid "SAP " and resid 89 and name HN )) 2.500 0.800 0.800 peak 225 spectrum 1 weight 0.10000E+01 volume 0.36790E-02 ppm1 7.348 ppm2 1.534 CV 1 ASSI { 227} (( segid "SAP " and resid 89 and name HA )) (( segid "SAP " and resid 89 and name HN )) 3.000 1.100 1.100 peak 227 spectrum 1 weight 0.10000E+01 volume 0.17413E-02 ppm1 7.349 ppm2 3.669 CV 1 ASSI { 229} (( segid "SAP " and resid 88 and name HA )) (( segid "SAP " and resid 89 and name HN )) 3.300 1.300 1.300 peak 229 spectrum 1 weight 0.10000E+01 volume 0.11002E-02 ppm1 7.349 ppm2 3.971 CV 1 ASSI { 230} (( segid "SAP " and resid 86 and name HB1 )) (( segid "SAP " and resid 89 and name HN )) 4.300 2.300 1.700 peak 230 spectrum 1 weight 0.10000E+01 volume 0.19481E-03 ppm1 7.346 ppm2 4.122 CV 1 ASSI { 232} (( segid "SAP " and resid 87 and name HB1 )) (( segid "SAP " and resid 87 and name HN )) 3.400 1.400 1.400 peak 232 spectrum 1 weight 0.10000E+01 volume 0.84093E-03 ppm1 8.706 ppm2 1.759 CV 1 OR { 232} (( segid "SAP " and resid 87 and name HB2 )) (( segid "SAP " and resid 87 and name HN )) ASSI { 234} (( segid "SAP " and resid 86 and name HA )) (( segid "SAP " and resid 87 and name HN )) 3.700 1.700 1.700 peak 234 spectrum 1 weight 0.10000E+01 volume 0.46600E-03 ppm1 8.710 ppm2 4.418 CV 1 ASSI { 235} ( segid "SAP " and resid 122 and name HG2%) (( segid "SAP " and resid 122 and name HN )) 2.600 0.800 0.800 peak 235 spectrum 1 weight 0.10000E+01 volume 0.46250E-02 ppm1 8.022 ppm2 0.935 CV 1 ASSI { 236} (( segid "SAP " and resid 122 and name HB )) (( segid "SAP " and resid 122 and name HN )) 2.600 0.900 0.900 peak 236 spectrum 1 weight 0.10000E+01 volume 0.37491E-02 ppm1 8.022 ppm2 2.129 CV 1 ASSI { 237} (( segid "SAP " and resid 119 and name HA )) (( segid "SAP " and resid 122 and name HN )) 4.200 2.200 1.800 peak 237 spectrum 1 weight 0.10000E+01 volume 0.27084E-03 ppm1 8.021 ppm2 3.459 CV 1 ASSI { 238} (( segid "SAP " and resid 122 and name HA )) (( segid "SAP " and resid 122 and name HN )) 2.600 0.900 0.900 peak 238 spectrum 1 weight 0.10000E+01 volume 0.37140E-02 ppm1 8.023 ppm2 3.995 CV 1 ASSI { 239} (( segid "SAP " and resid 120 and name HA )) (( segid "SAP " and resid 122 and name HN )) 3.800 1.800 1.800 peak 239 spectrum 1 weight 0.10000E+01 volume 0.41344E-03 ppm1 8.025 ppm2 4.151 CV 1 ASSI { 240} (( segid "SAP " and resid 121 and name HA )) (( segid "SAP " and resid 122 and name HN )) 2.700 0.900 0.900 peak 240 spectrum 1 weight 0.10000E+01 volume 0.36089E-02 ppm1 8.022 ppm2 4.283 CV 1 ASSI { 241} (( segid "SAP " and resid 95 and name HB2 )) (( segid "SAP " and resid 95 and name HN )) 2.700 0.900 0.900 peak 241 spectrum 1 weight 0.10000E+01 volume 0.32480E-02 ppm1 8.224 ppm2 2.119 CV 1 ASSI { 242} (( segid "SAP " and resid 95 and name HB1 )) (( segid "SAP " and resid 95 and name HN )) 3.000 1.100 1.100 peak 242 spectrum 1 weight 0.10000E+01 volume 0.16047E-02 ppm1 8.223 ppm2 2.214 CV 1 ASSI { 243} (( segid "SAP " and resid 95 and name HG2 )) (( segid "SAP " and resid 95 and name HN )) 3.600 1.600 1.600 peak 243 spectrum 1 weight 0.10000E+01 volume 0.10827E-02 ppm1 8.224 ppm2 2.380 CV 1 ASSI { 244} (( segid "SAP " and resid 95 and name HG1 )) (( segid "SAP " and resid 95 and name HN )) 3.700 1.700 1.700 peak 244 spectrum 1 weight 0.10000E+01 volume 0.97052E-03 ppm1 8.223 ppm2 2.472 CV 1 ASSI { 245} (( segid "SAP " and resid 94 and name HB1 )) (( segid "SAP " and resid 95 and name HN )) 3.100 1.200 1.200 peak 245 spectrum 1 weight 0.10000E+01 volume 0.14261E-02 ppm1 8.224 ppm2 3.998 CV 1 OR { 245} (( segid "SAP " and resid 94 and name HB2 )) (( segid "SAP " and resid 95 and name HN )) ASSI { 246} (( segid "SAP " and resid 95 and name HA )) (( segid "SAP " and resid 95 and name HN )) 2.900 1.000 1.000 peak 246 spectrum 1 weight 0.10000E+01 volume 0.24772E-02 ppm1 8.224 ppm2 4.256 CV 1 ASSI { 247} (( segid "SAP " and resid 94 and name HA )) (( segid "SAP " and resid 95 and name HN )) 3.000 1.100 1.100 peak 247 spectrum 1 weight 0.10000E+01 volume 0.17659E-02 ppm1 8.223 ppm2 4.374 CV 1 ASSI { 248} (( segid "SAP " and resid 70 and name HB2 )) (( segid "SAP " and resid 73 and name HN )) 3.800 1.800 1.800 peak 248 spectrum 1 weight 0.10000E+01 volume 0.55710E-03 ppm1 8.974 ppm2 1.231 CV 1 ASSI { 249} (( segid "SAP " and resid 70 and name HB1 )) (( segid "SAP " and resid 73 and name HN )) 3.800 1.800 1.800 peak 249 spectrum 1 weight 0.10000E+01 volume 0.32515E-03 ppm1 8.969 ppm2 1.377 CV 1 ASSI { 251} (( segid "SAP " and resid 72 and name HB1 )) (( segid "SAP " and resid 73 and name HN )) 3.800 1.800 1.800 peak 251 spectrum 1 weight 0.10000E+01 volume 0.47651E-03 ppm1 8.974 ppm2 3.022 CV 1 ASSI { 252} (( segid "SAP " and resid 73 and name HA2 )) (( segid "SAP " and resid 73 and name HN )) 2.300 0.700 0.700 peak 252 spectrum 1 weight 0.10000E+01 volume 0.63769E-02 ppm1 8.973 ppm2 3.509 CV 1 ASSI { 253} (( segid "SAP " and resid 72 and name HA )) (( segid "SAP " and resid 73 and name HN )) 2.600 0.800 0.800 peak 253 spectrum 1 weight 0.10000E+01 volume 0.42045E-02 ppm1 8.973 ppm2 4.249 CV 1 ASSI { 254} (( segid "SAP " and resid 71 and name HA )) (( segid "SAP " and resid 73 and name HN )) 3.900 1.900 1.900 peak 254 spectrum 1 weight 0.10000E+01 volume 0.43447E-03 ppm1 8.979 ppm2 5.083 CV 1 ASSI { 257} (( segid "SAP " and resid 70 and name HB2 )) (( segid "SAP " and resid 74 and name HN )) 3.700 1.700 1.700 peak 257 spectrum 1 weight 0.10000E+01 volume 0.11598E-02 ppm1 7.654 ppm2 1.216 CV 1 ASSI { 258} (( segid "SAP " and resid 74 and name HB2 )) (( segid "SAP " and resid 74 and name HN )) 2.500 0.800 0.800 peak 258 spectrum 1 weight 0.10000E+01 volume 0.40293E-02 ppm1 7.654 ppm2 1.854 CV 1 ASSI { 259} (( segid "SAP " and resid 74 and name HB1 )) (( segid "SAP " and resid 74 and name HN )) 3.100 1.200 1.200 peak 259 spectrum 1 weight 0.10000E+01 volume 0.22634E-02 ppm1 7.655 ppm2 2.011 CV 1 ASSI { 261} (( segid "SAP " and resid 74 and name HG1 )) (( segid "SAP " and resid 74 and name HN )) 3.900 1.900 1.900 peak 261 spectrum 1 weight 0.10000E+01 volume 0.42746E-03 ppm1 7.656 ppm2 2.264 CV 1 ASSI { 264} (( segid "SAP " and resid 73 and name HA2 )) (( segid "SAP " and resid 74 and name HN )) 3.600 1.600 1.600 peak 264 spectrum 1 weight 0.10000E+01 volume 0.72528E-03 ppm1 7.656 ppm2 3.512 CV 1 ASSI { 265} (( segid "SAP " and resid 73 and name HA1 )) (( segid "SAP " and resid 74 and name HN )) 3.300 1.400 1.400 peak 265 spectrum 1 weight 0.10000E+01 volume 0.98456E-03 ppm1 7.654 ppm2 4.173 CV 1 ASSI { 266} (( segid "SAP " and resid 74 and name HA )) (( segid "SAP " and resid 74 and name HN )) 2.900 1.100 1.100 peak 266 spectrum 1 weight 0.10000E+01 volume 0.19867E-02 ppm1 7.661 ppm2 4.628 CV 1 ASSI { 268} (( segid "SAP " and resid 73 and name HN )) (( segid "SAP " and resid 74 and name HN )) 2.800 1.000 1.000 peak 268 spectrum 1 weight 0.10000E+01 volume 0.23861E-02 ppm1 7.654 ppm2 8.974 CV 1 ASSI { 269} (( segid "SAP " and resid 70 and name HA )) (( segid "SAP " and resid 74 and name HN )) 4.100 2.100 1.900 peak 269 spectrum 1 weight 0.10000E+01 volume 0.39242E-03 ppm1 7.663 ppm2 4.789 CV 1 ASSI { 270} ( segid "SAP " and resid 89 and name HG2%) (( segid "SAP " and resid 90 and name HN )) 2.900 1.100 1.100 peak 270 spectrum 1 weight 0.10000E+01 volume 0.22880E-02 ppm1 7.991 ppm2 0.797 CV 1 ASSI { 273} (( segid "SAP " and resid 90 and name HB1 )) (( segid "SAP " and resid 90 and name HN )) 2.400 0.700 0.700 peak 273 spectrum 1 weight 0.10000E+01 volume 0.65871E-02 ppm1 7.993 ppm2 2.003 CV 1 ASSI { 274} (( segid "SAP " and resid 90 and name HA )) (( segid "SAP " and resid 90 and name HN )) 2.700 0.900 0.900 peak 274 spectrum 1 weight 0.10000E+01 volume 0.31499E-02 ppm1 7.993 ppm2 3.638 CV 1 ASSI { 275} (( segid "SAP " and resid 87 and name HA )) (( segid "SAP " and resid 90 and name HN )) 3.100 1.200 1.200 peak 275 spectrum 1 weight 0.10000E+01 volume 0.14611E-02 ppm1 7.995 ppm2 3.831 CV 1 ASSI { 276} (( segid "SAP " and resid 89 and name HN )) (( segid "SAP " and resid 90 and name HN )) 2.600 0.900 0.900 peak 276 spectrum 1 weight 0.10000E+01 volume 0.32585E-02 ppm1 7.992 ppm2 7.343 CV 1 ASSI { 278} ( segid "SAP " and resid 109 and name HD2%) (( segid "SAP " and resid 109 and name HN )) 3.500 1.500 1.500 peak 278 spectrum 1 weight 0.10000E+01 volume 0.10686E-02 ppm1 8.029 ppm2 0.828 CV 1 OR { 278} ( segid "SAP " and resid 109 and name HD1%) (( segid "SAP " and resid 109 and name HN )) ASSI { 279} (( segid "SAP " and resid 109 and name HB2 )) (( segid "SAP " and resid 109 and name HN )) 2.500 0.800 0.800 peak 279 spectrum 1 weight 0.10000E+01 volume 0.42045E-02 ppm1 8.029 ppm2 1.273 CV 1 ASSI { 280} (( segid "SAP " and resid 109 and name HG )) (( segid "SAP " and resid 109 and name HN )) 2.900 1.000 1.000 peak 280 spectrum 1 weight 0.10000E+01 volume 0.23230E-02 ppm1 8.029 ppm2 1.382 CV 1 ASSI { 281} (( segid "SAP " and resid 109 and name HB1 )) (( segid "SAP " and resid 109 and name HN )) 3.400 1.400 1.400 peak 281 spectrum 1 weight 0.10000E+01 volume 0.19551E-02 ppm1 8.030 ppm2 1.789 CV 1 ASSI { 282} (( segid "SAP " and resid 108 and name HB1 )) (( segid "SAP " and resid 109 and name HN )) 3.000 1.100 1.100 peak 282 spectrum 1 weight 0.10000E+01 volume 0.53257E-02 ppm1 8.030 ppm2 3.187 CV 1 ASSI { 283} (( segid "SAP " and resid 108 and name HA )) (( segid "SAP " and resid 109 and name HN )) 2.600 0.800 0.800 peak 283 spectrum 1 weight 0.10000E+01 volume 0.39242E-02 ppm1 8.029 ppm2 4.636 CV 1 ASSI { 284} (( segid "SAP " and resid 109 and name HA )) (( segid "SAP " and resid 109 and name HN )) 3.100 1.200 1.200 peak 284 spectrum 1 weight 0.10000E+01 volume 0.14926E-02 ppm1 8.029 ppm2 5.025 CV 1 ASSI { 286} ( segid "SAP " and resid 93 and name HG2%) (( segid "SAP " and resid 93 and name HN )) 3.500 1.500 1.500 peak 286 spectrum 1 weight 0.10000E+01 volume 0.15767E-02 ppm1 7.962 ppm2 1.003 CV 1 ASSI { 287} (( segid "SAP " and resid 93 and name HG12)) (( segid "SAP " and resid 93 and name HN )) 3.300 1.400 1.400 peak 287 spectrum 1 weight 0.10000E+01 volume 0.28380E-02 ppm1 7.963 ppm2 1.096 CV 1 ASSI { 289} (( segid "SAP " and resid 93 and name HB )) (( segid "SAP " and resid 93 and name HN )) 2.300 0.700 0.700 peak 289 spectrum 1 weight 0.10000E+01 volume 0.77434E-02 ppm1 7.964 ppm2 2.031 CV 1 ASSI { 292} (( segid "SAP " and resid 91 and name HA )) (( segid "SAP " and resid 93 and name HN )) 3.400 1.400 1.400 peak 292 spectrum 1 weight 0.10000E+01 volume 0.94955E-03 ppm1 7.965 ppm2 4.068 CV 1 ASSI { 294} ( segid "SAP " and resid 80 and name HB% ) (( segid "SAP " and resid 65 and name HN )) 3.000 3.000 3.000 peak 294 spectrum 1 weight 0.10000E+01 volume 0.10161E-02 ppm1 7.942 ppm2 1.073 CV 1 ASSI { 296} (( segid "SAP " and resid 65 and name HB2 )) (( segid "SAP " and resid 65 and name HN )) 2.200 0.600 0.600 peak 296 spectrum 1 weight 0.10000E+01 volume 0.10231E-01 ppm1 7.949 ppm2 1.607 CV 1 OR { 296} (( segid "SAP " and resid 65 and name HB1 )) (( segid "SAP " and resid 65 and name HN )) ASSI { 297} (( segid "SAP " and resid 65 and name HG2 )) (( segid "SAP " and resid 65 and name HN )) 2.200 0.600 0.600 peak 297 spectrum 1 weight 0.10000E+01 volume 0.11772E-01 ppm1 7.946 ppm2 1.928 CV 1 OR { 297} (( segid "SAP " and resid 65 and name HG1 )) (( segid "SAP " and resid 65 and name HN )) ASSI { 298} (( segid "SAP " and resid 64 and name HA2 )) (( segid "SAP " and resid 65 and name HN )) 2.300 0.700 0.700 peak 298 spectrum 1 weight 0.10000E+01 volume 0.76383E-02 ppm1 7.949 ppm2 3.813 CV 1 ASSI { 299} (( segid "SAP " and resid 63 and name HA )) (( segid "SAP " and resid 65 and name HN )) 3.500 1.600 1.600 peak 299 spectrum 1 weight 0.10000E+01 volume 0.88646E-03 ppm1 7.948 ppm2 4.181 CV 1 ASSI { 303} (( segid "SAP " and resid 90 and name HB1 )) (( segid "SAP " and resid 91 and name HN )) 2.200 0.600 0.600 peak 303 spectrum 1 weight 0.10000E+01 volume 0.83391E-02 ppm1 7.982 ppm2 2.002 CV 1 OR { 303} (( segid "SAP " and resid 90 and name HG2 )) (( segid "SAP " and resid 91 and name HN )) ASSI { 305} (( segid "SAP " and resid 91 and name HA )) (( segid "SAP " and resid 91 and name HN )) 2.600 0.900 0.900 peak 305 spectrum 1 weight 0.10000E+01 volume 0.36790E-02 ppm1 7.984 ppm2 4.078 CV 1 ASSI { 306} (( segid "SAP " and resid 88 and name HB2 )) (( segid "SAP " and resid 88 and name HN )) 2.200 0.600 0.600 peak 306 spectrum 1 weight 0.10000E+01 volume 0.10441E-01 ppm1 7.999 ppm2 1.720 CV 1 ASSI { 309} (( segid "SAP " and resid 123 and name HB2 )) (( segid "SAP " and resid 124 and name HN )) 3.700 1.700 1.700 peak 309 spectrum 1 weight 0.10000E+01 volume 0.50455E-03 ppm1 8.200 ppm2 1.791 CV 1 ASSI { 310} (( segid "SAP " and resid 124 and name HB2 )) (( segid "SAP " and resid 124 and name HN )) 3.200 1.300 1.300 peak 310 spectrum 1 weight 0.10000E+01 volume 0.12649E-02 ppm1 8.204 ppm2 2.724 CV 1 ASSI { 311} (( segid "SAP " and resid 123 and name HA )) (( segid "SAP " and resid 124 and name HN )) 3.100 1.200 1.200 peak 311 spectrum 1 weight 0.10000E+01 volume 0.15101E-02 ppm1 8.205 ppm2 4.170 CV 1 ASSI { 312} ( segid "SAP " and resid 89 and name HD1%) (( segid "SAP " and resid 86 and name HN )) 2.900 1.000 1.000 peak 312 spectrum 1 weight 0.10000E+01 volume 0.22179E-02 ppm1 6.772 ppm2 0.800 CV 1 ASSI { 313} (( segid "SAP " and resid 89 and name HG12)) (( segid "SAP " and resid 86 and name HN )) 4.200 2.200 1.800 peak 313 spectrum 1 weight 0.10000E+01 volume 0.50104E-03 ppm1 6.777 ppm2 1.230 CV 1 ASSI { 314} (( segid "SAP " and resid 89 and name HG11)) (( segid "SAP " and resid 86 and name HN )) 3.600 1.600 1.600 peak 314 spectrum 1 weight 0.10000E+01 volume 0.63769E-03 ppm1 6.773 ppm2 1.532 CV 1 ASSI { 315} (( segid "SAP " and resid 89 and name HB )) (( segid "SAP " and resid 86 and name HN )) 2.500 0.800 0.800 peak 315 spectrum 1 weight 0.10000E+01 volume 0.42396E-02 ppm1 6.771 ppm2 1.719 CV 1 ASSI { 316} (( segid "SAP " and resid 86 and name HB2 )) (( segid "SAP " and resid 86 and name HN )) 3.000 1.100 1.100 peak 316 spectrum 1 weight 0.10000E+01 volume 0.16047E-02 ppm1 6.773 ppm2 3.772 CV 1 ASSI { 317} (( segid "SAP " and resid 86 and name HB1 )) (( segid "SAP " and resid 86 and name HN )) 3.500 1.500 1.500 peak 317 spectrum 1 weight 0.10000E+01 volume 0.74280E-03 ppm1 6.773 ppm2 4.132 CV 1 ASSI { 318} (( segid "SAP " and resid 85 and name HA )) (( segid "SAP " and resid 86 and name HN )) 2.400 0.700 0.700 peak 318 spectrum 1 weight 0.10000E+01 volume 0.51856E-02 ppm1 6.771 ppm2 4.305 CV 1 ASSI { 319} (( segid "SAP " and resid 86 and name HA )) (( segid "SAP " and resid 86 and name HN )) 3.000 1.100 1.100 peak 319 spectrum 1 weight 0.10000E+01 volume 0.16117E-02 ppm1 6.771 ppm2 4.422 CV 1 ASSI { 321} (( segid "SAP " and resid 119 and name HG12)) (( segid "SAP " and resid 119 and name HN )) 3.000 1.100 1.100 peak 321 spectrum 1 weight 0.10000E+01 volume 0.44148E-02 ppm1 8.364 ppm2 0.852 CV 1 OR { 321} ( segid "SAP " and resid 119 and name HG2%) (( segid "SAP " and resid 119 and name HN )) ASSI { 322} (( segid "SAP " and resid 118 and name HB2 )) (( segid "SAP " and resid 119 and name HN )) 3.900 1.900 1.900 peak 322 spectrum 1 weight 0.10000E+01 volume 0.92499E-03 ppm1 8.363 ppm2 1.263 CV 1 ASSI { 323} (( segid "SAP " and resid 118 and name HG )) (( segid "SAP " and resid 119 and name HN )) 3.900 1.900 1.900 peak 323 spectrum 1 weight 0.10000E+01 volume 0.58163E-03 ppm1 8.366 ppm2 1.424 CV 1 ASSI { 324} (( segid "SAP " and resid 118 and name HB1 )) (( segid "SAP " and resid 119 and name HN )) 2.500 0.800 0.800 peak 324 spectrum 1 weight 0.10000E+01 volume 0.32655E-02 ppm1 8.364 ppm2 1.566 CV 1 ASSI { 325} (( segid "SAP " and resid 119 and name HG11)) (( segid "SAP " and resid 119 and name HN )) 2.100 0.600 0.600 peak 325 spectrum 1 weight 0.10000E+01 volume 0.10161E-01 ppm1 8.364 ppm2 1.828 CV 1 OR { 325} (( segid "SAP " and resid 119 and name HB )) (( segid "SAP " and resid 119 and name HN )) ASSI { 326} (( segid "SAP " and resid 119 and name HA )) (( segid "SAP " and resid 119 and name HN )) 2.900 1.100 1.100 peak 326 spectrum 1 weight 0.10000E+01 volume 0.19867E-02 ppm1 8.363 ppm2 3.455 CV 1 ASSI { 327} (( segid "SAP " and resid 116 and name HA )) (( segid "SAP " and resid 119 and name HN )) 3.900 1.900 1.900 peak 327 spectrum 1 weight 0.10000E+01 volume 0.32165E-03 ppm1 8.363 ppm2 3.700 CV 1 ASSI { 328} (( segid "SAP " and resid 118 and name HA )) (( segid "SAP " and resid 119 and name HN )) 3.600 1.700 1.700 peak 328 spectrum 1 weight 0.10000E+01 volume 0.57462E-03 ppm1 8.364 ppm2 3.910 CV 1 ASSI { 329} (( segid "SAP " and resid 115 and name HA )) (( segid "SAP " and resid 119 and name HN )) 3.700 1.700 1.700 peak 329 spectrum 1 weight 0.10000E+01 volume 0.64119E-03 ppm1 8.364 ppm2 4.033 CV 1 ASSI { 330} (( segid "SAP " and resid 120 and name HN )) (( segid "SAP " and resid 119 and name HN )) 2.400 0.700 0.700 peak 330 spectrum 1 weight 0.10000E+01 volume 0.52907E-02 ppm1 8.363 ppm2 7.844 CV 1 ASSI { 332} (( segid "SAP " and resid 96 and name HG2 )) (( segid "SAP " and resid 96 and name HN )) 3.000 1.100 1.100 peak 332 spectrum 1 weight 0.10000E+01 volume 0.14330E-02 ppm1 7.866 ppm2 1.432 CV 1 ASSI { 333} (( segid "SAP " and resid 96 and name HG1 )) (( segid "SAP " and resid 96 and name HN )) 2.800 1.000 1.000 peak 333 spectrum 1 weight 0.10000E+01 volume 0.29432E-02 ppm1 7.866 ppm2 1.569 CV 1 ASSI { 334} (( segid "SAP " and resid 96 and name HB2 )) (( segid "SAP " and resid 96 and name HN )) 2.400 0.700 0.700 peak 334 spectrum 1 weight 0.10000E+01 volume 0.51155E-02 ppm1 7.862 ppm2 1.800 CV 1 ASSI { 335} (( segid "SAP " and resid 96 and name HB1 )) (( segid "SAP " and resid 96 and name HN )) 3.400 1.400 1.400 peak 335 spectrum 1 weight 0.10000E+01 volume 0.17835E-02 ppm1 7.862 ppm2 1.914 CV 1 ASSI { 336} (( segid "SAP " and resid 95 and name HB2 )) (( segid "SAP " and resid 96 and name HN )) 3.600 1.600 1.600 peak 336 spectrum 1 weight 0.10000E+01 volume 0.13454E-02 ppm1 7.866 ppm2 2.121 CV 1 ASSI { 337} (( segid "SAP " and resid 95 and name HB1 )) (( segid "SAP " and resid 96 and name HN )) 3.100 1.200 1.200 peak 337 spectrum 1 weight 0.10000E+01 volume 0.97403E-03 ppm1 7.866 ppm2 2.217 CV 1 ASSI { 338} (( segid "SAP " and resid 93 and name HA )) (( segid "SAP " and resid 96 and name HN )) 3.900 1.900 1.900 peak 338 spectrum 1 weight 0.10000E+01 volume 0.37140E-03 ppm1 7.860 ppm2 3.910 CV 1 ASSI { 340} ( segid "SAP " and resid 83 and name HB% ) (( segid "SAP " and resid 82 and name HN )) 4.000 2.000 2.000 peak 340 spectrum 1 weight 0.10000E+01 volume 0.33146E-03 ppm1 8.692 ppm2 1.465 CV 1 ASSI { 341} (( segid "SAP " and resid 82 and name HB2 )) (( segid "SAP " and resid 82 and name HN )) 2.700 0.900 0.900 peak 341 spectrum 1 weight 0.10000E+01 volume 0.34758E-02 ppm1 8.691 ppm2 2.710 CV 1 ASSI { 342} (( segid "SAP " and resid 81 and name HA2 )) (( segid "SAP " and resid 82 and name HN )) 2.800 1.000 1.000 peak 342 spectrum 1 weight 0.10000E+01 volume 0.55009E-02 ppm1 8.693 ppm2 3.775 CV 1 ASSI { 343} (( segid "SAP " and resid 81 and name HA1 )) (( segid "SAP " and resid 82 and name HN )) 2.600 0.900 0.900 peak 343 spectrum 1 weight 0.10000E+01 volume 0.29747E-02 ppm1 8.692 ppm2 4.409 CV 1 ASSI { 344} (( segid "SAP " and resid 82 and name HA )) (( segid "SAP " and resid 82 and name HN )) 3.100 1.200 1.200 peak 344 spectrum 1 weight 0.10000E+01 volume 0.14191E-02 ppm1 8.701 ppm2 4.629 CV 1 ASSI { 345} ( segid "SAP " and resid 119 and name HG2%) (( segid "SAP " and resid 120 and name HN )) 3.200 1.300 1.300 peak 345 spectrum 1 weight 0.10000E+01 volume 0.16538E-02 ppm1 7.826 ppm2 0.841 CV 1 OR { 345} (( segid "SAP " and resid 119 and name HG12)) (( segid "SAP " and resid 120 and name HN )) ASSI { 346} (( segid "SAP " and resid 119 and name HB )) (( segid "SAP " and resid 120 and name HN )) 2.500 0.800 0.800 peak 346 spectrum 1 weight 0.10000E+01 volume 0.39943E-02 ppm1 7.825 ppm2 1.842 CV 1 ASSI { 347} (( segid "SAP " and resid 120 and name HB1 )) (( segid "SAP " and resid 120 and name HN )) 2.300 0.700 0.700 peak 347 spectrum 1 weight 0.10000E+01 volume 0.69726E-02 ppm1 7.825 ppm2 2.093 CV 1 OR { 347} (( segid "SAP " and resid 120 and name HB2 )) (( segid "SAP " and resid 120 and name HN )) ASSI { 348} (( segid "SAP " and resid 120 and name HG2 )) (( segid "SAP " and resid 120 and name HN )) 3.200 1.300 1.300 peak 348 spectrum 1 weight 0.10000E+01 volume 0.11843E-02 ppm1 7.826 ppm2 2.337 CV 1 ASSI { 349} (( segid "SAP " and resid 120 and name HG1 )) (( segid "SAP " and resid 120 and name HN )) 3.200 1.200 1.200 peak 349 spectrum 1 weight 0.10000E+01 volume 0.15837E-02 ppm1 7.826 ppm2 2.475 CV 1 ASSI { 350} (( segid "SAP " and resid 119 and name HA )) (( segid "SAP " and resid 120 and name HN )) 3.700 1.800 1.800 peak 350 spectrum 1 weight 0.10000E+01 volume 0.50104E-03 ppm1 7.826 ppm2 3.459 CV 1 ASSI { 351} (( segid "SAP " and resid 116 and name HA )) (( segid "SAP " and resid 120 and name HN )) 4.400 2.400 1.600 peak 351 spectrum 1 weight 0.10000E+01 volume 0.17344E-03 ppm1 7.825 ppm2 3.702 CV 1 ASSI { 353} (( segid "SAP " and resid 120 and name HA )) (( segid "SAP " and resid 120 and name HN )) 2.800 1.000 1.000 peak 353 spectrum 1 weight 0.10000E+01 volume 0.25998E-02 ppm1 7.828 ppm2 4.104 CV 1 ASSI { 354} (( segid "SAP " and resid 117 and name HA )) (( segid "SAP " and resid 120 and name HN )) 3.400 1.500 1.500 peak 354 spectrum 1 weight 0.10000E+01 volume 0.90401E-03 ppm1 7.826 ppm2 4.326 CV 1 ASSI { 356} ( segid "SAP " and resid 69 and name HD2%) (( segid "SAP " and resid 70 and name HN )) 4.000 2.000 2.000 peak 356 spectrum 1 weight 0.10000E+01 volume 0.65521E-03 ppm1 8.878 ppm2 -0.146 CV 1 ASSI { 357} ( segid "SAP " and resid 100 and name HG2%) (( segid "SAP " and resid 70 and name HN )) 3.400 1.500 1.500 peak 357 spectrum 1 weight 0.10000E+01 volume 0.75332E-03 ppm1 8.876 ppm2 0.569 CV 1 ASSI { 358} (( segid "SAP " and resid 69 and name HB2 )) (( segid "SAP " and resid 70 and name HN )) 3.200 1.200 1.200 peak 358 spectrum 1 weight 0.10000E+01 volume 0.26208E-02 ppm1 8.876 ppm2 0.673 CV 1 ASSI { 359} (( segid "SAP " and resid 70 and name HG2 )) (( segid "SAP " and resid 70 and name HN )) 4.800 2.900 1.200 peak 359 spectrum 1 weight 0.10000E+01 volume 0.24176E-03 ppm1 8.875 ppm2 1.096 CV 1 ASSI { 360} (( segid "SAP " and resid 70 and name HB2 )) (( segid "SAP " and resid 70 and name HN )) 3.100 1.200 1.200 peak 360 spectrum 1 weight 0.10000E+01 volume 0.11702E-02 ppm1 8.872 ppm2 1.221 CV 1 ASSI { 361} (( segid "SAP " and resid 70 and name HB1 )) (( segid "SAP " and resid 70 and name HN )) 3.300 1.400 1.400 peak 361 spectrum 1 weight 0.10000E+01 volume 0.23090E-02 ppm1 8.875 ppm2 1.380 CV 1 ASSI { 362} (( segid "SAP " and resid 69 and name HB1 )) (( segid "SAP " and resid 70 and name HN )) 3.200 1.300 1.300 peak 362 spectrum 1 weight 0.10000E+01 volume 0.90752E-03 ppm1 8.875 ppm2 1.534 CV 1 ASSI { 365} (( segid "SAP " and resid 69 and name HA )) (( segid "SAP " and resid 70 and name HN )) 2.400 0.700 0.700 peak 365 spectrum 1 weight 0.10000E+01 volume 0.58513E-02 ppm1 8.875 ppm2 4.564 CV 1 ASSI { 367} ( segid "SAP " and resid 98 and name HG2%) (( segid "SAP " and resid 97 and name HN )) 3.800 1.800 1.800 peak 367 spectrum 1 weight 0.10000E+01 volume 0.50805E-03 ppm1 8.105 ppm2 0.900 CV 1 OR { 367} ( segid "SAP " and resid 98 and name HG1%) (( segid "SAP " and resid 97 and name HN )) ASSI { 368} (( segid "SAP " and resid 97 and name HG1 )) (( segid "SAP " and resid 97 and name HN )) 3.200 1.300 1.300 peak 368 spectrum 1 weight 0.10000E+01 volume 0.18255E-02 ppm1 8.105 ppm2 1.379 CV 1 OR { 368} (( segid "SAP " and resid 97 and name HG2 )) (( segid "SAP " and resid 97 and name HN )) ASSI { 371} (( segid "SAP " and resid 97 and name HA )) (( segid "SAP " and resid 97 and name HN )) 2.400 0.700 0.700 peak 371 spectrum 1 weight 0.10000E+01 volume 0.53608E-02 ppm1 8.105 ppm2 4.098 CV 1 ASSI { 373} (( segid "SAP " and resid 98 and name HN )) (( segid "SAP " and resid 97 and name HN )) 3.000 1.100 1.100 peak 373 spectrum 1 weight 0.10000E+01 volume 0.24947E-02 ppm1 8.105 ppm2 7.426 CV 1 ASSI { 375} ( segid "SAP " and resid 93 and name HD1%) (( segid "SAP " and resid 94 and name HN )) 3.400 1.400 1.400 peak 375 spectrum 1 weight 0.10000E+01 volume 0.52907E-03 ppm1 7.975 ppm2 0.864 CV 1 ASSI { 376} ( segid "SAP " and resid 93 and name HG2%) (( segid "SAP " and resid 94 and name HN )) 3.400 1.400 1.400 peak 376 spectrum 1 weight 0.10000E+01 volume 0.10862E-02 ppm1 7.973 ppm2 1.002 CV 1 ASSI { 377} (( segid "SAP " and resid 93 and name HG11)) (( segid "SAP " and resid 94 and name HN )) 4.000 2.000 2.000 peak 377 spectrum 1 weight 0.10000E+01 volume 0.57813E-03 ppm1 7.974 ppm2 1.638 CV 1 ASSI { 378} (( segid "SAP " and resid 93 and name HB )) (( segid "SAP " and resid 94 and name HN )) 2.700 0.900 0.900 peak 378 spectrum 1 weight 0.10000E+01 volume 0.27715E-02 ppm1 7.973 ppm2 2.032 CV 1 ASSI { 379} (( segid "SAP " and resid 94 and name HB2 )) (( segid "SAP " and resid 94 and name HN )) 2.400 0.700 0.700 peak 379 spectrum 1 weight 0.10000E+01 volume 0.70777E-02 ppm1 7.973 ppm2 3.997 CV 1 OR { 379} (( segid "SAP " and resid 94 and name HB1 )) (( segid "SAP " and resid 94 and name HN )) ASSI { 380} (( segid "SAP " and resid 94 and name HA )) (( segid "SAP " and resid 94 and name HN )) 2.800 1.000 1.000 peak 380 spectrum 1 weight 0.10000E+01 volume 0.24316E-02 ppm1 7.973 ppm2 4.375 CV 1 ASSI { 382} (( segid "SAP " and resid 116 and name HG2 )) (( segid "SAP " and resid 117 and name HN )) 3.800 1.800 1.800 peak 382 spectrum 1 weight 0.10000E+01 volume 0.41695E-03 ppm1 8.145 ppm2 1.143 CV 1 ASSI { 383} (( segid "SAP " and resid 116 and name HG1 )) (( segid "SAP " and resid 117 and name HN )) 4.500 2.500 1.500 peak 383 spectrum 1 weight 0.10000E+01 volume 0.39242E-03 ppm1 8.142 ppm2 1.401 CV 1 ASSI { 385} (( segid "SAP " and resid 116 and name HB2 )) (( segid "SAP " and resid 117 and name HN )) 3.500 1.500 1.500 peak 385 spectrum 1 weight 0.10000E+01 volume 0.21653E-02 ppm1 8.144 ppm2 1.870 CV 1 ASSI { 386} (( segid "SAP " and resid 116 and name HB1 )) (( segid "SAP " and resid 117 and name HN )) 2.400 0.700 0.700 peak 386 spectrum 1 weight 0.10000E+01 volume 0.47301E-02 ppm1 8.144 ppm2 2.057 CV 1 ASSI { 387} (( segid "SAP " and resid 117 and name HB2 )) (( segid "SAP " and resid 117 and name HN )) 2.600 0.800 0.800 peak 387 spectrum 1 weight 0.10000E+01 volume 0.39242E-02 ppm1 8.143 ppm2 2.629 CV 1 ASSI { 388} (( segid "SAP " and resid 117 and name HB1 )) (( segid "SAP " and resid 117 and name HN )) 2.400 0.700 0.700 peak 388 spectrum 1 weight 0.10000E+01 volume 0.63419E-02 ppm1 8.145 ppm2 2.717 CV 1 ASSI { 389} (( segid "SAP " and resid 116 and name HA )) (( segid "SAP " and resid 117 and name HN )) 3.800 1.800 1.800 peak 389 spectrum 1 weight 0.10000E+01 volume 0.46600E-03 ppm1 8.144 ppm2 3.698 CV 1 ASSI { 391} (( segid "SAP " and resid 117 and name HA )) (( segid "SAP " and resid 117 and name HN )) 2.800 1.000 1.000 peak 391 spectrum 1 weight 0.10000E+01 volume 0.25788E-02 ppm1 8.144 ppm2 4.328 CV 1 ASSI { 392} (( segid "SAP " and resid 113 and name HA )) (( segid "SAP " and resid 117 and name HN )) 3.700 1.700 1.700 peak 392 spectrum 1 weight 0.10000E+01 volume 0.79536E-03 ppm1 8.144 ppm2 4.484 CV 1 ASSI { 394} (( segid "SAP " and resid 118 and name HN )) (( segid "SAP " and resid 117 and name HN )) 2.600 0.800 0.800 peak 394 spectrum 1 weight 0.10000E+01 volume 0.34933E-02 ppm1 8.144 ppm2 7.885 CV 1 ASSI { 396} (( segid "SAP " and resid 91 and name HB1 )) (( segid "SAP " and resid 92 and name HN )) 2.600 0.900 0.900 peak 396 spectrum 1 weight 0.10000E+01 volume 0.31254E-02 ppm1 7.770 ppm2 1.847 CV 1 ASSI { 397} (( segid "SAP " and resid 89 and name HA )) (( segid "SAP " and resid 92 and name HN )) 3.300 1.300 1.300 peak 397 spectrum 1 weight 0.10000E+01 volume 0.10617E-02 ppm1 7.769 ppm2 3.667 CV 1 ASSI { 398} (( segid "SAP " and resid 92 and name HB2 )) (( segid "SAP " and resid 92 and name HN )) 2.400 0.700 0.700 peak 398 spectrum 1 weight 0.10000E+01 volume 0.58163E-02 ppm1 7.771 ppm2 3.910 CV 1 OR { 398} (( segid "SAP " and resid 92 and name HB1 )) (( segid "SAP " and resid 92 and name HN )) ASSI { 399} (( segid "SAP " and resid 91 and name HA )) (( segid "SAP " and resid 92 and name HN )) 3.200 1.300 1.300 peak 399 spectrum 1 weight 0.10000E+01 volume 0.13735E-02 ppm1 7.769 ppm2 4.072 CV 1 ASSI { 400} (( segid "SAP " and resid 92 and name HA )) (( segid "SAP " and resid 92 and name HN )) 2.800 1.000 1.000 peak 400 spectrum 1 weight 0.10000E+01 volume 0.24246E-02 ppm1 7.770 ppm2 4.309 CV 1 ASSI { 402} ( segid "SAP " and resid 98 and name HG2%) (( segid "SAP " and resid 98 and name HN )) 2.400 0.700 0.700 peak 402 spectrum 1 weight 0.10000E+01 volume 0.52557E-02 ppm1 7.432 ppm2 0.889 CV 1 ASSI { 403} (( segid "SAP " and resid 97 and name HG2 )) (( segid "SAP " and resid 98 and name HN )) 3.800 1.800 1.800 peak 403 spectrum 1 weight 0.10000E+01 volume 0.60615E-03 ppm1 7.435 ppm2 1.402 CV 1 OR { 403} (( segid "SAP " and resid 97 and name HG1 )) (( segid "SAP " and resid 98 and name HN )) ASSI { 404} (( segid "SAP " and resid 97 and name HB1 )) (( segid "SAP " and resid 98 and name HN )) 3.200 1.300 1.300 peak 404 spectrum 1 weight 0.10000E+01 volume 0.18535E-02 ppm1 7.433 ppm2 1.911 CV 1 OR { 404} (( segid "SAP " and resid 97 and name HB2 )) (( segid "SAP " and resid 98 and name HN )) ASSI { 405} (( segid "SAP " and resid 98 and name HB )) (( segid "SAP " and resid 98 and name HN )) 3.100 1.200 1.200 peak 405 spectrum 1 weight 0.10000E+01 volume 0.23476E-02 ppm1 7.433 ppm2 2.048 CV 1 ASSI { 406} (( segid "SAP " and resid 97 and name HA )) (( segid "SAP " and resid 98 and name HN )) 2.600 0.900 0.900 peak 406 spectrum 1 weight 0.10000E+01 volume 0.33146E-02 ppm1 7.432 ppm2 4.098 CV 1 ASSI { 407} (( segid "SAP " and resid 98 and name HA )) (( segid "SAP " and resid 98 and name HN )) 2.900 1.000 1.000 peak 407 spectrum 1 weight 0.10000E+01 volume 0.21514E-02 ppm1 7.432 ppm2 4.329 CV 1 ASSI { 409} ( segid "SAP " and resid 122 and name HG2%) (( segid "SAP " and resid 121 and name HN )) 4.100 2.100 1.900 peak 409 spectrum 1 weight 0.10000E+01 volume 0.32059E-03 ppm1 7.788 ppm2 0.931 CV 1 ASSI { 410} (( segid "SAP " and resid 120 and name HB1 )) (( segid "SAP " and resid 121 and name HN )) 3.100 1.200 1.200 peak 410 spectrum 1 weight 0.10000E+01 volume 0.18220E-02 ppm1 7.790 ppm2 2.094 CV 1 OR { 410} (( segid "SAP " and resid 120 and name HB2 )) (( segid "SAP " and resid 121 and name HN )) ASSI { 411} (( segid "SAP " and resid 119 and name HA )) (( segid "SAP " and resid 121 and name HN )) 4.500 2.500 1.500 peak 411 spectrum 1 weight 0.10000E+01 volume 0.15802E-03 ppm1 7.792 ppm2 3.454 CV 1 ASSI { 412} (( segid "SAP " and resid 121 and name HB1 )) (( segid "SAP " and resid 121 and name HN )) 2.500 0.800 0.800 peak 412 spectrum 1 weight 0.10000E+01 volume 0.55710E-02 ppm1 7.789 ppm2 3.928 CV 1 ASSI { 413} (( segid "SAP " and resid 120 and name HA )) (( segid "SAP " and resid 121 and name HN )) 3.100 1.200 1.200 peak 413 spectrum 1 weight 0.10000E+01 volume 0.16783E-02 ppm1 7.790 ppm2 4.102 CV 1 ASSI { 414} (( segid "SAP " and resid 121 and name HA )) (( segid "SAP " and resid 121 and name HN )) 2.700 0.900 0.900 peak 414 spectrum 1 weight 0.10000E+01 volume 0.31114E-02 ppm1 7.789 ppm2 4.286 CV 1 ASSI { 415} (( segid "SAP " and resid 122 and name HN )) (( segid "SAP " and resid 121 and name HN )) 3.000 1.200 1.200 peak 415 spectrum 1 weight 0.10000E+01 volume 0.15487E-02 ppm1 7.790 ppm2 8.015 CV 1 ASSI { 416} (( segid "SAP " and resid 104 and name HB2 )) (( segid "SAP " and resid 105 and name HN )) 3.400 1.500 1.500 peak 416 spectrum 1 weight 0.10000E+01 volume 0.77083E-03 ppm1 8.742 ppm2 1.753 CV 1 ASSI { 417} (( segid "SAP " and resid 104 and name HB1 )) (( segid "SAP " and resid 105 and name HN )) 4.200 2.200 1.800 peak 417 spectrum 1 weight 0.10000E+01 volume 0.32620E-03 ppm1 8.743 ppm2 1.849 CV 1 ASSI { 418} (( segid "SAP " and resid 103 and name HB1 )) (( segid "SAP " and resid 105 and name HN )) 4.300 2.300 1.700 peak 418 spectrum 1 weight 0.10000E+01 volume 0.19726E-03 ppm1 8.740 ppm2 2.813 CV 1 ASSI { 419} (( segid "SAP " and resid 105 and name HB1 )) (( segid "SAP " and resid 105 and name HN )) 2.600 0.900 0.900 peak 419 spectrum 1 weight 0.10000E+01 volume 0.40293E-02 ppm1 8.740 ppm2 3.866 CV 1 OR { 419} (( segid "SAP " and resid 105 and name HB2 )) (( segid "SAP " and resid 105 and name HN )) ASSI { 420} (( segid "SAP " and resid 105 and name HA )) (( segid "SAP " and resid 105 and name HN )) 3.000 1.100 1.100 peak 420 spectrum 1 weight 0.10000E+01 volume 0.17274E-02 ppm1 8.740 ppm2 4.357 CV 1 ASSI { 421} (( segid "SAP " and resid 103 and name HA )) (( segid "SAP " and resid 105 and name HN )) 4.100 2.100 1.900 peak 421 spectrum 1 weight 0.10000E+01 volume 0.39943E-03 ppm1 8.740 ppm2 4.502 CV 1 ASSI { 422} (( segid "SAP " and resid 106 and name HN )) (( segid "SAP " and resid 105 and name HN )) 2.700 0.900 0.900 peak 422 spectrum 1 weight 0.10000E+01 volume 0.34056E-02 ppm1 8.741 ppm2 7.430 CV 1 ASSI { 423} ( segid "SAP " and resid 111 and name HD1%) (( segid "SAP " and resid 111 and name HN )) 3.900 1.900 1.900 peak 423 spectrum 1 weight 0.10000E+01 volume 0.12544E-02 ppm1 8.504 ppm2 0.631 CV 1 ASSI { 424} (( segid "SAP " and resid 111 and name HG12)) (( segid "SAP " and resid 111 and name HN )) 2.200 0.600 0.600 peak 424 spectrum 1 weight 0.10000E+01 volume 0.61666E-02 ppm1 8.503 ppm2 0.864 CV 1 ASSI { 425} ( segid "SAP " and resid 80 and name HB% ) (( segid "SAP " and resid 111 and name HN )) 4.100 2.100 1.900 peak 425 spectrum 1 weight 0.10000E+01 volume 0.28766E-03 ppm1 8.501 ppm2 1.071 CV 1 ASSI { 426} (( segid "SAP " and resid 111 and name HG11)) (( segid "SAP " and resid 111 and name HN )) 3.200 1.300 1.300 peak 426 spectrum 1 weight 0.10000E+01 volume 0.17134E-02 ppm1 8.504 ppm2 1.489 CV 1 ASSI { 427} (( segid "SAP " and resid 111 and name HB )) (( segid "SAP " and resid 111 and name HN )) 4.500 2.600 1.500 peak 427 spectrum 1 weight 0.10000E+01 volume 0.21338E-03 ppm1 8.506 ppm2 2.036 CV 1 ASSI { 428} (( segid "SAP " and resid 110 and name HB2 )) (( segid "SAP " and resid 111 and name HN )) 4.200 2.200 1.800 peak 428 spectrum 1 weight 0.10000E+01 volume 0.42746E-03 ppm1 8.504 ppm2 2.814 CV 1 ASSI { 429} (( segid "SAP " and resid 110 and name HB1 )) (( segid "SAP " and resid 111 and name HN )) 3.200 1.300 1.300 peak 429 spectrum 1 weight 0.10000E+01 volume 0.12718E-02 ppm1 8.505 ppm2 3.185 CV 1 ASSI { 430} (( segid "SAP " and resid 110 and name HA )) (( segid "SAP " and resid 111 and name HN )) 2.300 0.700 0.700 peak 430 spectrum 1 weight 0.10000E+01 volume 0.58864E-02 ppm1 8.503 ppm2 4.993 CV 1 ASSI { 431} (( segid "SAP " and resid 84 and name HA )) (( segid "SAP " and resid 111 and name HN )) 3.500 1.500 1.500 peak 431 spectrum 1 weight 0.10000E+01 volume 0.80236E-03 ppm1 8.503 ppm2 5.290 CV 1 ASSI { 432} (( segid "SAP " and resid 111 and name HA )) (( segid "SAP " and resid 111 and name HN )) 3.600 1.700 1.700 peak 432 spectrum 1 weight 0.10000E+01 volume 0.45900E-03 ppm1 8.504 ppm2 5.948 CV 1 ASSI { 433} ( segid "SAP " and resid 80 and name HB% ) (( segid "SAP " and resid 81 and name HN )) 2.900 1.100 1.100 peak 433 spectrum 1 weight 0.10000E+01 volume 0.24527E-02 ppm1 8.087 ppm2 1.071 CV 1 ASSI { 434} ( segid "SAP " and resid 83 and name HB% ) (( segid "SAP " and resid 81 and name HN )) 4.200 2.200 1.800 peak 434 spectrum 1 weight 0.10000E+01 volume 0.24316E-03 ppm1 8.092 ppm2 1.472 CV 1 ASSI { 435} (( segid "SAP " and resid 112 and name HB2 )) (( segid "SAP " and resid 81 and name HN )) 4.300 2.300 1.700 peak 435 spectrum 1 weight 0.10000E+01 volume 0.46951E-03 ppm1 8.091 ppm2 2.769 CV 1 ASSI { 436} (( segid "SAP " and resid 80 and name HA )) (( segid "SAP " and resid 81 and name HN )) 2.300 0.700 0.700 peak 436 spectrum 1 weight 0.10000E+01 volume 0.69025E-02 ppm1 8.087 ppm2 3.528 CV 1 ASSI { 437} (( segid "SAP " and resid 81 and name HA2 )) (( segid "SAP " and resid 81 and name HN )) 2.800 1.000 1.000 peak 437 spectrum 1 weight 0.10000E+01 volume 0.32796E-02 ppm1 8.085 ppm2 3.778 CV 1 ASSI { 438} (( segid "SAP " and resid 81 and name HA1 )) (( segid "SAP " and resid 81 and name HN )) 3.000 1.100 1.100 peak 438 spectrum 1 weight 0.10000E+01 volume 0.14541E-02 ppm1 8.085 ppm2 4.413 CV 1 ASSI { 439} (( segid "SAP " and resid 112 and name HA )) (( segid "SAP " and resid 81 and name HN )) 2.700 0.900 0.900 peak 439 spectrum 1 weight 0.10000E+01 volume 0.34793E-02 ppm1 8.086 ppm2 4.984 CV 1 ASSI { 440} (( segid "SAP " and resid 76 and name HB2 )) (( segid "SAP " and resid 76 and name HN )) 3.600 1.600 1.600 peak 440 spectrum 1 weight 0.10000E+01 volume 0.62017E-03 ppm1 8.861 ppm2 2.823 CV 1 ASSI { 441} (( segid "SAP " and resid 76 and name HB1 )) (( segid "SAP " and resid 76 and name HN )) 3.500 1.600 1.600 peak 441 spectrum 1 weight 0.10000E+01 volume 0.53958E-03 ppm1 8.864 ppm2 3.014 CV 1 ASSI { 442} (( segid "SAP " and resid 75 and name HA )) (( segid "SAP " and resid 76 and name HN )) 2.900 1.100 1.100 peak 442 spectrum 1 weight 0.10000E+01 volume 0.16643E-02 ppm1 8.864 ppm2 4.109 CV 1 ASSI { 443} ( segid "SAP " and resid 89 and name HD1%) (( segid "SAP " and resid 84 and name HN )) 3.900 1.900 1.900 peak 443 spectrum 1 weight 0.10000E+01 volume 0.37491E-03 ppm1 7.969 ppm2 0.835 CV 1 ASSI { 444} ( segid "SAP " and resid 83 and name HB% ) (( segid "SAP " and resid 84 and name HN )) 2.700 0.900 0.900 peak 444 spectrum 1 weight 0.10000E+01 volume 0.34547E-02 ppm1 7.965 ppm2 1.464 CV 1 ASSI { 445} (( segid "SAP " and resid 84 and name HB1 )) (( segid "SAP " and resid 84 and name HN )) 2.800 1.000 1.000 peak 445 spectrum 1 weight 0.10000E+01 volume 0.30693E-02 ppm1 7.965 ppm2 3.432 CV 1 OR { 445} (( segid "SAP " and resid 84 and name HB2 )) (( segid "SAP " and resid 84 and name HN )) ASSI { 446} (( segid "SAP " and resid 83 and name HA )) (( segid "SAP " and resid 84 and name HN )) 2.300 0.700 0.700 peak 446 spectrum 1 weight 0.10000E+01 volume 0.80236E-02 ppm1 7.965 ppm2 4.556 CV 1 ASSI { 447} (( segid "SAP " and resid 84 and name HA )) (( segid "SAP " and resid 84 and name HN )) 3.100 1.200 1.200 peak 447 spectrum 1 weight 0.10000E+01 volume 0.14786E-02 ppm1 7.965 ppm2 5.289 CV 1 ASSI { 448} (( segid "SAP " and resid 130 and name HA2 )) (( segid "SAP " and resid 130 and name HN )) 4.100 2.100 1.900 peak 448 spectrum 1 weight 0.10000E+01 volume 0.28661E-03 ppm1 8.498 ppm2 3.897 CV 1 ASSI { 449} (( segid "SAP " and resid 130 and name HA1 )) (( segid "SAP " and resid 130 and name HN )) 4.300 2.300 1.700 peak 449 spectrum 1 weight 0.10000E+01 volume 0.21514E-03 ppm1 8.496 ppm2 3.995 CV 1 ASSI { 450} (( segid "SAP " and resid 129 and name HA )) (( segid "SAP " and resid 130 and name HN )) 3.500 1.500 1.500 peak 450 spectrum 1 weight 0.10000E+01 volume 0.77434E-03 ppm1 8.500 ppm2 4.234 CV 1 ASSI { 451} (( segid "SAP " and resid 71 and name HB2 )) (( segid "SAP " and resid 72 and name HN )) 4.400 2.400 1.600 peak 451 spectrum 1 weight 0.10000E+01 volume 0.44498E-03 ppm1 9.513 ppm2 1.596 CV 1 ASSI { 452} (( segid "SAP " and resid 99 and name HB2 )) (( segid "SAP " and resid 72 and name HN )) 2.800 1.000 1.000 peak 452 spectrum 1 weight 0.10000E+01 volume 0.22495E-02 ppm1 9.513 ppm2 1.864 CV 1 OR { 452} (( segid "SAP " and resid 99 and name HB1 )) (( segid "SAP " and resid 72 and name HN )) ASSI { 453} (( segid "SAP " and resid 71 and name HG1 )) (( segid "SAP " and resid 72 and name HN )) 3.100 1.200 1.200 peak 453 spectrum 1 weight 0.10000E+01 volume 0.19341E-02 ppm1 9.514 ppm2 2.107 CV 1 OR { 453} (( segid "SAP " and resid 71 and name HG2 )) (( segid "SAP " and resid 72 and name HN )) OR { 453} (( segid "SAP " and resid 71 and name HB1 )) (( segid "SAP " and resid 72 and name HN )) ASSI { 454} (( segid "SAP " and resid 72 and name HB2 )) (( segid "SAP " and resid 72 and name HN )) 4.000 2.000 2.000 peak 454 spectrum 1 weight 0.10000E+01 volume 0.32340E-03 ppm1 9.517 ppm2 2.581 CV 1 ASSI { 455} (( segid "SAP " and resid 72 and name HB1 )) (( segid "SAP " and resid 72 and name HN )) 4.500 2.500 1.500 peak 455 spectrum 1 weight 0.10000E+01 volume 0.26629E-03 ppm1 9.518 ppm2 3.020 CV 1 ASSI { 456} (( segid "SAP " and resid 72 and name HA )) (( segid "SAP " and resid 72 and name HN )) 2.400 0.700 0.700 peak 456 spectrum 1 weight 0.10000E+01 volume 0.60265E-02 ppm1 9.513 ppm2 4.258 CV 1 ASSI { 457} (( segid "SAP " and resid 71 and name HA )) (( segid "SAP " and resid 72 and name HN )) 2.300 0.700 0.700 peak 457 spectrum 1 weight 0.10000E+01 volume 0.65521E-02 ppm1 9.513 ppm2 5.078 CV 1 ASSI { 458} (( segid "SAP " and resid 73 and name HN )) (( segid "SAP " and resid 72 and name HN )) 2.900 1.000 1.000 peak 458 spectrum 1 weight 0.10000E+01 volume 0.19691E-02 ppm1 9.513 ppm2 8.969 CV 1 ASSI { 459} (( segid "SAP " and resid 104 and name HG2 )) (( segid "SAP " and resid 104 and name HN )) 3.100 1.200 1.200 peak 459 spectrum 1 weight 0.10000E+01 volume 0.11422E-02 ppm1 8.912 ppm2 1.404 CV 1 ASSI { 460} (( segid "SAP " and resid 104 and name HG1 )) (( segid "SAP " and resid 104 and name HN )) 3.100 1.200 1.200 peak 460 spectrum 1 weight 0.10000E+01 volume 0.17098E-02 ppm1 8.913 ppm2 1.490 CV 1 ASSI { 461} (( segid "SAP " and resid 104 and name HB2 )) (( segid "SAP " and resid 104 and name HN )) 2.700 0.900 0.900 peak 461 spectrum 1 weight 0.10000E+01 volume 0.33566E-02 ppm1 8.912 ppm2 1.755 CV 1 ASSI { 462} (( segid "SAP " and resid 104 and name HB1 )) (( segid "SAP " and resid 104 and name HN )) 3.000 1.200 1.200 peak 462 spectrum 1 weight 0.10000E+01 volume 0.17974E-02 ppm1 8.910 ppm2 1.856 CV 1 ASSI { 463} (( segid "SAP " and resid 104 and name HA )) (( segid "SAP " and resid 104 and name HN )) 3.100 1.200 1.200 peak 463 spectrum 1 weight 0.10000E+01 volume 0.14050E-02 ppm1 8.911 ppm2 3.904 CV 1 ASSI { 464} (( segid "SAP " and resid 103 and name HA )) (( segid "SAP " and resid 104 and name HN )) 2.400 0.700 0.700 peak 464 spectrum 1 weight 0.10000E+01 volume 0.59564E-02 ppm1 8.911 ppm2 4.508 CV 1 ASSI { 468} (( segid "SAP " and resid 67 and name HB2 )) (( segid "SAP " and resid 78 and name HN )) 4.200 2.200 1.800 peak 468 spectrum 1 weight 0.10000E+01 volume 0.26664E-03 ppm1 8.957 ppm2 2.887 CV 1 ASSI { 469} (( segid "SAP " and resid 76 and name HA )) (( segid "SAP " and resid 77 and name HN )) 3.300 1.400 1.400 peak 469 spectrum 1 weight 0.10000E+01 volume 0.88997E-03 ppm1 8.533 ppm2 4.167 CV 1 ASSI { 470} (( segid "SAP " and resid 77 and name HA2 )) (( segid "SAP " and resid 77 and name HN )) 4.200 2.200 1.800 peak 470 spectrum 1 weight 0.10000E+01 volume 0.30098E-03 ppm1 8.532 ppm2 3.674 CV 1 ASSI { 474} (( segid "SAP " and resid 73 and name HA1 )) (( segid "SAP " and resid 73 and name HN )) 3.000 1.100 1.100 peak 474 spectrum 1 weight 0.10000E+01 volume 0.27540E-02 ppm1 8.974 ppm2 4.162 CV 1 ASSI { 475} (( segid "SAP " and resid 94 and name HA )) (( segid "SAP " and resid 97 and name HN )) 3.600 1.600 1.600 peak 475 spectrum 1 weight 0.10000E+01 volume 0.63769E-03 ppm1 8.105 ppm2 4.374 CV 1 ASSI { 476} (( segid "SAP " and resid 94 and name HB1 )) (( segid "SAP " and resid 97 and name HN )) 3.900 1.900 1.900 peak 476 spectrum 1 weight 0.10000E+01 volume 0.53608E-03 ppm1 8.107 ppm2 3.983 CV 1 OR { 476} (( segid "SAP " and resid 94 and name HB2 )) (( segid "SAP " and resid 97 and name HN )) ASSI { 477} (( segid "SAP " and resid 97 and name HN )) (( segid "SAP " and resid 96 and name HN )) 2.800 1.000 1.000 peak 477 spectrum 1 weight 0.10000E+01 volume 0.21303E-02 ppm1 7.862 ppm2 8.099 CV 1 ASSI { 478} (( segid "SAP " and resid 95 and name HN )) (( segid "SAP " and resid 96 and name HN )) 2.900 1.100 1.100 peak 478 spectrum 1 weight 0.10000E+01 volume 0.17169E-02 ppm1 7.862 ppm2 8.218 CV 1 ASSI { 479} (( segid "SAP " and resid 97 and name HA )) (( segid "SAP " and resid 96 and name HN )) 5.000 3.100 1.000 peak 479 spectrum 1 weight 0.10000E+01 volume 0.25998E-03 ppm1 7.865 ppm2 4.118 CV 1 ASSI { 480} ( segid "SAP " and resid 93 and name HG2%) (( segid "SAP " and resid 96 and name HN )) 4.600 2.600 1.400 peak 480 spectrum 1 weight 0.10000E+01 volume 0.18780E-03 ppm1 7.863 ppm2 1.004 CV 1 ASSI { 481} (( segid "SAP " and resid 99 and name HN )) (( segid "SAP " and resid 98 and name HN )) 4.500 2.500 1.500 peak 481 spectrum 1 weight 0.10000E+01 volume 0.25192E-03 ppm1 7.432 ppm2 8.953 CV 1 ASSI { 482} (( segid "SAP " and resid 93 and name HA )) (( segid "SAP " and resid 98 and name HN )) 4.400 2.400 1.600 peak 482 spectrum 1 weight 0.10000E+01 volume 0.22810E-03 ppm1 7.431 ppm2 3.921 CV 1 ASSI { 483} ( segid "SAP " and resid 93 and name HG2%) (( segid "SAP " and resid 98 and name HN )) 3.500 1.500 1.500 peak 483 spectrum 1 weight 0.10000E+01 volume 0.79886E-03 ppm1 7.432 ppm2 1.005 CV 1 ASSI { 484} (( segid "SAP " and resid 96 and name HB2 )) (( segid "SAP " and resid 98 and name HN )) 3.500 1.600 1.600 peak 484 spectrum 1 weight 0.10000E+01 volume 0.64119E-03 ppm1 7.431 ppm2 1.796 CV 1 ASSI { 488} (( segid "SAP " and resid 105 and name HN )) (( segid "SAP " and resid 104 and name HN )) 2.500 0.800 0.800 peak 488 spectrum 1 weight 0.10000E+01 volume 0.48352E-02 ppm1 8.911 ppm2 8.761 CV 1 ASSI { 489} (( segid "SAP " and resid 99 and name HG2 )) (( segid "SAP " and resid 100 and name HN )) 3.600 1.700 1.700 peak 489 spectrum 1 weight 0.10000E+01 volume 0.36089E-03 ppm1 7.654 ppm2 1.334 CV 1 ASSI { 490} ( segid "SAP " and resid 111 and name HD1%) (( segid "SAP " and resid 83 and name HN )) 4.100 2.100 1.900 peak 490 spectrum 1 weight 0.10000E+01 volume 0.18290E-03 ppm1 8.719 ppm2 0.646 CV 1 ASSI { 491} (( segid "SAP " and resid 111 and name HG12)) (( segid "SAP " and resid 83 and name HN )) 3.800 1.800 1.800 peak 491 spectrum 1 weight 0.10000E+01 volume 0.27610E-03 ppm1 8.725 ppm2 0.853 CV 1 ASSI { 492} (( segid "SAP " and resid 70 and name HB1 )) (( segid "SAP " and resid 71 and name HN )) 3.500 1.500 1.500 peak 492 spectrum 1 weight 0.10000E+01 volume 0.67973E-03 ppm1 8.644 ppm2 1.384 CV 1 ASSI { 493} (( segid "SAP " and resid 70 and name HG2 )) (( segid "SAP " and resid 71 and name HN )) 4.300 2.300 1.700 peak 493 spectrum 1 weight 0.10000E+01 volume 0.41695E-03 ppm1 8.642 ppm2 1.096 CV 1 ASSI { 494} (( segid "SAP " and resid 78 and name HG2 )) (( segid "SAP " and resid 79 and name HN )) 2.900 1.100 1.100 peak 494 spectrum 1 weight 0.10000E+01 volume 0.19516E-02 ppm1 8.330 ppm2 1.442 CV 1 ASSI { 495} ( segid "SAP " and resid 119 and name HG2%) (( segid "SAP " and resid 121 and name HN )) 4.400 2.400 1.600 peak 495 spectrum 1 weight 0.10000E+01 volume 0.27505E-03 ppm1 7.786 ppm2 0.859 CV 1 OR { 495} (( segid "SAP " and resid 119 and name HG12)) (( segid "SAP " and resid 121 and name HN )) ASSI { 496} (( segid "SAP " and resid 119 and name HG11)) (( segid "SAP " and resid 121 and name HN )) 4.300 2.300 1.700 peak 496 spectrum 1 weight 0.10000E+01 volume 0.33462E-03 ppm1 7.795 ppm2 1.779 CV 1 ASSI { 498} (( segid "SAP " and resid 119 and name HN )) (( segid "SAP " and resid 121 and name HN )) 4.800 2.900 1.200 peak 498 spectrum 1 weight 0.10000E+01 volume 0.11878E-03 ppm1 7.788 ppm2 8.362 CV 1 ASSI { 499} (( segid "SAP " and resid 122 and name HA )) (( segid "SAP " and resid 124 and name HN )) 4.200 2.200 1.800 peak 499 spectrum 1 weight 0.10000E+01 volume 0.28416E-03 ppm1 8.208 ppm2 3.992 CV 1 ASSI { 500} (( segid "SAP " and resid 124 and name HB1 )) (( segid "SAP " and resid 124 and name HN )) 3.600 1.600 1.600 peak 500 spectrum 1 weight 0.10000E+01 volume 0.62017E-03 ppm1 8.204 ppm2 2.806 CV 1 ASSI { 501} (( segid "SAP " and resid 124 and name HB1 )) (( segid "SAP " and resid 125 and name HN )) 4.700 2.700 1.300 peak 501 spectrum 1 weight 0.10000E+01 volume 0.15346E-03 ppm1 8.102 ppm2 2.799 CV 1 ASSI { 502} (( segid "SAP " and resid 110 and name HB1 )) (( segid "SAP " and resid 81 and name HN )) 4.100 2.100 1.900 peak 502 spectrum 1 weight 0.10000E+01 volume 0.25227E-03 ppm1 8.089 ppm2 3.186 CV 1 ASSI { 503} (( segid "SAP " and resid 112 and name HB1 )) (( segid "SAP " and resid 81 and name HN )) 4.100 2.100 1.900 peak 503 spectrum 1 weight 0.10000E+01 volume 0.58864E-03 ppm1 8.089 ppm2 3.380 CV 1 ASSI { 507} (( segid "SAP " and resid 82 and name HB1 )) (( segid "SAP " and resid 82 and name HN )) 2.900 1.000 1.000 peak 507 spectrum 1 weight 0.10000E+01 volume 0.22039E-02 ppm1 8.693 ppm2 2.791 CV 1 ASSI { 508} ( segid "SAP " and resid 106 and name HB% ) (( segid "SAP " and resid 68 and name HN )) 4.600 2.600 1.400 peak 508 spectrum 1 weight 0.10000E+01 volume 0.18816E-03 ppm1 8.173 ppm2 1.300 CV 1 ASSI { 509} (( segid "SAP " and resid 111 and name HB )) (( segid "SAP " and resid 68 and name HN )) 4.800 2.900 1.200 peak 509 spectrum 1 weight 0.10000E+01 volume 0.13945E-03 ppm1 8.163 ppm2 2.047 CV 1 ASSI { 510} (( segid "SAP " and resid 67 and name HB1 )) (( segid "SAP " and resid 68 and name HN )) 4.600 2.600 1.400 peak 510 spectrum 1 weight 0.10000E+01 volume 0.16573E-03 ppm1 8.171 ppm2 3.176 CV 1 ASSI { 511} (( segid "SAP " and resid 67 and name HB2 )) (( segid "SAP " and resid 68 and name HN )) 4.900 3.000 1.100 peak 511 spectrum 1 weight 0.10000E+01 volume 0.16082E-03 ppm1 8.162 ppm2 2.914 CV 1 ASSI { 512} (( segid "SAP " and resid 102 and name HA )) (( segid "SAP " and resid 70 and name HN )) 4.500 2.600 1.500 peak 512 spectrum 1 weight 0.10000E+01 volume 0.16748E-03 ppm1 8.873 ppm2 3.769 CV 1 ASSI { 1} ( segid "SAP " and resid 80 and name HB% ) (( segid "SAP " and resid 108 and name HE1 )) 3.000 1.100 1.100 peak 1 spectrum 1 weight 0.10000E+01 volume 0.19906E-02 ppm1 8.059 ppm2 1.121 CV 1 ASSI { 2} (( segid "SAP " and resid 65 and name HB1 )) (( segid "SAP " and resid 108 and name HE1 )) 3.600 1.600 1.600 peak 2 spectrum 1 weight 0.10000E+01 volume 0.62788E-03 ppm1 8.057 ppm2 1.655 CV 1 OR { 2} (( segid "SAP " and resid 65 and name HB2 )) (( segid "SAP " and resid 108 and name HE1 )) ASSI { 3} (( segid "SAP " and resid 65 and name HG1 )) (( segid "SAP " and resid 108 and name HE1 )) 4.400 2.400 1.600 peak 3 spectrum 1 weight 0.10000E+01 volume 0.26046E-03 ppm1 8.060 ppm2 1.961 CV 1 OR { 3} (( segid "SAP " and resid 65 and name HG2 )) (( segid "SAP " and resid 108 and name HE1 )) ASSI { 4} (( segid "SAP " and resid 68 and name HB2 )) (( segid "SAP " and resid 108 and name HE1 )) 3.800 1.800 1.800 peak 4 spectrum 1 weight 0.10000E+01 volume 0.74772E-03 ppm1 8.057 ppm2 2.388 CV 1 ASSI { 5} (( segid "SAP " and resid 110 and name HB2 )) (( segid "SAP " and resid 108 and name HE1 )) 3.000 1.100 1.100 peak 5 spectrum 1 weight 0.10000E+01 volume 0.19312E-02 ppm1 8.057 ppm2 2.854 CV 1 ASSI { 7} (( segid "SAP " and resid 67 and name HA )) (( segid "SAP " and resid 108 and name HE1 )) 3.500 1.500 1.500 peak 7 spectrum 1 weight 0.10000E+01 volume 0.71404E-03 ppm1 8.057 ppm2 4.170 CV 1 ASSI { 8} (( segid "SAP " and resid 71 and name HB2 )) (( segid "SAP " and resid 115 and name HE1 )) 3.500 1.500 1.500 peak 8 spectrum 1 weight 0.10000E+01 volume 0.88834E-03 ppm1 8.312 ppm2 1.610 CV 1 ASSI { 9} (( segid "SAP " and resid 71 and name HB1 )) (( segid "SAP " and resid 115 and name HE1 )) 4.100 2.100 1.900 peak 9 spectrum 1 weight 0.10000E+01 volume 0.46943E-03 ppm1 8.315 ppm2 2.161 CV 1 OR { 9} (( segid "SAP " and resid 71 and name HG1 )) (( segid "SAP " and resid 115 and name HE1 )) ASSI { 10} (( segid "SAP " and resid 76 and name HB2 )) (( segid "SAP " and resid 115 and name HE1 )) 2.500 0.800 0.800 peak 10 spectrum 1 weight 0.10000E+01 volume 0.42288E-02 ppm1 8.312 ppm2 2.870 CV 1 ASSI { 11} (( segid "SAP " and resid 76 and name HB1 )) (( segid "SAP " and resid 115 and name HE1 )) 3.400 1.500 1.500 peak 11 spectrum 1 weight 0.10000E+01 volume 0.19213E-02 ppm1 8.313 ppm2 3.061 CV 1 ASSI { 12} (( segid "SAP " and resid 76 and name HA )) (( segid "SAP " and resid 115 and name HE1 )) 4.300 2.300 1.700 peak 12 spectrum 1 weight 0.10000E+01 volume 0.47042E-03 ppm1 8.313 ppm2 4.191 CV 1 ASSI { 17} ( segid "SAP " and resid 118 and name HD1%) ( segid "SAP " and resid 114 and name HD% ) 3.700 1.700 1.700 peak 17 spectrum 1 weight 0.10000E+01 volume 0.52390E-03 ppm1 6.320 ppm2 0.839 CV 1 ASSI { 18} (( segid "SAP " and resid 114 and name HB2 )) ( segid "SAP " and resid 114 and name HD% ) 2.500 0.800 0.800 peak 18 spectrum 1 weight 0.10000E+01 volume 0.46249E-02 ppm1 6.320 ppm2 2.996 CV 1 ASSI { 19} (( segid "SAP " and resid 114 and name HB1 )) ( segid "SAP " and resid 114 and name HD% ) 2.400 0.700 0.700 peak 19 spectrum 1 weight 0.10000E+01 volume 0.51300E-02 ppm1 6.320 ppm2 3.575 CV 1 ASSI { 20} (( segid "SAP " and resid 114 and name HA )) ( segid "SAP " and resid 114 and name HD% ) 2.800 1.000 1.000 peak 20 spectrum 1 weight 0.10000E+01 volume 0.26245E-02 ppm1 6.320 ppm2 4.117 CV 1 ASSI { 22} ( segid "SAP " and resid 69 and name HD2%) ( segid "SAP " and resid 85 and name HD% ) 3.000 1.100 1.100 peak 22 spectrum 1 weight 0.10000E+01 volume 0.14954E-02 ppm1 6.990 ppm2 -0.089 CV 1 ASSI { 23} ( segid "SAP " and resid 69 and name HD1%) ( segid "SAP " and resid 85 and name HD% ) 3.800 1.800 1.800 peak 23 spectrum 1 weight 0.10000E+01 volume 0.40208E-03 ppm1 6.992 ppm2 0.294 CV 1 ASSI { 27} (( segid "SAP " and resid 109 and name HB1 )) ( segid "SAP " and resid 85 and name HD% ) 4.100 2.100 1.900 peak 27 spectrum 1 weight 0.10000E+01 volume 0.38326E-03 ppm1 6.985 ppm2 1.823 CV 1 ASSI { 30} (( segid "SAP " and resid 85 and name HB1 )) ( segid "SAP " and resid 85 and name HD% ) 2.700 0.900 0.900 peak 30 spectrum 1 weight 0.10000E+01 volume 0.23471E-02 ppm1 6.988 ppm2 3.034 CV 1 ASSI { 32} ( segid "SAP " and resid 69 and name HD2%) ( segid "SAP " and resid 85 and name HE% ) 3.500 1.500 1.500 peak 32 spectrum 1 weight 0.10000E+01 volume 0.57638E-03 ppm1 7.092 ppm2 -0.105 CV 1 ASSI { 33} ( segid "SAP " and resid 102 and name HD1%) ( segid "SAP " and resid 85 and name HE% ) 3.100 1.200 1.200 peak 33 spectrum 1 weight 0.10000E+01 volume 0.15350E-02 ppm1 7.095 ppm2 0.690 CV 1 ASSI { 34} ( segid "SAP " and resid 93 and name HD1%) ( segid "SAP " and resid 85 and name HE% ) 2.400 0.700 0.700 peak 34 spectrum 1 weight 0.10000E+01 volume 0.53182E-02 ppm1 7.093 ppm2 0.877 CV 1 ASSI { 36} (( segid "SAP " and resid 90 and name HB2 )) ( segid "SAP " and resid 85 and name HE% ) 3.200 1.300 1.300 peak 36 spectrum 1 weight 0.10000E+01 volume 0.85863E-03 ppm1 7.095 ppm2 1.822 CV 1 ASSI { 37} (( segid "SAP " and resid 90 and name HG2 )) ( segid "SAP " and resid 85 and name HE% ) 3.600 1.600 1.600 peak 37 spectrum 1 weight 0.10000E+01 volume 0.10002E-02 ppm1 7.090 ppm2 2.053 CV 1 OR { 37} (( segid "SAP " and resid 90 and name HB1 )) ( segid "SAP " and resid 85 and name HE% ) OR { 37} (( segid "SAP " and resid 90 and name HG1 )) ( segid "SAP " and resid 85 and name HE% ) ASSI { 38} (( segid "SAP " and resid 85 and name HB2 )) ( segid "SAP " and resid 85 and name HE% ) 4.400 2.400 1.600 peak 38 spectrum 1 weight 0.10000E+01 volume 0.35454E-03 ppm1 7.095 ppm2 2.660 CV 1 ASSI { 39} (( segid "SAP " and resid 85 and name HB1 )) ( segid "SAP " and resid 85 and name HE% ) 4.300 2.300 1.700 peak 39 spectrum 1 weight 0.10000E+01 volume 0.43179E-03 ppm1 7.096 ppm2 3.032 CV 1 ASSI { 40} (( segid "SAP " and resid 90 and name HA )) ( segid "SAP " and resid 85 and name HE% ) 4.100 2.100 1.900 peak 40 spectrum 1 weight 0.10000E+01 volume 0.35356E-03 ppm1 7.090 ppm2 3.670 CV 1 ASSI { 41} (( segid "SAP " and resid 85 and name HA )) ( segid "SAP " and resid 85 and name HE% ) 3.900 1.900 1.900 peak 41 spectrum 1 weight 0.10000E+01 volume 0.57341E-03 ppm1 7.094 ppm2 4.346 CV 1 ASSI { 43} ( segid "SAP " and resid 102 and name HD2%) (( segid "SAP " and resid 85 and name HZ )) 3.600 1.600 1.600 peak 43 spectrum 1 weight 0.10000E+01 volume 0.68928E-03 ppm1 7.162 ppm2 0.623 CV 1 ASSI { 45} (( segid "SAP " and resid 102 and name HG )) (( segid "SAP " and resid 85 and name HZ )) 3.800 3.800 2.200 peak 45 spectrum 1 weight 0.10000E+01 volume 0.53974E-03 ppm1 7.166 ppm2 1.074 CV 1 ASSI { 46} (( segid "SAP " and resid 90 and name HB2 )) (( segid "SAP " and resid 85 and name HZ )) 3.500 1.600 1.600 peak 46 spectrum 1 weight 0.10000E+01 volume 0.49617E-03 ppm1 7.168 ppm2 1.829 CV 1 ASSI { 47} (( segid "SAP " and resid 90 and name HG2 )) (( segid "SAP " and resid 85 and name HZ )) 3.600 1.700 1.700 peak 47 spectrum 1 weight 0.10000E+01 volume 0.86459E-03 ppm1 7.166 ppm2 2.040 CV 1 OR { 47} (( segid "SAP " and resid 90 and name HG1 )) (( segid "SAP " and resid 85 and name HZ )) OR { 47} (( segid "SAP " and resid 90 and name HB1 )) (( segid "SAP " and resid 85 and name HZ )) ASSI { 48} (( segid "SAP " and resid 90 and name HA )) (( segid "SAP " and resid 85 and name HZ )) 3.700 1.700 1.700 peak 48 spectrum 1 weight 0.10000E+01 volume 0.47834E-03 ppm1 7.164 ppm2 3.670 CV 1 ASSI { 49} ( segid "SAP " and resid 69 and name HD1%) (( segid "SAP " and resid 115 and name HD2 )) 4.100 2.100 1.900 peak 49 spectrum 1 weight 0.10000E+01 volume 0.37336E-03 ppm1 6.870 ppm2 0.286 CV 1 ASSI { 50} ( segid "SAP " and resid 100 and name HD1%) (( segid "SAP " and resid 115 and name HD2 )) 2.800 1.000 1.000 peak 50 spectrum 1 weight 0.10000E+01 volume 0.23372E-02 ppm1 6.868 ppm2 0.697 CV 1 ASSI { 51} ( segid "SAP " and resid 118 and name HD1%) (( segid "SAP " and resid 115 and name HD2 )) 2.400 0.700 0.700 peak 51 spectrum 1 weight 0.10000E+01 volume 0.62788E-02 ppm1 6.869 ppm2 0.851 CV 1 ASSI { 52} (( segid "SAP " and resid 118 and name HB2 )) (( segid "SAP " and resid 115 and name HD2 )) 4.100 2.100 1.900 peak 52 spectrum 1 weight 0.10000E+01 volume 0.46448E-03 ppm1 6.872 ppm2 1.310 CV 1 ASSI { 55} (( segid "SAP " and resid 115 and name HB2 )) (( segid "SAP " and resid 115 and name HD2 )) 3.600 1.700 1.700 peak 55 spectrum 1 weight 0.10000E+01 volume 0.10299E-02 ppm1 6.868 ppm2 2.717 CV 1 ASSI { 56} (( segid "SAP " and resid 115 and name HB1 )) (( segid "SAP " and resid 115 and name HD2 )) 3.500 1.500 1.500 peak 56 spectrum 1 weight 0.10000E+01 volume 0.60114E-03 ppm1 6.872 ppm2 3.773 CV 1 ASSI { 57} (( segid "SAP " and resid 115 and name HA )) (( segid "SAP " and resid 115 and name HD2 )) 2.600 0.800 0.800 peak 57 spectrum 1 weight 0.10000E+01 volume 0.42783E-02 ppm1 6.867 ppm2 4.068 CV 1 ASSI { 58} ( segid "SAP " and resid 106 and name HB% ) (( segid "SAP " and resid 108 and name HD2 )) 3.600 1.600 1.600 peak 58 spectrum 1 weight 0.10000E+01 volume 0.76950E-03 ppm1 7.010 ppm2 1.336 CV 1 ASSI { 59} (( segid "SAP " and resid 65 and name HB1 )) (( segid "SAP " and resid 108 and name HD2 )) 3.600 1.600 1.600 peak 59 spectrum 1 weight 0.10000E+01 volume 0.80417E-03 ppm1 7.005 ppm2 1.657 CV 1 OR { 59} (( segid "SAP " and resid 65 and name HB2 )) (( segid "SAP " and resid 108 and name HD2 )) ASSI { 60} (( segid "SAP " and resid 65 and name HG1 )) (( segid "SAP " and resid 108 and name HD2 )) 3.400 1.400 1.400 peak 60 spectrum 1 weight 0.10000E+01 volume 0.93388E-03 ppm1 7.005 ppm2 1.960 CV 1 OR { 60} (( segid "SAP " and resid 65 and name HG2 )) (( segid "SAP " and resid 108 and name HD2 )) ASSI { 61} (( segid "SAP " and resid 108 and name HB1 )) (( segid "SAP " and resid 108 and name HD2 )) 3.000 1.100 1.100 peak 61 spectrum 1 weight 0.10000E+01 volume 0.14855E-02 ppm1 7.007 ppm2 3.206 CV 1 ASSI { 62} (( segid "SAP " and resid 110 and name HB2 )) ( segid "SAP " and resid 110 and name HE% ) 4.200 2.200 1.800 peak 62 spectrum 1 weight 0.10000E+01 volume 0.53479E-03 ppm1 6.815 ppm2 2.867 CV 1 ASSI { 64} (( segid "SAP " and resid 84 and name HB2 )) ( segid "SAP " and resid 110 and name HE% ) 3.800 1.800 1.800 peak 64 spectrum 1 weight 0.10000E+01 volume 0.46745E-03 ppm1 6.813 ppm2 3.465 CV 1 OR { 64} (( segid "SAP " and resid 84 and name HB1 )) ( segid "SAP " and resid 110 and name HE% ) ASSI { 65} ( segid "SAP " and resid 118 and name HD1%) ( segid "SAP " and resid 114 and name HE% ) 2.800 0.900 0.900 peak 65 spectrum 1 weight 0.10000E+01 volume 0.26145E-02 ppm1 6.505 ppm2 0.838 CV 1 ASSI { 68} (( segid "SAP " and resid 115 and name HD2 )) ( segid "SAP " and resid 114 and name HE% ) 2.900 1.100 1.100 peak 68 spectrum 1 weight 0.10000E+01 volume 0.21194E-02 ppm1 6.506 ppm2 6.864 CV 1 ASSI { 69} (( segid "SAP " and resid 115 and name HD2 )) ( segid "SAP " and resid 114 and name HD% ) 3.200 1.300 1.300 peak 69 spectrum 1 weight 0.10000E+01 volume 0.10795E-02 ppm1 6.322 ppm2 6.860 CV 1 ASSI { 44} (( segid "SAP " and resid 100 and name HB )) ( segid "SAP " and resid 119 and name HD1%) 3.800 1.800 1.800 peak 44 spectrum 1 weight 0.10000E+01 volume 0.45655E-03 ppm1 0.781 ppm2 1.473 CV 1 OR { 44} (( segid "SAP " and resid 100 and name HG11)) ( segid "SAP " and resid 119 and name HD1%) OR { 44} (( segid "SAP " and resid 118 and name HG )) ( segid "SAP " and resid 119 and name HD1%) ASSI { 49} (( segid "SAP " and resid 119 and name HB )) ( segid "SAP " and resid 93 and name HD1%) 3.700 1.700 1.700 peak 49 spectrum 1 weight 0.10000E+01 volume 0.80980E-03 ppm1 0.872 ppm2 1.855 CV 1 OR { 49} (( segid "SAP " and resid 96 and name HB2 )) ( segid "SAP " and resid 93 and name HD1%) ASSI { 51} (( segid "SAP " and resid 93 and name HB )) ( segid "SAP " and resid 119 and name HD1%) 4.300 2.400 1.700 peak 51 spectrum 1 weight 0.10000E+01 volume 0.33658E-03 ppm1 0.787 ppm2 2.057 CV 1 OR { 51} (( segid "SAP " and resid 111 and name HB )) ( segid "SAP " and resid 119 and name HD1%) ASSI { 55} (( segid "SAP " and resid 116 and name HA )) ( segid "SAP " and resid 119 and name HD1%) 3.100 1.200 1.200 peak 55 spectrum 1 weight 0.10000E+01 volume 0.11597E-02 ppm1 0.779 ppm2 3.723 CV 1 OR { 55} (( segid "SAP " and resid 115 and name HB1 )) ( segid "SAP " and resid 119 and name HD1%) ASSI { 69} ( segid "SAP " and resid 118 and name HD1%) (( segid "SAP " and resid 118 and name HB2 )) 2.300 0.700 0.700 peak 69 spectrum 1 weight 0.10000E+01 volume 0.69983E-02 ppm1 1.284 ppm2 0.831 CV 1 OR { 69} ( segid "SAP " and resid 109 and name HD1%) (( segid "SAP " and resid 109 and name HB2 )) ASSI { 77} (( segid "SAP " and resid 111 and name HG12)) ( segid "SAP " and resid 111 and name HD1%) 1.700 0.400 0.500 peak 77 spectrum 1 weight 0.10000E+01 volume 0.44655E-01 ppm1 0.665 ppm2 0.878 CV 1 OR { 77} (( segid "SAP " and resid 100 and name HG12)) ( segid "SAP " and resid 100 and name HD1%) ASSI { 79} (( segid "SAP " and resid 116 and name HA )) ( segid "SAP " and resid 111 and name HD1%) 2.600 0.800 0.800 peak 79 spectrum 1 weight 0.10000E+01 volume 0.37324E-02 ppm1 0.652 ppm2 3.715 CV 1 OR { 79} (( segid "SAP " and resid 115 and name HB1 )) ( segid "SAP " and resid 111 and name HD1%) ASSI { 80} (( segid "SAP " and resid 111 and name HB )) ( segid "SAP " and resid 111 and name HD1%) 2.500 0.800 0.800 peak 80 spectrum 1 weight 0.10000E+01 volume 0.46322E-02 ppm1 0.654 ppm2 2.057 CV 1 OR { 80} (( segid "SAP " and resid 116 and name HB1 )) ( segid "SAP " and resid 111 and name HD1%) ASSI { 84} (( segid "SAP " and resid 84 and name HB2 )) (( segid "SAP " and resid 109 and name HB2 )) 3.800 1.800 1.800 peak 84 spectrum 1 weight 0.10000E+01 volume 0.49987E-03 ppm1 1.283 ppm2 3.444 CV 1 OR { 84} (( segid "SAP " and resid 84 and name HB1 )) (( segid "SAP " and resid 109 and name HB2 )) OR { 84} (( segid "SAP " and resid 119 and name HA )) (( segid "SAP " and resid 118 and name HB2 )) ASSI { 98} (( segid "SAP " and resid 66 and name HA )) (( segid "SAP " and resid 66 and name HB2 )) 2.700 0.900 0.900 peak 98 spectrum 1 weight 0.10000E+01 volume 0.28859E-02 ppm1 1.534 ppm2 4.601 CV 1 OR { 98} (( segid "SAP " and resid 69 and name HA )) (( segid "SAP " and resid 69 and name HB1 )) ASSI { 117} (( segid "SAP " and resid 100 and name HA )) ( segid "SAP " and resid 100 and name HD1%) 3.700 1.700 1.700 peak 117 spectrum 1 weight 0.10000E+01 volume 0.10098E-02 ppm1 0.671 ppm2 5.020 CV 1 OR { 117} (( segid "SAP " and resid 110 and name HA )) ( segid "SAP " and resid 111 and name HD1%) ASSI { 129} (( segid "SAP " and resid 70 and name HG1 )) (( segid "SAP " and resid 103 and name HB2 )) 3.000 1.100 1.100 peak 129 spectrum 1 weight 0.10000E+01 volume 0.15829E-02 ppm1 2.080 ppm2 1.318 CV 1 OR { 129} ( segid "SAP " and resid 106 and name HB% ) (( segid "SAP " and resid 103 and name HB2 )) ASSI { 138} (( segid "SAP " and resid 115 and name HB1 )) (( segid "SAP " and resid 111 and name HB )) 3.600 1.600 1.600 peak 138 spectrum 1 weight 0.10000E+01 volume 0.85978E-03 ppm1 2.058 ppm2 3.747 CV 1 OR { 138} (( segid "SAP " and resid 116 and name HA )) (( segid "SAP " and resid 111 and name HB )) ASSI { 143} (( segid "SAP " and resid 119 and name HB )) ( segid "SAP " and resid 89 and name HD1%) 3.900 1.900 1.900 peak 143 spectrum 1 weight 0.10000E+01 volume 0.28626E-03 ppm1 0.827 ppm2 1.863 CV 1 OR { 143} (( segid "SAP " and resid 116 and name HB2 )) ( segid "SAP " and resid 89 and name HD1%) ASSI { 151} (( segid "SAP " and resid 111 and name HG11)) ( segid "SAP " and resid 111 and name HD1%) 1.900 0.500 0.500 peak 151 spectrum 1 weight 0.10000E+01 volume 0.22728E-01 ppm1 0.665 ppm2 1.481 CV 1 OR { 151} (( segid "SAP " and resid 100 and name HG11)) ( segid "SAP " and resid 100 and name HD1%) OR { 151} (( segid "SAP " and resid 100 and name HB )) ( segid "SAP " and resid 100 and name HD1%) ASSI { 155} (( segid "SAP " and resid 116 and name HD1 )) ( segid "SAP " and resid 111 and name HD1%) 3.100 1.200 1.200 peak 155 spectrum 1 weight 0.10000E+01 volume 0.14097E-02 ppm1 0.665 ppm2 1.789 CV 1 OR { 155} (( segid "SAP " and resid 119 and name HG11)) ( segid "SAP " and resid 100 and name HD1%) OR { 155} (( segid "SAP " and resid 119 and name HG11)) ( segid "SAP " and resid 111 and name HD1%) ASSI { 161} ( segid "SAP " and resid 89 and name HD1%) (( segid "SAP " and resid 88 and name HD2 )) 2.900 1.000 1.000 peak 161 spectrum 1 weight 0.10000E+01 volume 0.15863E-02 ppm1 3.137 ppm2 0.862 CV 1 OR { 161} ( segid "SAP " and resid 89 and name HD1%) (( segid "SAP " and resid 88 and name HD1 )) OR { 161} ( segid "SAP " and resid 119 and name HG2%) (( segid "SAP " and resid 88 and name HD1 )) ASSI { 163} (( segid "SAP " and resid 88 and name HG1 )) (( segid "SAP " and resid 88 and name HD1 )) 2.200 0.600 0.600 peak 163 spectrum 1 weight 0.10000E+01 volume 0.10898E-01 ppm1 3.142 ppm2 1.580 CV 1 OR { 163} (( segid "SAP " and resid 126 and name HG1 )) (( segid "SAP " and resid 126 and name HD2 )) OR { 163} (( segid "SAP " and resid 128 and name HG2 )) (( segid "SAP " and resid 128 and name HD2 )) OR { 163} (( segid "SAP " and resid 123 and name HG2 )) (( segid "SAP " and resid 123 and name HD2 )) OR { 163} (( segid "SAP " and resid 128 and name HG1 )) (( segid "SAP " and resid 128 and name HD2 )) OR { 163} (( segid "SAP " and resid 126 and name HG2 )) (( segid "SAP " and resid 126 and name HD1 )) OR { 163} (( segid "SAP " and resid 88 and name HG2 )) (( segid "SAP " and resid 88 and name HD2 )) OR { 163} (( segid "SAP " and resid 123 and name HG2 )) (( segid "SAP " and resid 123 and name HD1 )) OR { 163} (( segid "SAP " and resid 126 and name HG2 )) (( segid "SAP " and resid 126 and name HD2 )) OR { 163} (( segid "SAP " and resid 88 and name HG2 )) (( segid "SAP " and resid 88 and name HD1 )) OR { 163} (( segid "SAP " and resid 126 and name HG1 )) (( segid "SAP " and resid 126 and name HD1 )) OR { 163} (( segid "SAP " and resid 128 and name HG1 )) (( segid "SAP " and resid 128 and name HD1 )) ASSI { 164} (( segid "SAP " and resid 123 and name HG1 )) (( segid "SAP " and resid 123 and name HD1 )) 2.300 0.600 0.600 peak 164 spectrum 1 weight 0.10000E+01 volume 0.88646E-02 ppm1 3.139 ppm2 1.684 CV 1 OR { 164} (( segid "SAP " and resid 123 and name HG1 )) (( segid "SAP " and resid 123 and name HD2 )) OR { 164} (( segid "SAP " and resid 88 and name HB2 )) (( segid "SAP " and resid 88 and name HD2 )) ASSI { 165} (( segid "SAP " and resid 88 and name HB1 )) (( segid "SAP " and resid 88 and name HD2 )) 2.400 0.700 0.700 peak 165 spectrum 1 weight 0.10000E+01 volume 0.58319E-02 ppm1 3.142 ppm2 1.764 CV 1 OR { 165} (( segid "SAP " and resid 128 and name HB2 )) (( segid "SAP " and resid 128 and name HD1 )) OR { 165} (( segid "SAP " and resid 126 and name HB1 )) (( segid "SAP " and resid 126 and name HD1 )) OR { 165} (( segid "SAP " and resid 126 and name HB2 )) (( segid "SAP " and resid 126 and name HD1 )) OR { 165} (( segid "SAP " and resid 88 and name HB1 )) (( segid "SAP " and resid 88 and name HD1 )) OR { 165} (( segid "SAP " and resid 128 and name HB1 )) (( segid "SAP " and resid 128 and name HD1 )) OR { 165} (( segid "SAP " and resid 126 and name HB2 )) (( segid "SAP " and resid 126 and name HD2 )) OR { 165} (( segid "SAP " and resid 123 and name HB2 )) (( segid "SAP " and resid 123 and name HD2 )) OR { 165} (( segid "SAP " and resid 128 and name HB2 )) (( segid "SAP " and resid 128 and name HD2 )) OR { 165} (( segid "SAP " and resid 126 and name HB1 )) (( segid "SAP " and resid 126 and name HD2 )) OR { 165} (( segid "SAP " and resid 125 and name HB2 )) (( segid "SAP " and resid 125 and name HD1 )) ASSI { 170} (( segid "SAP " and resid 107 and name HA )) (( segid "SAP " and resid 107 and name HD2 )) 3.300 1.400 1.400 peak 170 spectrum 1 weight 0.10000E+01 volume 0.11530E-02 ppm1 3.177 ppm2 4.270 CV 1 OR { 170} (( segid "SAP " and resid 125 and name HA )) (( segid "SAP " and resid 125 and name HD2 )) OR { 170} (( segid "SAP " and resid 125 and name HA )) (( segid "SAP " and resid 125 and name HD1 )) OR { 170} (( segid "SAP " and resid 126 and name HA )) (( segid "SAP " and resid 126 and name HD1 )) OR { 170} (( segid "SAP " and resid 107 and name HA )) (( segid "SAP " and resid 107 and name HD1 )) OR { 170} (( segid "SAP " and resid 126 and name HA )) (( segid "SAP " and resid 126 and name HD2 )) OR { 170} (( segid "SAP " and resid 128 and name HA )) (( segid "SAP " and resid 128 and name HD1 )) ASSI { 172} (( segid "SAP " and resid 125 and name HB1 )) (( segid "SAP " and resid 125 and name HD2 )) 2.600 0.900 0.900 peak 172 spectrum 1 weight 0.10000E+01 volume 0.40323E-02 ppm1 3.179 ppm2 1.843 CV 1 OR { 172} (( segid "SAP " and resid 123 and name HB1 )) (( segid "SAP " and resid 123 and name HD1 )) OR { 172} (( segid "SAP " and resid 123 and name HB1 )) (( segid "SAP " and resid 123 and name HD2 )) OR { 172} (( segid "SAP " and resid 125 and name HB1 )) (( segid "SAP " and resid 125 and name HD1 )) ASSI { 173} (( segid "SAP " and resid 88 and name HG1 )) (( segid "SAP " and resid 88 and name HD1 )) 2.100 0.600 0.600 peak 173 spectrum 1 weight 0.10000E+01 volume 0.12497E-01 ppm1 3.177 ppm2 1.617 CV 1 OR { 173} (( segid "SAP " and resid 126 and name HG1 )) (( segid "SAP " and resid 126 and name HD2 )) OR { 173} (( segid "SAP " and resid 128 and name HG2 )) (( segid "SAP " and resid 128 and name HD2 )) OR { 173} (( segid "SAP " and resid 125 and name HG1 )) (( segid "SAP " and resid 125 and name HD1 )) OR { 173} (( segid "SAP " and resid 125 and name HG2 )) (( segid "SAP " and resid 125 and name HD2 )) OR { 173} (( segid "SAP " and resid 128 and name HG1 )) (( segid "SAP " and resid 128 and name HD2 )) OR { 173} (( segid "SAP " and resid 126 and name HG2 )) (( segid "SAP " and resid 126 and name HD1 )) OR { 173} (( segid "SAP " and resid 107 and name HG2 )) (( segid "SAP " and resid 107 and name HD1 )) OR { 173} (( segid "SAP " and resid 126 and name HG2 )) (( segid "SAP " and resid 126 and name HD2 )) OR { 173} (( segid "SAP " and resid 126 and name HG1 )) (( segid "SAP " and resid 126 and name HD1 )) OR { 173} (( segid "SAP " and resid 128 and name HG1 )) (( segid "SAP " and resid 128 and name HD1 )) OR { 173} (( segid "SAP " and resid 125 and name HG1 )) (( segid "SAP " and resid 125 and name HD2 )) OR { 173} (( segid "SAP " and resid 107 and name HG2 )) (( segid "SAP " and resid 107 and name HD2 )) ASSI { 175} (( segid "SAP " and resid 88 and name HB1 )) (( segid "SAP " and resid 88 and name HD2 )) 2.300 0.700 0.700 peak 175 spectrum 1 weight 0.10000E+01 volume 0.83978E-02 ppm1 3.176 ppm2 1.761 CV 1 OR { 175} (( segid "SAP " and resid 128 and name HB2 )) (( segid "SAP " and resid 128 and name HD1 )) OR { 175} (( segid "SAP " and resid 126 and name HB2 )) (( segid "SAP " and resid 126 and name HD1 )) OR { 175} (( segid "SAP " and resid 88 and name HB1 )) (( segid "SAP " and resid 88 and name HD1 )) OR { 175} (( segid "SAP " and resid 128 and name HB1 )) (( segid "SAP " and resid 128 and name HD1 )) OR { 175} (( segid "SAP " and resid 126 and name HB2 )) (( segid "SAP " and resid 126 and name HD2 )) OR { 175} (( segid "SAP " and resid 123 and name HB2 )) (( segid "SAP " and resid 123 and name HD2 )) OR { 175} (( segid "SAP " and resid 123 and name HB2 )) (( segid "SAP " and resid 123 and name HD1 )) OR { 175} (( segid "SAP " and resid 128 and name HB2 )) (( segid "SAP " and resid 128 and name HD2 )) OR { 175} (( segid "SAP " and resid 125 and name HB2 )) (( segid "SAP " and resid 125 and name HD1 )) ASSI { 176} (( segid "SAP " and resid 122 and name HA )) (( segid "SAP " and resid 123 and name HD1 )) 4.300 2.300 1.700 peak 176 spectrum 1 weight 0.10000E+01 volume 0.21961E-03 ppm1 3.177 ppm2 4.026 CV 1 OR { 176} (( segid "SAP " and resid 122 and name HA )) (( segid "SAP " and resid 123 and name HD2 )) OR { 176} (( segid "SAP " and resid 130 and name HA1 )) (( segid "SAP " and resid 128 and name HD1 )) OR { 176} (( segid "SAP " and resid 130 and name HA1 )) (( segid "SAP " and resid 128 and name HD2 )) ASSI { 180} (( segid "SAP " and resid 116 and name HB2 )) (( segid "SAP " and resid 116 and name HE1 )) 3.500 1.600 1.600 peak 180 spectrum 1 weight 0.10000E+01 volume 0.75647E-03 ppm1 2.904 ppm2 1.881 CV 1 OR { 180} (( segid "SAP " and resid 116 and name HB2 )) (( segid "SAP " and resid 116 and name HE2 )) OR { 180} (( segid "SAP " and resid 99 and name HB1 )) (( segid "SAP " and resid 99 and name HE1 )) OR { 180} (( segid "SAP " and resid 99 and name HB1 )) (( segid "SAP " and resid 99 and name HE2 )) OR { 180} (( segid "SAP " and resid 99 and name HB2 )) (( segid "SAP " and resid 99 and name HE1 )) OR { 180} (( segid "SAP " and resid 99 and name HB2 )) (( segid "SAP " and resid 99 and name HE2 )) ASSI { 182} (( segid "SAP " and resid 91 and name HG2 )) (( segid "SAP " and resid 91 and name HE1 )) 3.000 1.100 1.100 peak 182 spectrum 1 weight 0.10000E+01 volume 0.19595E-02 ppm1 2.902 ppm2 1.411 CV 1 OR { 182} (( segid "SAP " and resid 91 and name HG2 )) (( segid "SAP " and resid 91 and name HE2 )) OR { 182} (( segid "SAP " and resid 99 and name HG1 )) (( segid "SAP " and resid 99 and name HE2 )) OR { 182} (( segid "SAP " and resid 99 and name HG1 )) (( segid "SAP " and resid 99 and name HE1 )) OR { 182} (( segid "SAP " and resid 116 and name HG1 )) (( segid "SAP " and resid 116 and name HE2 )) ASSI { 183} (( segid "SAP " and resid 91 and name HG1 )) (( segid "SAP " and resid 91 and name HE1 )) 3.000 1.100 1.100 peak 183 spectrum 1 weight 0.10000E+01 volume 0.18762E-02 ppm1 2.903 ppm2 1.487 CV 1 OR { 183} (( segid "SAP " and resid 91 and name HG1 )) (( segid "SAP " and resid 91 and name HE2 )) OR { 183} ( segid "SAP " and resid 83 and name HB% ) (( segid "SAP " and resid 116 and name HE2 )) ASSI { 186} ( segid "SAP " and resid 98 and name HG2%) (( segid "SAP " and resid 100 and name HB )) 2.600 0.800 0.800 peak 186 spectrum 1 weight 0.10000E+01 volume 0.38657E-02 ppm1 1.473 ppm2 0.891 CV 1 OR { 186} (( segid "SAP " and resid 100 and name HG12)) (( segid "SAP " and resid 100 and name HB )) ASSI { 190} ( segid "SAP " and resid 102 and name HD1%) (( segid "SAP " and resid 102 and name HB1 )) 2.200 0.600 0.600 peak 190 spectrum 1 weight 0.10000E+01 volume 0.10764E-01 ppm1 1.498 ppm2 0.674 CV 1 OR { 190} ( segid "SAP " and resid 102 and name HD2%) (( segid "SAP " and resid 102 and name HB1 )) OR { 190} ( segid "SAP " and resid 66 and name HD2%) (( segid "SAP " and resid 66 and name HB2 )) ASSI { 196} (( segid "SAP " and resid 74 and name HB2 )) (( segid "SAP " and resid 72 and name HB2 )) 4.000 2.000 2.000 peak 196 spectrum 1 weight 0.10000E+01 volume 0.34658E-03 ppm1 2.596 ppm2 1.876 CV 1 OR { 196} (( segid "SAP " and resid 99 and name HB2 )) (( segid "SAP " and resid 72 and name HB2 )) OR { 196} (( segid "SAP " and resid 116 and name HB2 )) (( segid "SAP " and resid 113 and name HB1 )) OR { 196} (( segid "SAP " and resid 99 and name HB1 )) (( segid "SAP " and resid 72 and name HB2 )) ASSI { 204} (( segid "SAP " and resid 125 and name HA )) (( segid "SAP " and resid 124 and name HB1 )) 4.400 2.400 1.600 peak 204 spectrum 1 weight 0.10000E+01 volume 0.14596E-03 ppm1 2.824 ppm2 4.299 CV 1 OR { 204} (( segid "SAP " and resid 65 and name HA )) (( segid "SAP " and resid 110 and name HB2 )) OR { 204} (( segid "SAP " and resid 121 and name HA )) (( segid "SAP " and resid 124 and name HB1 )) ASSI { 213} (( segid "SAP " and resid 111 and name HN )) (( segid "SAP " and resid 110 and name HB1 )) 4.800 2.900 1.200 peak 213 spectrum 1 weight 0.10000E+01 volume 0.21328E-03 ppm1 3.202 ppm2 0.037 CV 1 OR { 213} (( segid "SAP " and resid 110 and name HN )) (( segid "SAP " and resid 110 and name HB1 )) OR { 213} (( segid "SAP " and resid 108 and name HD1 )) (( segid "SAP " and resid 110 and name HB1 )) ASSI { 214} (( segid "SAP " and resid 108 and name HD1 )) (( segid "SAP " and resid 110 and name HB2 )) 3.500 3.500 2.500 peak 214 spectrum 1 weight 0.10000E+01 volume 0.56986E-03 ppm1 2.841 ppm2 0.033 CV 1 OR { 214} (( segid "SAP " and resid 110 and name HN )) (( segid "SAP " and resid 110 and name HB2 )) OR { 214} (( segid "SAP " and resid 82 and name HN )) (( segid "SAP " and resid 82 and name HB1 )) OR { 214} (( segid "SAP " and resid 82 and name HD21)) (( segid "SAP " and resid 82 and name HB1 )) ASSI { 224} ( segid "SAP " and resid 102 and name HD2%) (( segid "SAP " and resid 85 and name HB2 )) 3.600 1.600 1.600 peak 224 spectrum 1 weight 0.10000E+01 volume 0.46988E-03 ppm1 2.638 ppm2 0.646 CV 1 OR { 224} ( segid "SAP " and resid 111 and name HD1%) (( segid "SAP " and resid 85 and name HB2 )) OR { 224} ( segid "SAP " and resid 102 and name HD1%) (( segid "SAP " and resid 85 and name HB2 )) ASSI { 239} ( segid "SAP " and resid 111 and name HD1%) (( segid "SAP " and resid 119 and name HB )) 4.100 2.100 1.900 peak 239 spectrum 1 weight 0.10000E+01 volume 0.28726E-03 ppm1 1.871 ppm2 0.655 CV 1 OR { 239} ( segid "SAP " and resid 100 and name HD1%) (( segid "SAP " and resid 119 and name HB )) ASSI { 271} ( segid "SAP " and resid 109 and name HD1%) (( segid "SAP " and resid 84 and name HB2 )) 3.600 1.600 1.600 peak 271 spectrum 1 weight 0.10000E+01 volume 0.37324E-03 ppm1 3.434 ppm2 0.834 CV 1 OR { 271} ( segid "SAP " and resid 109 and name HD1%) (( segid "SAP " and resid 84 and name HB1 )) OR { 271} ( segid "SAP " and resid 89 and name HD1%) (( segid "SAP " and resid 84 and name HB1 )) OR { 271} ( segid "SAP " and resid 89 and name HD1%) (( segid "SAP " and resid 84 and name HB2 )) OR { 271} ( segid "SAP " and resid 109 and name HD2%) (( segid "SAP " and resid 84 and name HB1 )) ASSI { 276} (( segid "SAP " and resid 88 and name HB1 )) (( segid "SAP " and resid 86 and name HB1 )) 3.600 1.600 1.600 peak 276 spectrum 1 weight 0.10000E+01 volume 0.57652E-03 ppm1 4.144 ppm2 1.772 CV 1 OR { 276} (( segid "SAP " and resid 89 and name HB )) (( segid "SAP " and resid 86 and name HB1 )) OR { 276} (( segid "SAP " and resid 87 and name HB2 )) (( segid "SAP " and resid 86 and name HB1 )) ASSI { 277} (( segid "SAP " and resid 88 and name HB1 )) (( segid "SAP " and resid 86 and name HB2 )) 4.200 2.200 1.800 peak 277 spectrum 1 weight 0.10000E+01 volume 0.24994E-03 ppm1 3.786 ppm2 1.750 CV 1 OR { 277} (( segid "SAP " and resid 89 and name HB )) (( segid "SAP " and resid 86 and name HB2 )) OR { 277} (( segid "SAP " and resid 87 and name HB2 )) (( segid "SAP " and resid 86 and name HB2 )) ASSI { 281} (( segid "SAP " and resid 100 and name HG12)) (( segid "SAP " and resid 71 and name HG2 )) 3.400 1.400 1.400 peak 281 spectrum 1 weight 0.10000E+01 volume 0.81313E-03 ppm1 2.124 ppm2 0.889 CV 1 OR { 281} (( segid "SAP " and resid 100 and name HG12)) (( segid "SAP " and resid 71 and name HG1 )) OR { 281} ( segid "SAP " and resid 98 and name HG2%) (( segid "SAP " and resid 101 and name HG1 )) ASSI { 292} (( segid "SAP " and resid 118 and name HG )) (( segid "SAP " and resid 119 and name HA )) 4.800 2.900 1.200 peak 292 spectrum 1 weight 0.10000E+01 volume 0.13463E-03 ppm1 3.471 ppm2 1.444 CV 1 OR { 292} (( segid "SAP " and resid 96 and name HG2 )) (( segid "SAP " and resid 119 and name HA )) ASSI { 303} ( segid "SAP " and resid 119 and name HG2%) (( segid "SAP " and resid 120 and name HG1 )) 3.900 1.900 1.900 peak 303 spectrum 1 weight 0.10000E+01 volume 0.40989E-03 ppm1 2.490 ppm2 0.851 CV 1 OR { 303} ( segid "SAP " and resid 89 and name HD1%) (( segid "SAP " and resid 120 and name HG1 )) OR { 303} ( segid "SAP " and resid 89 and name HG2%) (( segid "SAP " and resid 120 and name HG1 )) ASSI { 304} ( segid "SAP " and resid 119 and name HG2%) (( segid "SAP " and resid 120 and name HG2 )) 3.900 1.900 1.900 peak 304 spectrum 1 weight 0.10000E+01 volume 0.34658E-03 ppm1 2.348 ppm2 0.847 CV 1 OR { 304} ( segid "SAP " and resid 89 and name HD1%) (( segid "SAP " and resid 120 and name HG2 )) ASSI { 305} (( segid "SAP " and resid 95 and name HB2 )) (( segid "SAP " and resid 95 and name HG1 )) 2.100 0.600 0.600 peak 305 spectrum 1 weight 0.10000E+01 volume 0.11830E-01 ppm1 2.488 ppm2 2.117 CV 1 OR { 305} (( segid "SAP " and resid 120 and name HB1 )) (( segid "SAP " and resid 120 and name HG1 )) OR { 305} (( segid "SAP " and resid 120 and name HB2 )) (( segid "SAP " and resid 120 and name HG1 )) ASSI { 306} (( segid "SAP " and resid 120 and name HB1 )) (( segid "SAP " and resid 120 and name HG2 )) 2.100 0.500 0.500 peak 306 spectrum 1 weight 0.10000E+01 volume 0.15263E-01 ppm1 2.356 ppm2 2.115 CV 1 OR { 306} (( segid "SAP " and resid 120 and name HB2 )) (( segid "SAP " and resid 120 and name HG2 )) OR { 306} (( segid "SAP " and resid 95 and name HB2 )) (( segid "SAP " and resid 95 and name HG2 )) ASSI { 311} (( segid "SAP " and resid 120 and name HG2 )) (( segid "SAP " and resid 120 and name HG1 )) 1.500 0.300 0.700 peak 311 spectrum 1 weight 0.10000E+01 volume 0.73982E-01 ppm1 2.491 ppm2 2.373 CV 1 OR { 311} (( segid "SAP " and resid 95 and name HG2 )) (( segid "SAP " and resid 95 and name HG1 )) ASSI { 325} (( segid "SAP " and resid 65 and name HB2 )) (( segid "SAP " and resid 65 and name HG2 )) 2.100 0.500 0.500 peak 325 spectrum 1 weight 0.10000E+01 volume 0.13796E-01 ppm1 1.939 ppm2 1.625 CV 1 OR { 325} (( segid "SAP " and resid 65 and name HB1 )) (( segid "SAP " and resid 65 and name HG1 )) OR { 325} (( segid "SAP " and resid 96 and name HG1 )) (( segid "SAP " and resid 96 and name HB1 )) OR { 325} (( segid "SAP " and resid 65 and name HB1 )) (( segid "SAP " and resid 65 and name HG2 )) OR { 325} (( segid "SAP " and resid 65 and name HB2 )) (( segid "SAP " and resid 65 and name HG1 )) ASSI { 327} (( segid "SAP " and resid 96 and name HA )) (( segid "SAP " and resid 96 and name HB1 )) 2.600 0.800 0.800 peak 327 spectrum 1 weight 0.10000E+01 volume 0.38990E-02 ppm1 1.939 ppm2 4.310 CV 1 OR { 327} (( segid "SAP " and resid 65 and name HA )) (( segid "SAP " and resid 65 and name HG2 )) ASSI { 328} (( segid "SAP " and resid 66 and name HA )) (( segid "SAP " and resid 65 and name HG1 )) 4.200 2.200 1.800 peak 328 spectrum 1 weight 0.10000E+01 volume 0.21594E-03 ppm1 1.941 ppm2 4.608 CV 1 OR { 328} (( segid "SAP " and resid 66 and name HA )) (( segid "SAP " and resid 65 and name HG2 )) OR { 328} (( segid "SAP " and resid 62 and name HA )) (( segid "SAP " and resid 65 and name HG1 )) ASSI { 340} (( segid "SAP " and resid 127 and name HA )) (( segid "SAP " and resid 127 and name HB2 )) 3.000 1.100 1.100 peak 340 spectrum 1 weight 0.10000E+01 volume 0.16896E-02 ppm1 1.771 ppm2 4.252 CV 1 OR { 340} (( segid "SAP " and resid 129 and name HA )) (( segid "SAP " and resid 129 and name HB1 )) OR { 340} (( segid "SAP " and resid 129 and name HA )) (( segid "SAP " and resid 129 and name HB2 )) OR { 340} (( segid "SAP " and resid 127 and name HA )) (( segid "SAP " and resid 127 and name HB1 )) ASSI { 345} (( segid "SAP " and resid 103 and name HB2 )) (( segid "SAP " and resid 70 and name HB1 )) 3.800 1.800 1.800 peak 345 spectrum 1 weight 0.10000E+01 volume 0.30226E-03 ppm1 1.413 ppm2 2.083 CV 1 OR { 345} (( segid "SAP " and resid 101 and name HG1 )) (( segid "SAP " and resid 70 and name HB1 )) ASSI { 364} (( segid "SAP " and resid 123 and name HB1 )) (( segid "SAP " and resid 122 and name HA )) 4.000 2.000 2.000 peak 364 spectrum 1 weight 0.10000E+01 volume 0.33991E-03 ppm1 4.022 ppm2 1.854 CV 1 OR { 364} (( segid "SAP " and resid 91 and name HB1 )) (( segid "SAP " and resid 94 and name HB1 )) OR { 364} (( segid "SAP " and resid 91 and name HB1 )) (( segid "SAP " and resid 94 and name HB2 )) ASSI { 393} ( segid "SAP " and resid 119 and name HG2%) (( segid "SAP " and resid 92 and name HB1 )) 2.500 0.800 0.800 peak 393 spectrum 1 weight 0.10000E+01 volume 0.55320E-02 ppm1 3.922 ppm2 0.894 CV 1 OR { 393} ( segid "SAP " and resid 98 and name HG2%) (( segid "SAP " and resid 93 and name HA )) OR { 393} ( segid "SAP " and resid 119 and name HG2%) (( segid "SAP " and resid 92 and name HB2 )) OR { 393} ( segid "SAP " and resid 93 and name HD1%) (( segid "SAP " and resid 93 and name HA )) ASSI { 396} (( segid "SAP " and resid 96 and name HG2 )) (( segid "SAP " and resid 93 and name HA )) 4.000 2.000 2.000 peak 396 spectrum 1 weight 0.10000E+01 volume 0.31025E-03 ppm1 3.922 ppm2 1.459 CV 1 OR { 396} (( segid "SAP " and resid 100 and name HB )) (( segid "SAP " and resid 93 and name HA )) OR { 396} (( segid "SAP " and resid 118 and name HG )) (( segid "SAP " and resid 121 and name HB1 )) OR { 396} (( segid "SAP " and resid 91 and name HG1 )) (( segid "SAP " and resid 92 and name HB2 )) OR { 396} (( segid "SAP " and resid 91 and name HG1 )) (( segid "SAP " and resid 92 and name HB1 )) ASSI { 397} (( segid "SAP " and resid 93 and name HG11)) (( segid "SAP " and resid 93 and name HA )) 2.800 1.000 1.000 peak 397 spectrum 1 weight 0.10000E+01 volume 0.26094E-02 ppm1 3.919 ppm2 1.658 CV 1 OR { 397} (( segid "SAP " and resid 93 and name HG11)) (( segid "SAP " and resid 92 and name HB1 )) ASSI { 400} ( segid "SAP " and resid 100 and name HD1%) (( segid "SAP " and resid 115 and name HA )) 4.500 2.500 1.500 peak 400 spectrum 1 weight 0.10000E+01 volume 0.18729E-03 ppm1 4.037 ppm2 0.661 CV 1 OR { 400} ( segid "SAP " and resid 111 and name HD1%) (( segid "SAP " and resid 115 and name HA )) ASSI { 401} (( segid "SAP " and resid 121 and name HA )) (( segid "SAP " and resid 121 and name HB1 )) 2.200 0.600 0.600 peak 401 spectrum 1 weight 0.10000E+01 volume 0.11098E-01 ppm1 3.940 ppm2 4.303 CV 1 OR { 401} (( segid "SAP " and resid 92 and name HA )) (( segid "SAP " and resid 92 and name HB1 )) ASSI { 403} ( segid "SAP " and resid 100 and name HD1%) (( segid "SAP " and resid 71 and name HB2 )) 4.300 2.400 1.700 peak 403 spectrum 1 weight 0.10000E+01 volume 0.19095E-03 ppm1 1.600 ppm2 0.675 CV 1 OR { 403} (( segid "SAP " and resid 69 and name HB2 )) (( segid "SAP " and resid 71 and name HB2 )) ASSI { 404} ( segid "SAP " and resid 100 and name HD1%) (( segid "SAP " and resid 71 and name HB1 )) 4.700 2.800 1.300 peak 404 spectrum 1 weight 0.10000E+01 volume 0.16796E-03 ppm1 2.133 ppm2 0.670 CV 1 OR { 404} (( segid "SAP " and resid 69 and name HB2 )) (( segid "SAP " and resid 71 and name HB1 )) ASSI { 424} (( segid "SAP " and resid 116 and name HE1 )) (( segid "SAP " and resid 116 and name HB2 )) 4.100 2.200 1.900 peak 424 spectrum 1 weight 0.10000E+01 volume 0.27793E-03 ppm1 1.885 ppm2 2.908 CV 1 OR { 424} (( segid "SAP " and resid 116 and name HE2 )) (( segid "SAP " and resid 116 and name HB2 )) OR { 424} (( segid "SAP " and resid 91 and name HE1 )) (( segid "SAP " and resid 91 and name HB1 )) ASSI { 431} (( segid "SAP " and resid 116 and name HG1 )) (( segid "SAP " and resid 116 and name HB2 )) 2.200 0.600 0.600 peak 431 spectrum 1 weight 0.10000E+01 volume 0.90311E-02 ppm1 1.878 ppm2 1.413 CV 1 OR { 431} (( segid "SAP " and resid 91 and name HG2 )) (( segid "SAP " and resid 91 and name HB1 )) OR { 431} (( segid "SAP " and resid 104 and name HG2 )) (( segid "SAP " and resid 104 and name HB1 )) ASSI { 432} (( segid "SAP " and resid 91 and name HG1 )) (( segid "SAP " and resid 91 and name HB1 )) 2.100 0.600 0.600 peak 432 spectrum 1 weight 0.10000E+01 volume 0.11730E-01 ppm1 1.875 ppm2 1.503 CV 1 OR { 432} (( segid "SAP " and resid 104 and name HG1 )) (( segid "SAP " and resid 104 and name HB1 )) ASSI { 433} (( segid "SAP " and resid 87 and name HG2 )) (( segid "SAP " and resid 87 and name HB1 )) 2.300 0.700 0.700 peak 433 spectrum 1 weight 0.10000E+01 volume 0.82648E-02 ppm1 1.776 ppm2 1.414 CV 1 OR { 433} (( segid "SAP " and resid 87 and name HG2 )) (( segid "SAP " and resid 87 and name HB2 )) OR { 433} (( segid "SAP " and resid 104 and name HG2 )) (( segid "SAP " and resid 104 and name HB2 )) ASSI { 434} (( segid "SAP " and resid 104 and name HG1 )) (( segid "SAP " and resid 104 and name HB2 )) 1.900 0.500 0.500 peak 434 spectrum 1 weight 0.10000E+01 volume 0.20028E-01 ppm1 1.781 ppm2 1.506 CV 1 OR { 434} (( segid "SAP " and resid 87 and name HG1 )) (( segid "SAP " and resid 87 and name HB2 )) OR { 434} (( segid "SAP " and resid 87 and name HG1 )) (( segid "SAP " and resid 87 and name HB1 )) ASSI { 451} (( segid "SAP " and resid 128 and name HA )) (( segid "SAP " and resid 128 and name HB1 )) 2.600 0.800 0.800 peak 451 spectrum 1 weight 0.10000E+01 volume 0.40989E-02 ppm1 1.758 ppm2 4.289 CV 1 OR { 451} (( segid "SAP " and resid 128 and name HA )) (( segid "SAP " and resid 128 and name HB2 )) OR { 451} (( segid "SAP " and resid 78 and name HA )) (( segid "SAP " and resid 78 and name HB2 )) ASSI { 452} (( segid "SAP " and resid 123 and name HD1 )) (( segid "SAP " and resid 123 and name HB1 )) 2.900 1.100 1.100 peak 452 spectrum 1 weight 0.10000E+01 volume 0.20828E-02 ppm1 1.844 ppm2 3.156 CV 1 OR { 452} (( segid "SAP " and resid 123 and name HD2 )) (( segid "SAP " and resid 123 and name HB1 )) OR { 452} (( segid "SAP " and resid 125 and name HD1 )) (( segid "SAP " and resid 125 and name HB1 )) ASSI { 453} (( segid "SAP " and resid 128 and name HD1 )) (( segid "SAP " and resid 128 and name HB2 )) 2.700 0.900 0.900 peak 453 spectrum 1 weight 0.10000E+01 volume 0.32492E-02 ppm1 1.762 ppm2 3.158 CV 1 OR { 453} (( segid "SAP " and resid 126 and name HD1 )) (( segid "SAP " and resid 126 and name HB2 )) OR { 453} (( segid "SAP " and resid 128 and name HD1 )) (( segid "SAP " and resid 128 and name HB1 )) OR { 453} (( segid "SAP " and resid 126 and name HD2 )) (( segid "SAP " and resid 126 and name HB2 )) OR { 453} (( segid "SAP " and resid 123 and name HD2 )) (( segid "SAP " and resid 123 and name HB2 )) OR { 453} (( segid "SAP " and resid 123 and name HD1 )) (( segid "SAP " and resid 123 and name HB2 )) OR { 453} (( segid "SAP " and resid 128 and name HD2 )) (( segid "SAP " and resid 128 and name HB2 )) OR { 453} (( segid "SAP " and resid 125 and name HD1 )) (( segid "SAP " and resid 125 and name HB2 )) ASSI { 454} (( segid "SAP " and resid 128 and name HA )) (( segid "SAP " and resid 128 and name HB1 )) 2.600 0.800 0.800 peak 454 spectrum 1 weight 0.10000E+01 volume 0.41989E-02 ppm1 1.762 ppm2 4.272 CV 1 OR { 454} (( segid "SAP " and resid 128 and name HA )) (( segid "SAP " and resid 128 and name HB2 )) OR { 454} (( segid "SAP " and resid 125 and name HA )) (( segid "SAP " and resid 125 and name HB2 )) OR { 454} (( segid "SAP " and resid 126 and name HA )) (( segid "SAP " and resid 126 and name HB2 )) ASSI { 458} (( segid "SAP " and resid 125 and name HA )) (( segid "SAP " and resid 125 and name HB1 )) 2.500 0.800 0.800 peak 458 spectrum 1 weight 0.10000E+01 volume 0.42323E-02 ppm1 1.882 ppm2 4.271 CV 1 OR { 458} (( segid "SAP " and resid 72 and name HA )) (( segid "SAP " and resid 99 and name HB1 )) OR { 458} (( segid "SAP " and resid 72 and name HA )) (( segid "SAP " and resid 99 and name HB2 )) ASSI { 468} ( segid "SAP " and resid 119 and name HD1%) (( segid "SAP " and resid 119 and name HG12)) 2.300 0.700 0.700 peak 468 spectrum 1 weight 0.10000E+01 volume 0.73315E-02 ppm1 0.881 ppm2 0.793 CV 1 OR { 468} ( segid "SAP " and resid 118 and name HD1%) (( segid "SAP " and resid 115 and name HD2 )) ASSI { 476} (( segid "SAP " and resid 117 and name HB2 )) (( segid "SAP " and resid 114 and name HA )) 3.600 1.600 1.600 peak 476 spectrum 1 weight 0.10000E+01 volume 0.71982E-03 ppm1 4.108 ppm2 2.638 CV 1 OR { 476} (( segid "SAP " and resid 113 and name HB2 )) (( segid "SAP " and resid 114 and name HA )) OR { 476} (( segid "SAP " and resid 113 and name HB1 )) (( segid "SAP " and resid 114 and name HA )) ASSI { 491} ( segid "SAP " and resid 119 and name HD1%) (( segid "SAP " and resid 116 and name HA )) 3.100 1.200 1.200 peak 491 spectrum 1 weight 0.10000E+01 volume 0.12630E-02 ppm1 3.715 ppm2 0.801 CV 1 OR { 491} ( segid "SAP " and resid 89 and name HD1%) (( segid "SAP " and resid 116 and name HA )) ASSI { 492} ( segid "SAP " and resid 119 and name HG2%) (( segid "SAP " and resid 116 and name HA )) 3.600 1.600 1.600 peak 492 spectrum 1 weight 0.10000E+01 volume 0.99640E-03 ppm1 3.714 ppm2 0.871 CV 1 OR { 492} (( segid "SAP " and resid 111 and name HG12)) (( segid "SAP " and resid 116 and name HA )) OR { 492} (( segid "SAP " and resid 119 and name HG12)) (( segid "SAP " and resid 116 and name HA )) ASSI { 495} (( segid "SAP " and resid 111 and name HG11)) (( segid "SAP " and resid 116 and name HA )) 3.700 1.700 1.700 peak 495 spectrum 1 weight 0.10000E+01 volume 0.70982E-03 ppm1 3.713 ppm2 1.493 CV 1 OR { 495} ( segid "SAP " and resid 83 and name HB% ) (( segid "SAP " and resid 116 and name HA )) ASSI { 501} (( segid "SAP " and resid 68 and name HN )) (( segid "SAP " and resid 67 and name HA )) 3.500 3.500 2.500 peak 501 spectrum 1 weight 0.10000E+01 volume 0.64317E-03 ppm1 4.141 ppm2 0.034 CV 1 OR { 501} (( segid "SAP " and resid 67 and name HN )) (( segid "SAP " and resid 67 and name HA )) ASSI { 511} (( segid "SAP " and resid 124 and name HB2 )) (( segid "SAP " and resid 121 and name HA )) 3.900 1.900 1.900 peak 511 spectrum 1 weight 0.10000E+01 volume 0.30992E-03 ppm1 4.297 ppm2 2.744 CV 1 OR { 511} (( segid "SAP " and resid 117 and name HB1 )) (( segid "SAP " and resid 121 and name HA )) ASSI { 527} ( segid "SAP " and resid 111 and name HD1%) (( segid "SAP " and resid 115 and name HB1 )) 3.300 1.400 1.400 peak 527 spectrum 1 weight 0.10000E+01 volume 0.93976E-03 ppm1 3.741 ppm2 0.657 CV 1 OR { 527} ( segid "SAP " and resid 100 and name HD1%) (( segid "SAP " and resid 115 and name HB1 )) ASSI { 530} ( segid "SAP " and resid 119 and name HD1%) (( segid "SAP " and resid 115 and name HB2 )) 3.200 1.300 1.300 peak 530 spectrum 1 weight 0.10000E+01 volume 0.79646E-03 ppm1 2.691 ppm2 0.784 CV 1 OR { 530} ( segid "SAP " and resid 89 and name HG2%) (( segid "SAP " and resid 115 and name HB2 )) ASSI { 539} (( segid "SAP " and resid 101 and name HG1 )) (( segid "SAP " and resid 100 and name HA )) 4.100 2.100 1.900 peak 539 spectrum 1 weight 0.10000E+01 volume 0.39990E-03 ppm1 5.011 ppm2 2.100 CV 1 OR { 539} (( segid "SAP " and resid 98 and name HB )) (( segid "SAP " and resid 100 and name HA )) OR { 539} (( segid "SAP " and resid 71 and name HB1 )) (( segid "SAP " and resid 100 and name HA )) OR { 539} (( segid "SAP " and resid 71 and name HG1 )) (( segid "SAP " and resid 100 and name HA )) ASSI { 600} (( segid "SAP " and resid 93 and name HA )) (( segid "SAP " and resid 93 and name HG11)) 3.100 1.200 1.200 peak 600 spectrum 1 weight 0.10000E+01 volume 0.15329E-02 ppm1 1.665 ppm2 3.921 CV 1 OR { 600} (( segid "SAP " and resid 92 and name HB1 )) (( segid "SAP " and resid 93 and name HG11)) OR { 600} (( segid "SAP " and resid 104 and name HA )) (( segid "SAP " and resid 104 and name HD1 )) ASSI { 625} (( segid "SAP " and resid 75 and name HB2 )) (( segid "SAP " and resid 75 and name HB1 )) 1.400 0.200 0.800 peak 625 spectrum 1 weight 0.10000E+01 volume 0.10997E+00 ppm1 1.784 ppm2 1.642 CV 1 OR { 625} (( segid "SAP " and resid 116 and name HD2 )) (( segid "SAP " and resid 116 and name HD1 )) ASSI { 634} (( segid "SAP " and resid 75 and name HD2 )) (( segid "SAP " and resid 75 and name HB2 )) 3.700 1.700 1.700 peak 634 spectrum 1 weight 0.10000E+01 volume 0.57652E-03 ppm1 1.629 ppm2 3.182 CV 1 OR { 634} (( segid "SAP " and resid 110 and name HB1 )) (( segid "SAP " and resid 65 and name HB1 )) ASSI { 677} (( segid "SAP " and resid 88 and name HD1 )) (( segid "SAP " and resid 120 and name HA )) 4.400 2.400 1.600 peak 677 spectrum 1 weight 0.10000E+01 volume 0.15563E-03 ppm1 4.118 ppm2 3.137 CV 1 OR { 677} (( segid "SAP " and resid 88 and name HD2 )) (( segid "SAP " and resid 120 and name HA )) OR { 677} (( segid "SAP " and resid 123 and name HD1 )) (( segid "SAP " and resid 120 and name HA )) ASSI { 685} (( segid "SAP " and resid 89 and name HG11)) (( segid "SAP " and resid 85 and name HA )) 4.200 2.200 1.800 peak 685 spectrum 1 weight 0.10000E+01 volume 0.31825E-03 ppm1 4.323 ppm2 1.545 CV 1 OR { 685} (( segid "SAP " and resid 111 and name HG11)) (( segid "SAP " and resid 85 and name HA )) ASSI { 696} ( segid "SAP " and resid 83 and name HB% ) (( segid "SAP " and resid 113 and name HA )) 4.400 2.500 1.600 peak 696 spectrum 1 weight 0.10000E+01 volume 0.15762E-03 ppm1 4.505 ppm2 1.487 CV 1 OR { 696} (( segid "SAP " and resid 111 and name HG11)) (( segid "SAP " and resid 113 and name HA )) ASSI { 726} ( segid "SAP " and resid 89 and name HD1%) (( segid "SAP " and resid 86 and name HA )) 3.200 1.200 1.200 peak 726 spectrum 1 weight 0.10000E+01 volume 0.82983E-03 ppm1 4.432 ppm2 0.834 CV 1 OR { 726} ( segid "SAP " and resid 109 and name HD1%) (( segid "SAP " and resid 86 and name HA )) OR { 726} ( segid "SAP " and resid 109 and name HD2%) (( segid "SAP " and resid 86 and name HA )) ASSI { 727} (( segid "SAP " and resid 87 and name HB1 )) (( segid "SAP " and resid 86 and name HA )) 4.400 2.400 1.600 peak 727 spectrum 1 weight 0.10000E+01 volume 0.23094E-03 ppm1 4.434 ppm2 1.750 CV 1 OR { 727} (( segid "SAP " and resid 87 and name HB2 )) (( segid "SAP " and resid 86 and name HA )) OR { 727} (( segid "SAP " and resid 89 and name HB )) (( segid "SAP " and resid 86 and name HA )) ASSI { 736} (( segid "SAP " and resid 126 and name HG1 )) (( segid "SAP " and resid 126 and name HA )) 2.400 0.700 0.700 peak 736 spectrum 1 weight 0.10000E+01 volume 0.71315E-02 ppm1 4.273 ppm2 1.623 CV 1 OR { 736} (( segid "SAP " and resid 128 and name HG1 )) (( segid "SAP " and resid 128 and name HA )) OR { 736} (( segid "SAP " and resid 128 and name HG2 )) (( segid "SAP " and resid 128 and name HA )) OR { 736} (( segid "SAP " and resid 126 and name HG2 )) (( segid "SAP " and resid 126 and name HA )) ASSI { 737} (( segid "SAP " and resid 125 and name HD2 )) (( segid "SAP " and resid 125 and name HA )) 3.800 1.800 1.800 peak 737 spectrum 1 weight 0.10000E+01 volume 0.52320E-03 ppm1 4.270 ppm2 3.175 CV 1 OR { 737} (( segid "SAP " and resid 125 and name HD1 )) (( segid "SAP " and resid 125 and name HA )) OR { 737} (( segid "SAP " and resid 126 and name HD1 )) (( segid "SAP " and resid 126 and name HA )) OR { 737} (( segid "SAP " and resid 126 and name HD2 )) (( segid "SAP " and resid 126 and name HA )) OR { 737} (( segid "SAP " and resid 128 and name HD1 )) (( segid "SAP " and resid 128 and name HA )) ASSI { 739} (( segid "SAP " and resid 96 and name HG2 )) (( segid "SAP " and resid 96 and name HA )) 2.400 0.700 0.700 peak 739 spectrum 1 weight 0.10000E+01 volume 0.55653E-02 ppm1 4.286 ppm2 1.457 CV 1 OR { 739} (( segid "SAP " and resid 78 and name HG2 )) (( segid "SAP " and resid 78 and name HA )) ASSI { 740} (( segid "SAP " and resid 127 and name HB2 )) (( segid "SAP " and resid 127 and name HA )) 2.000 0.500 0.500 peak 740 spectrum 1 weight 0.10000E+01 volume 0.16362E-01 ppm1 4.269 ppm2 1.785 CV 1 OR { 740} (( segid "SAP " and resid 126 and name HB1 )) (( segid "SAP " and resid 126 and name HA )) OR { 740} (( segid "SAP " and resid 128 and name HB1 )) (( segid "SAP " and resid 128 and name HA )) OR { 740} (( segid "SAP " and resid 128 and name HB2 )) (( segid "SAP " and resid 128 and name HA )) OR { 740} (( segid "SAP " and resid 125 and name HB2 )) (( segid "SAP " and resid 125 and name HA )) OR { 740} (( segid "SAP " and resid 127 and name HB1 )) (( segid "SAP " and resid 127 and name HA )) OR { 740} (( segid "SAP " and resid 78 and name HB2 )) (( segid "SAP " and resid 78 and name HA )) ASSI { 743} (( segid "SAP " and resid 126 and name HG1 )) (( segid "SAP " and resid 126 and name HA )) 2.200 0.600 0.600 peak 743 spectrum 1 weight 0.10000E+01 volume 0.10464E-01 ppm1 4.276 ppm2 1.617 CV 1 OR { 743} (( segid "SAP " and resid 128 and name HG1 )) (( segid "SAP " and resid 128 and name HA )) OR { 743} (( segid "SAP " and resid 128 and name HG2 )) (( segid "SAP " and resid 128 and name HA )) OR { 743} (( segid "SAP " and resid 125 and name HG2 )) (( segid "SAP " and resid 125 and name HA )) OR { 743} (( segid "SAP " and resid 126 and name HG2 )) (( segid "SAP " and resid 126 and name HA )) OR { 743} (( segid "SAP " and resid 125 and name HG1 )) (( segid "SAP " and resid 125 and name HA )) OR { 743} (( segid "SAP " and resid 96 and name HG1 )) (( segid "SAP " and resid 96 and name HA )) OR { 743} (( segid "SAP " and resid 96 and name HD1 )) (( segid "SAP " and resid 96 and name HA )) ASSI { 765} (( segid "SAP " and resid 69 and name HB2 )) ( segid "SAP " and resid 69 and name HD1%) 2.600 0.800 0.800 peak 765 spectrum 1 weight 0.10000E+01 volume 0.37324E-02 ppm1 0.264 ppm2 0.675 CV 1 OR { 765} ( segid "SAP " and resid 111 and name HD1%) ( segid "SAP " and resid 69 and name HD1%) ASSI { 779} (( segid "SAP " and resid 109 and name HG )) ( segid "SAP " and resid 102 and name HD1%) 3.600 1.700 1.700 peak 779 spectrum 1 weight 0.10000E+01 volume 0.37990E-03 ppm1 0.680 ppm2 1.398 CV 1 OR { 779} (( segid "SAP " and resid 104 and name HG2 )) ( segid "SAP " and resid 102 and name HD1%) ASSI { 786} (( segid "SAP " and resid 84 and name HB2 )) ( segid "SAP " and resid 109 and name HD1%) 4.200 2.300 1.800 peak 786 spectrum 1 weight 0.10000E+01 volume 0.20862E-03 ppm1 0.833 ppm2 3.455 CV 1 OR { 786} (( segid "SAP " and resid 119 and name HA )) ( segid "SAP " and resid 118 and name HD1%) OR { 786} (( segid "SAP " and resid 84 and name HB1 )) ( segid "SAP " and resid 109 and name HD1%) ASSI { 792} ( segid "SAP " and resid 111 and name HD1%) (( segid "SAP " and resid 111 and name HG12)) 2.000 0.500 0.500 peak 792 spectrum 1 weight 0.10000E+01 volume 0.18529E-01 ppm1 0.875 ppm2 0.656 CV 1 OR { 792} ( segid "SAP " and resid 66 and name HD2%) ( segid "SAP " and resid 66 and name HD1%) ASSI { 795} (( segid "SAP " and resid 77 and name HA1 )) ( segid "SAP " and resid 66 and name HD1%) 3.500 1.500 1.500 peak 795 spectrum 1 weight 0.10000E+01 volume 0.86982E-03 ppm1 0.875 ppm2 4.349 CV 1 OR { 795} (( segid "SAP " and resid 85 and name HA )) (( segid "SAP " and resid 111 and name HG12)) ASSI { 804} (( segid "SAP " and resid 87 and name HE2 )) (( segid "SAP " and resid 87 and name HG1 )) 3.400 1.400 1.400 peak 804 spectrum 1 weight 0.10000E+01 volume 0.97975E-03 ppm1 1.504 ppm2 2.953 CV 1 OR { 804} (( segid "SAP " and resid 87 and name HE1 )) (( segid "SAP " and resid 87 and name HG1 )) OR { 804} (( segid "SAP " and resid 104 and name HE2 )) (( segid "SAP " and resid 104 and name HG1 )) OR { 804} (( segid "SAP " and resid 104 and name HE1 )) (( segid "SAP " and resid 104 and name HG1 )) ASSI { 805} (( segid "SAP " and resid 104 and name HE2 )) (( segid "SAP " and resid 104 and name HG2 )) 2.900 1.100 1.100 peak 805 spectrum 1 weight 0.10000E+01 volume 0.18462E-02 ppm1 1.409 ppm2 2.954 CV 1 OR { 805} (( segid "SAP " and resid 104 and name HE1 )) (( segid "SAP " and resid 104 and name HG2 )) OR { 805} (( segid "SAP " and resid 87 and name HE2 )) (( segid "SAP " and resid 87 and name HG2 )) OR { 805} (( segid "SAP " and resid 87 and name HE1 )) (( segid "SAP " and resid 87 and name HG2 )) ASSI { 809} (( segid "SAP " and resid 129 and name HB2 )) (( segid "SAP " and resid 129 and name HG2 )) 1.900 0.500 0.500 peak 809 spectrum 1 weight 0.10000E+01 volume 0.22394E-01 ppm1 1.410 ppm2 1.767 CV 1 OR { 809} (( segid "SAP " and resid 127 and name HB1 )) (( segid "SAP " and resid 127 and name HG2 )) OR { 809} (( segid "SAP " and resid 87 and name HB1 )) (( segid "SAP " and resid 87 and name HG2 )) OR { 809} (( segid "SAP " and resid 127 and name HB2 )) (( segid "SAP " and resid 127 and name HG1 )) OR { 809} (( segid "SAP " and resid 129 and name HB1 )) (( segid "SAP " and resid 129 and name HG1 )) OR { 809} (( segid "SAP " and resid 129 and name HB1 )) (( segid "SAP " and resid 129 and name HG2 )) OR { 809} (( segid "SAP " and resid 129 and name HB2 )) (( segid "SAP " and resid 129 and name HG1 )) OR { 809} (( segid "SAP " and resid 127 and name HB1 )) (( segid "SAP " and resid 127 and name HG1 )) ASSI { 811} (( segid "SAP " and resid 91 and name HB1 )) (( segid "SAP " and resid 91 and name HG2 )) 2.000 0.500 0.500 peak 811 spectrum 1 weight 0.10000E+01 volume 0.18362E-01 ppm1 1.410 ppm2 1.877 CV 1 OR { 811} (( segid "SAP " and resid 99 and name HB1 )) (( segid "SAP " and resid 99 and name HG1 )) OR { 811} (( segid "SAP " and resid 99 and name HB2 )) (( segid "SAP " and resid 99 and name HG1 )) ASSI { 815} (( segid "SAP " and resid 127 and name HE2 )) (( segid "SAP " and resid 127 and name HG1 )) 3.300 1.400 1.400 peak 815 spectrum 1 weight 0.10000E+01 volume 0.98644E-03 ppm1 1.432 ppm2 2.933 CV 1 OR { 815} (( segid "SAP " and resid 91 and name HE1 )) (( segid "SAP " and resid 91 and name HG2 )) OR { 815} (( segid "SAP " and resid 129 and name HE2 )) (( segid "SAP " and resid 129 and name HG1 )) OR { 815} (( segid "SAP " and resid 91 and name HE2 )) (( segid "SAP " and resid 91 and name HG2 )) OR { 815} (( segid "SAP " and resid 127 and name HE1 )) (( segid "SAP " and resid 127 and name HG2 )) OR { 815} (( segid "SAP " and resid 127 and name HE1 )) (( segid "SAP " and resid 127 and name HG1 )) OR { 815} (( segid "SAP " and resid 129 and name HE2 )) (( segid "SAP " and resid 129 and name HG2 )) OR { 815} (( segid "SAP " and resid 99 and name HE2 )) (( segid "SAP " and resid 99 and name HG1 )) OR { 815} (( segid "SAP " and resid 127 and name HE2 )) (( segid "SAP " and resid 127 and name HG2 )) OR { 815} (( segid "SAP " and resid 99 and name HE1 )) (( segid "SAP " and resid 99 and name HG1 )) ASSI { 818} ( segid "SAP " and resid 106 and name HB% ) ( segid "SAP " and resid 102 and name HD2%) 3.300 1.300 1.300 peak 818 spectrum 1 weight 0.10000E+01 volume 0.97975E-03 ppm1 0.645 ppm2 1.313 CV 1 OR { 818} (( segid "SAP " and resid 109 and name HB2 )) ( segid "SAP " and resid 102 and name HD2%) ASSI { 824} (( segid "SAP " and resid 68 and name HB1 )) ( segid "SAP " and resid 102 and name HD2%) 3.100 1.200 1.200 peak 824 spectrum 1 weight 0.10000E+01 volume 0.15129E-02 ppm1 0.645 ppm2 2.801 CV 1 OR { 824} (( segid "SAP " and resid 103 and name HB1 )) ( segid "SAP " and resid 102 and name HD2%) ASSI { 828} (( segid "SAP " and resid 69 and name HA )) ( segid "SAP " and resid 102 and name HD2%) 4.200 2.200 1.800 peak 828 spectrum 1 weight 0.10000E+01 volume 0.28992E-03 ppm1 0.649 ppm2 4.586 CV 1 OR { 828} (( segid "SAP " and resid 101 and name HA )) ( segid "SAP " and resid 102 and name HD2%) ASSI { 873} ( segid "SAP " and resid 66 and name HD1%) (( segid "SAP " and resid 66 and name HA )) 3.400 1.500 1.500 peak 873 spectrum 1 weight 0.10000E+01 volume 0.74981E-03 ppm1 4.608 ppm2 0.879 CV 1 OR { 873} (( segid "SAP " and resid 102 and name HB2 )) (( segid "SAP " and resid 101 and name HA )) ASSI { 897} (( segid "SAP " and resid 124 and name HB2 )) (( segid "SAP " and resid 124 and name HA )) 2.400 0.700 0.700 peak 897 spectrum 1 weight 0.10000E+01 volume 0.64984E-02 ppm1 4.646 ppm2 2.735 CV 1 OR { 897} (( segid "SAP " and resid 82 and name HB2 )) (( segid "SAP " and resid 82 and name HA )) ASSI { 898} (( segid "SAP " and resid 82 and name HB1 )) (( segid "SAP " and resid 82 and name HA )) 2.400 0.700 0.700 peak 898 spectrum 1 weight 0.10000E+01 volume 0.66317E-02 ppm1 4.646 ppm2 2.813 CV 1 OR { 898} (( segid "SAP " and resid 124 and name HB1 )) (( segid "SAP " and resid 124 and name HA )) ASSI { 907} ( segid "SAP " and resid 63 and name HB% ) (( segid "SAP " and resid 63 and name HA )) 2.100 0.600 0.600 peak 907 spectrum 1 weight 0.10000E+01 volume 0.11897E-01 ppm1 4.171 ppm2 1.332 CV 1 OR { 907} ( segid "SAP " and resid 79 and name HB% ) (( segid "SAP " and resid 79 and name HA )) ASSI { 911} (( segid "SAP " and resid 67 and name HA )) (( segid "SAP " and resid 80 and name HA )) 3.600 1.600 1.600 peak 911 spectrum 1 weight 0.10000E+01 volume 0.65650E-03 ppm1 3.548 ppm2 4.158 CV 1 OR { 911} (( segid "SAP " and resid 79 and name HA )) (( segid "SAP " and resid 80 and name HA )) ASSI { 920} (( segid "SAP " and resid 77 and name HA1 )) ( segid "SAP " and resid 66 and name HD2%) 3.600 1.600 1.600 peak 920 spectrum 1 weight 0.10000E+01 volume 0.72315E-03 ppm1 0.663 ppm2 4.321 CV 1 OR { 920} (( segid "SAP " and resid 65 and name HA )) ( segid "SAP " and resid 66 and name HD2%) ASSI { 924} (( segid "SAP " and resid 69 and name HB2 )) ( segid "SAP " and resid 69 and name HD2%) 2.800 1.000 1.000 peak 924 spectrum 1 weight 0.10000E+01 volume 0.31792E-02 ppm1 -0.115 ppm2 0.670 CV 1 OR { 924} ( segid "SAP " and resid 102 and name HD1%) ( segid "SAP " and resid 69 and name HD2%) OR { 924} ( segid "SAP " and resid 102 and name HD2%) ( segid "SAP " and resid 69 and name HD2%) ASSI { 925} ( segid "SAP " and resid 111 and name HG2%) ( segid "SAP " and resid 69 and name HD2%) 2.900 1.000 1.000 peak 925 spectrum 1 weight 0.10000E+01 volume 0.22894E-02 ppm1 -0.115 ppm2 0.922 CV 1 OR { 925} (( segid "SAP " and resid 102 and name HB2 )) ( segid "SAP " and resid 69 and name HD2%) ASSI { 928} (( segid "SAP " and resid 102 and name HB1 )) ( segid "SAP " and resid 69 and name HD2%) 4.900 3.000 1.100 peak 928 spectrum 1 weight 0.10000E+01 volume 0.15363E-03 ppm1 -0.114 ppm2 1.475 CV 1 OR { 928} (( segid "SAP " and resid 100 and name HB )) ( segid "SAP " and resid 69 and name HD2%) ASSI { 937} (( segid "SAP " and resid 93 and name HG11)) ( segid "SAP " and resid 98 and name HG2%) 3.400 1.400 1.400 peak 937 spectrum 1 weight 0.10000E+01 volume 0.11297E-02 ppm1 0.911 ppm2 1.629 CV 1 OR { 937} (( segid "SAP " and resid 96 and name HG1 )) ( segid "SAP " and resid 98 and name HG2%) OR { 937} (( segid "SAP " and resid 96 and name HD2 )) ( segid "SAP " and resid 98 and name HG2%) ASSI { 939} (( segid "SAP " and resid 96 and name HB1 )) ( segid "SAP " and resid 98 and name HG2%) 3.300 1.400 1.400 peak 939 spectrum 1 weight 0.10000E+01 volume 0.12697E-02 ppm1 0.910 ppm2 1.943 CV 1 OR { 939} (( segid "SAP " and resid 97 and name HB1 )) ( segid "SAP " and resid 98 and name HG2%) ASSI { 942} (( segid "SAP " and resid 100 and name HG11)) ( segid "SAP " and resid 98 and name HG1%) 2.800 1.000 1.000 peak 942 spectrum 1 weight 0.10000E+01 volume 0.23161E-02 ppm1 0.914 ppm2 1.460 CV 1 OR { 942} (( segid "SAP " and resid 100 and name HB )) ( segid "SAP " and resid 98 and name HG1%) OR { 942} (( segid "SAP " and resid 96 and name HG2 )) ( segid "SAP " and resid 98 and name HG1%) OR { 942} (( segid "SAP " and resid 96 and name HG2 )) ( segid "SAP " and resid 122 and name HG1%) ASSI { 943} (( segid "SAP " and resid 96 and name HG1 )) ( segid "SAP " and resid 98 and name HG1%) 3.000 1.100 1.100 peak 943 spectrum 1 weight 0.10000E+01 volume 0.16496E-02 ppm1 0.917 ppm2 1.630 CV 1 OR { 943} (( segid "SAP " and resid 96 and name HD2 )) ( segid "SAP " and resid 122 and name HG1%) OR { 943} (( segid "SAP " and resid 96 and name HD2 )) ( segid "SAP " and resid 98 and name HG1%) OR { 943} (( segid "SAP " and resid 96 and name HG1 )) ( segid "SAP " and resid 122 and name HG1%) OR { 943} (( segid "SAP " and resid 96 and name HD1 )) ( segid "SAP " and resid 122 and name HG1%) ASSI { 948} (( segid "SAP " and resid 93 and name HA )) ( segid "SAP " and resid 98 and name HG1%) 3.500 1.500 1.500 peak 948 spectrum 1 weight 0.10000E+01 volume 0.79313E-03 ppm1 0.918 ppm2 3.925 CV 1 OR { 948} (( segid "SAP " and resid 121 and name HB1 )) ( segid "SAP " and resid 122 and name HG1%) ASSI { 952} (( segid "SAP " and resid 121 and name HB1 )) ( segid "SAP " and resid 122 and name HG2%) 3.800 1.800 1.800 peak 952 spectrum 1 weight 0.10000E+01 volume 0.43989E-03 ppm1 0.960 ppm2 3.927 CV 1 OR { 952} (( segid "SAP " and resid 118 and name HA )) ( segid "SAP " and resid 122 and name HG2%) OR { 952} (( segid "SAP " and resid 121 and name HB1 )) ( segid "SAP " and resid 122 and name HG1%) ASSI { 954} (( segid "SAP " and resid 118 and name HG )) ( segid "SAP " and resid 122 and name HG2%) 3.800 1.800 1.800 peak 954 spectrum 1 weight 0.10000E+01 volume 0.43656E-03 ppm1 0.965 ppm2 1.445 CV 1 OR { 954} (( segid "SAP " and resid 96 and name HG2 )) ( segid "SAP " and resid 122 and name HG2%) ASSI { 955} (( segid "SAP " and resid 96 and name HG1 )) ( segid "SAP " and resid 122 and name HG2%) 3.800 1.900 1.900 peak 955 spectrum 1 weight 0.10000E+01 volume 0.33325E-03 ppm1 0.964 ppm2 1.600 CV 1 OR { 955} (( segid "SAP " and resid 123 and name HG2 )) ( segid "SAP " and resid 122 and name HG2%) OR { 955} (( segid "SAP " and resid 118 and name HB1 )) ( segid "SAP " and resid 122 and name HG2%) ASSI { 956} (( segid "SAP " and resid 123 and name HG1 )) ( segid "SAP " and resid 122 and name HG1%) 3.800 1.800 1.800 peak 956 spectrum 1 weight 0.10000E+01 volume 0.37657E-03 ppm1 0.961 ppm2 1.671 CV 1 OR { 956} (( segid "SAP " and resid 96 and name HD2 )) ( segid "SAP " and resid 122 and name HG1%) OR { 956} (( segid "SAP " and resid 96 and name HD2 )) ( segid "SAP " and resid 122 and name HG2%) OR { 956} (( segid "SAP " and resid 96 and name HD1 )) ( segid "SAP " and resid 122 and name HG1%) OR { 956} (( segid "SAP " and resid 96 and name HD1 )) ( segid "SAP " and resid 122 and name HG2%) ASSI { 957} (( segid "SAP " and resid 123 and name HB2 )) ( segid "SAP " and resid 122 and name HG1%) 4.700 2.700 1.300 peak 957 spectrum 1 weight 0.10000E+01 volume 0.10031E-03 ppm1 0.961 ppm2 1.774 CV 1 OR { 957} (( segid "SAP " and resid 119 and name HG11)) ( segid "SAP " and resid 122 and name HG2%) OR { 957} (( segid "SAP " and resid 123 and name HB2 )) ( segid "SAP " and resid 122 and name HG2%) ASSI { 958} (( segid "SAP " and resid 119 and name HB )) ( segid "SAP " and resid 122 and name HG2%) 4.500 2.500 1.500 peak 958 spectrum 1 weight 0.10000E+01 volume 0.16663E-03 ppm1 0.963 ppm2 1.845 CV 1 OR { 958} (( segid "SAP " and resid 96 and name HB2 )) ( segid "SAP " and resid 122 and name HG2%) ASSI { 962} (( segid "SAP " and resid 100 and name HG12)) ( segid "SAP " and resid 100 and name HG2%) 2.300 0.700 0.700 peak 962 spectrum 1 weight 0.10000E+01 volume 0.72315E-02 ppm1 0.584 ppm2 0.878 CV 1 OR { 962} ( segid "SAP " and resid 93 and name HD1%) ( segid "SAP " and resid 100 and name HG2%) ASSI { 964} (( segid "SAP " and resid 69 and name HG )) ( segid "SAP " and resid 100 and name HG2%) 3.900 1.900 1.900 peak 964 spectrum 1 weight 0.10000E+01 volume 0.62985E-03 ppm1 0.583 ppm2 1.661 CV 1 OR { 964} (( segid "SAP " and resid 93 and name HG11)) ( segid "SAP " and resid 100 and name HG2%) ASSI { 966} (( segid "SAP " and resid 101 and name HA )) ( segid "SAP " and resid 100 and name HG2%) 4.000 2.000 2.000 peak 966 spectrum 1 weight 0.10000E+01 volume 0.30792E-03 ppm1 0.582 ppm2 4.608 CV 1 OR { 966} (( segid "SAP " and resid 69 and name HA )) ( segid "SAP " and resid 100 and name HG2%) ASSI { 971} (( segid "SAP " and resid 80 and name HN )) ( segid "SAP " and resid 80 and name HB% ) 3.600 3.600 2.400 peak 971 spectrum 1 weight 0.10000E+01 volume 0.56652E-03 ppm1 1.095 ppm2 0.035 CV 1 OR { 971} (( segid "SAP " and resid 81 and name HN )) ( segid "SAP " and resid 80 and name HB% ) OR { 971} (( segid "SAP " and resid 67 and name HN )) ( segid "SAP " and resid 80 and name HB% ) OR { 971} (( segid "SAP " and resid 108 and name HE1 )) ( segid "SAP " and resid 80 and name HB% ) ASSI { 976} (( segid "SAP " and resid 67 and name HA )) ( segid "SAP " and resid 80 and name HB% ) 3.100 1.200 1.200 peak 976 spectrum 1 weight 0.10000E+01 volume 0.15629E-02 ppm1 1.093 ppm2 4.145 CV 1 OR { 976} (( segid "SAP " and resid 79 and name HA )) ( segid "SAP " and resid 80 and name HB% ) ASSI { 978} (( segid "SAP " and resid 112 and name HA )) ( segid "SAP " and resid 80 and name HB% ) 4.300 2.300 1.700 peak 978 spectrum 1 weight 0.10000E+01 volume 0.34658E-03 ppm1 1.094 ppm2 5.012 CV 1 OR { 978} (( segid "SAP " and resid 110 and name HA )) ( segid "SAP " and resid 80 and name HB% ) ASSI { 990} (( segid "SAP " and resid 110 and name HA )) ( segid "SAP " and resid 111 and name HG2%) 4.400 2.500 1.600 peak 990 spectrum 1 weight 0.10000E+01 volume 0.18529E-03 ppm1 0.930 ppm2 5.032 CV 1 OR { 990} (( segid "SAP " and resid 109 and name HA )) ( segid "SAP " and resid 111 and name HG2%) ASSI { 994} (( segid "SAP " and resid 68 and name HB1 )) ( segid "SAP " and resid 106 and name HB% ) 2.800 1.000 1.000 peak 994 spectrum 1 weight 0.10000E+01 volume 0.23061E-02 ppm1 1.312 ppm2 2.806 CV 1 OR { 994} (( segid "SAP " and resid 103 and name HB1 )) ( segid "SAP " and resid 106 and name HB% ) ASSI { 995} (( segid "SAP " and resid 68 and name HA )) ( segid "SAP " and resid 106 and name HB% ) 2.900 1.000 1.000 peak 995 spectrum 1 weight 0.10000E+01 volume 0.27293E-02 ppm1 1.316 ppm2 4.277 CV 1 OR { 995} (( segid "SAP " and resid 78 and name HA )) ( segid "SAP " and resid 79 and name HB% ) OR { 995} (( segid "SAP " and resid 107 and name HA )) ( segid "SAP " and resid 106 and name HB% ) ASSI { 1000} (( segid "SAP " and resid 116 and name HB1 )) ( segid "SAP " and resid 83 and name HB% ) 3.600 1.700 1.700 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.92311E-03 ppm1 1.483 ppm2 2.068 CV 1 OR { 1000} (( segid "SAP " and resid 111 and name HB )) ( segid "SAP " and resid 83 and name HB% ) ASSI { 1005} (( segid "SAP " and resid 63 and name HA )) ( segid "SAP " and resid 63 and name HB% ) 2.200 0.600 0.600 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.10264E-01 ppm1 1.331 ppm2 4.169 CV 1 OR { 1005} (( segid "SAP " and resid 106 and name HA )) ( segid "SAP " and resid 106 and name HB% ) OR { 1005} (( segid "SAP " and resid 79 and name HA )) ( segid "SAP " and resid 79 and name HB% ) ASSI { 1009} (( segid "SAP " and resid 92 and name HB1 )) ( segid "SAP " and resid 89 and name HG2%) 4.100 2.100 1.900 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.29459E-03 ppm1 0.810 ppm2 3.926 CV 1 OR { 1009} (( segid "SAP " and resid 93 and name HA )) ( segid "SAP " and resid 89 and name HG2%) ASSI { 1016} (( segid "SAP " and resid 93 and name HB )) ( segid "SAP " and resid 89 and name HG2%) 4.000 2.000 2.000 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.43989E-03 ppm1 0.810 ppm2 2.038 CV 1 OR { 1016} (( segid "SAP " and resid 90 and name HB1 )) ( segid "SAP " and resid 89 and name HG2%) ASSI { 1032} (( segid "SAP " and resid 129 and name HD1 )) (( segid "SAP " and resid 129 and name HG1 )) 1.500 0.300 0.700 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.91642E-01 ppm1 1.410 ppm2 1.655 CV 1 OR { 1032} (( segid "SAP " and resid 97 and name HD2 )) (( segid "SAP " and resid 97 and name HG2 )) OR { 1032} (( segid "SAP " and resid 87 and name HD1 )) (( segid "SAP " and resid 87 and name HG2 )) OR { 1032} (( segid "SAP " and resid 129 and name HD2 )) (( segid "SAP " and resid 129 and name HG2 )) OR { 1032} (( segid "SAP " and resid 97 and name HD1 )) (( segid "SAP " and resid 97 and name HG1 )) OR { 1032} (( segid "SAP " and resid 97 and name HD1 )) (( segid "SAP " and resid 97 and name HG2 )) OR { 1032} (( segid "SAP " and resid 97 and name HD2 )) (( segid "SAP " and resid 97 and name HG1 )) OR { 1032} (( segid "SAP " and resid 87 and name HD2 )) (( segid "SAP " and resid 87 and name HG2 )) OR { 1032} (( segid "SAP " and resid 129 and name HD1 )) (( segid "SAP " and resid 129 and name HG2 )) OR { 1032} (( segid "SAP " and resid 129 and name HD2 )) (( segid "SAP " and resid 129 and name HG1 )) OR { 1032} (( segid "SAP " and resid 99 and name HD2 )) (( segid "SAP " and resid 99 and name HG1 )) OR { 1032} (( segid "SAP " and resid 127 and name HD2 )) (( segid "SAP " and resid 127 and name HG1 )) OR { 1032} (( segid "SAP " and resid 127 and name HD1 )) (( segid "SAP " and resid 127 and name HG2 )) OR { 1032} (( segid "SAP " and resid 91 and name HD1 )) (( segid "SAP " and resid 91 and name HG2 )) ASSI { 1033} (( segid "SAP " and resid 104 and name HD1 )) (( segid "SAP " and resid 104 and name HG1 )) 1.700 0.400 0.500 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.47655E-01 ppm1 1.497 ppm2 1.645 CV 1 OR { 1033} (( segid "SAP " and resid 87 and name HD2 )) (( segid "SAP " and resid 87 and name HG1 )) OR { 1033} (( segid "SAP " and resid 87 and name HD1 )) (( segid "SAP " and resid 87 and name HG1 )) OR { 1033} (( segid "SAP " and resid 104 and name HD2 )) (( segid "SAP " and resid 104 and name HG1 )) OR { 1033} (( segid "SAP " and resid 91 and name HD2 )) (( segid "SAP " and resid 91 and name HG1 )) ASSI { 1034} (( segid "SAP " and resid 114 and name HB1 )) (( segid "SAP " and resid 112 and name HB2 )) 3.700 1.700 1.700 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.51654E-03 ppm1 2.780 ppm2 3.543 CV 1 OR { 1034} (( segid "SAP " and resid 80 and name HA )) (( segid "SAP " and resid 112 and name HB2 )) ASSI { 1035} (( segid "SAP " and resid 80 and name HA )) (( segid "SAP " and resid 112 and name HB1 )) 3.500 1.500 1.500 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.74648E-03 ppm1 3.370 ppm2 3.538 CV 1 OR { 1035} (( segid "SAP " and resid 114 and name HB1 )) (( segid "SAP " and resid 112 and name HB1 )) ASSI { 1045} (( segid "SAP " and resid 128 and name HD2 )) (( segid "SAP " and resid 128 and name HG2 )) 2.300 0.700 0.700 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.64984E-02 ppm1 1.566 ppm2 3.135 CV 1 OR { 1045} (( segid "SAP " and resid 123 and name HD2 )) (( segid "SAP " and resid 123 and name HG2 )) OR { 1045} (( segid "SAP " and resid 128 and name HD2 )) (( segid "SAP " and resid 128 and name HG1 )) OR { 1045} (( segid "SAP " and resid 88 and name HD2 )) (( segid "SAP " and resid 88 and name HG2 )) OR { 1045} (( segid "SAP " and resid 123 and name HD1 )) (( segid "SAP " and resid 123 and name HG2 )) OR { 1045} (( segid "SAP " and resid 88 and name HD1 )) (( segid "SAP " and resid 88 and name HG2 )) OR { 1045} (( segid "SAP " and resid 128 and name HD1 )) (( segid "SAP " and resid 128 and name HG1 )) ASSI { 1049} (( segid "SAP " and resid 70 and name HG1 )) (( segid "SAP " and resid 103 and name HA )) 4.400 2.400 1.600 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.14996E-03 ppm1 4.530 ppm2 1.313 CV 1 OR { 1049} ( segid "SAP " and resid 106 and name HB% ) (( segid "SAP " and resid 103 and name HA )) ASSI { 1052} (( segid "SAP " and resid 68 and name HG )) (( segid "SAP " and resid 68 and name HB1 )) 4.400 2.400 1.600 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.16263E-03 ppm1 2.806 ppm2 0.025 CV 1 OR { 1052} (( segid "SAP " and resid 68 and name HN )) (( segid "SAP " and resid 68 and name HB1 )) OR { 1052} (( segid "SAP " and resid 103 and name HN )) (( segid "SAP " and resid 68 and name HB1 )) OR { 1052} (( segid "SAP " and resid 69 and name HN )) (( segid "SAP " and resid 68 and name HB1 )) OR { 1052} (( segid "SAP " and resid 108 and name HE1 )) (( segid "SAP " and resid 68 and name HB1 )) ASSI { 1054} (( segid "SAP " and resid 66 and name HA )) ( segid "SAP " and resid 79 and name HB% ) 4.800 2.800 1.200 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.17029E-03 ppm1 1.330 ppm2 4.604 CV 1 OR { 1054} (( segid "SAP " and resid 62 and name HA )) ( segid "SAP " and resid 63 and name HB% ) ASSI { 1055} ( segid "SAP " and resid 119 and name HG2%) (( segid "SAP " and resid 92 and name HB2 )) 2.900 1.000 1.000 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.30093E-02 ppm1 3.884 ppm2 0.870 CV 1 OR { 1055} ( segid "SAP " and resid 93 and name HD1%) (( segid "SAP " and resid 93 and name HA )) ASSI { 1057} (( segid "SAP " and resid 86 and name HB1 )) (( segid "SAP " and resid 88 and name HD2 )) 3.800 1.800 1.800 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.38657E-03 ppm1 3.175 ppm2 4.142 CV 1 OR { 1057} (( segid "SAP " and resid 86 and name HB1 )) (( segid "SAP " and resid 88 and name HD1 )) OR { 1057} (( segid "SAP " and resid 120 and name HA )) (( segid "SAP " and resid 88 and name HD1 )) ASSI { 21} (( segid "SAP " and resid 70 and name HG1 )) (( segid "SAP " and resid 103 and name HN )) 3.800 1.800 1.800 peak 21 spectrum 1 weight 0.10000E+01 volume 0.37841E-03 ppm1 8.773 ppm2 1.292 CV 1 OR { 21} ( segid "SAP " and resid 106 and name HB% ) (( segid "SAP " and resid 103 and name HN )) ASSI { 29} (( segid "SAP " and resid 65 and name HB1 )) (( segid "SAP " and resid 66 and name HN )) 2.400 0.700 0.700 peak 29 spectrum 1 weight 0.10000E+01 volume 0.82338E-02 ppm1 8.743 ppm2 1.639 CV 1 OR { 29} (( segid "SAP " and resid 66 and name HB1 )) (( segid "SAP " and resid 66 and name HN )) OR { 29} (( segid "SAP " and resid 65 and name HB2 )) (( segid "SAP " and resid 66 and name HN )) ASSI { 56} (( segid "SAP " and resid 110 and name HA )) (( segid "SAP " and resid 85 and name HN )) 4.300 2.300 1.700 peak 56 spectrum 1 weight 0.10000E+01 volume 0.30869E-03 ppm1 9.583 ppm2 5.001 CV 1 OR { 56} (( segid "SAP " and resid 109 and name HA )) (( segid "SAP " and resid 85 and name HN )) ASSI { 67} (( segid "SAP " and resid 105 and name HB1 )) (( segid "SAP " and resid 106 and name HN )) 3.700 1.700 1.700 peak 67 spectrum 1 weight 0.10000E+01 volume 0.61316E-03 ppm1 7.436 ppm2 3.906 CV 1 OR { 67} (( segid "SAP " and resid 104 and name HA )) (( segid "SAP " and resid 106 and name HN )) ASSI { 91} (( segid "SAP " and resid 128 and name HG1 )) (( segid "SAP " and resid 129 and name HN )) 3.400 1.400 1.400 peak 91 spectrum 1 weight 0.10000E+01 volume 0.98105E-03 ppm1 8.464 ppm2 1.618 CV 1 OR { 91} (( segid "SAP " and resid 128 and name HG2 )) (( segid "SAP " and resid 129 and name HN )) OR { 91} (( segid "SAP " and resid 65 and name HB2 )) (( segid "SAP " and resid 80 and name HN )) ASSI { 95} (( segid "SAP " and resid 129 and name HB1 )) (( segid "SAP " and resid 129 and name HN )) 3.400 1.400 1.400 peak 95 spectrum 1 weight 0.10000E+01 volume 0.88296E-03 ppm1 8.448 ppm2 1.758 CV 1 OR { 95} (( segid "SAP " and resid 129 and name HB2 )) (( segid "SAP " and resid 129 and name HN )) OR { 95} (( segid "SAP " and resid 128 and name HB1 )) (( segid "SAP " and resid 129 and name HN )) ASSI { 96} (( segid "SAP " and resid 128 and name HA )) (( segid "SAP " and resid 129 and name HN )) 2.600 0.800 0.800 peak 96 spectrum 1 weight 0.10000E+01 volume 0.45199E-02 ppm1 8.452 ppm2 4.257 CV 1 OR { 96} (( segid "SAP " and resid 129 and name HA )) (( segid "SAP " and resid 129 and name HN )) ASSI { 101} (( segid "SAP " and resid 76 and name HB1 )) (( segid "SAP " and resid 78 and name HN )) 3.700 1.700 1.700 peak 101 spectrum 1 weight 0.10000E+01 volume 0.54659E-03 ppm1 8.959 ppm2 3.034 CV 1 OR { 101} (( segid "SAP " and resid 78 and name HD2 )) (( segid "SAP " and resid 78 and name HN )) ASSI { 104} (( segid "SAP " and resid 76 and name HA )) (( segid "SAP " and resid 78 and name HN )) 3.700 1.700 1.700 peak 104 spectrum 1 weight 0.10000E+01 volume 0.66922E-03 ppm1 8.959 ppm2 4.164 CV 1 OR { 104} (( segid "SAP " and resid 79 and name HA )) (( segid "SAP " and resid 78 and name HN )) ASSI { 116} (( segid "SAP " and resid 78 and name HB2 )) (( segid "SAP " and resid 79 and name HN )) 2.600 0.800 0.800 peak 116 spectrum 1 weight 0.10000E+01 volume 0.52557E-02 ppm1 8.332 ppm2 1.736 CV 1 OR { 116} (( segid "SAP " and resid 128 and name HB2 )) (( segid "SAP " and resid 128 and name HN )) OR { 116} (( segid "SAP " and resid 128 and name HB1 )) (( segid "SAP " and resid 128 and name HN )) OR { 116} (( segid "SAP " and resid 78 and name HG1 )) (( segid "SAP " and resid 79 and name HN )) OR { 116} (( segid "SAP " and resid 127 and name HB1 )) (( segid "SAP " and resid 128 and name HN )) ASSI { 119} (( segid "SAP " and resid 127 and name HA )) (( segid "SAP " and resid 128 and name HN )) 2.200 0.600 0.600 peak 119 spectrum 1 weight 0.10000E+01 volume 0.12403E-01 ppm1 8.332 ppm2 4.271 CV 1 OR { 119} (( segid "SAP " and resid 128 and name HA )) (( segid "SAP " and resid 128 and name HN )) OR { 119} (( segid "SAP " and resid 78 and name HA )) (( segid "SAP " and resid 79 and name HN )) ASSI { 122} (( segid "SAP " and resid 126 and name HA )) (( segid "SAP " and resid 127 and name HN )) 2.600 0.800 0.800 peak 122 spectrum 1 weight 0.10000E+01 volume 0.45549E-02 ppm1 8.265 ppm2 4.257 CV 1 OR { 122} (( segid "SAP " and resid 127 and name HA )) (( segid "SAP " and resid 127 and name HN )) ASSI { 144} ( segid "SAP " and resid 69 and name HD2%) (( segid "SAP " and resid 102 and name HN )) 3.800 1.800 1.800 peak 144 spectrum 1 weight 0.10000E+01 volume 0.47301E-03 ppm1 8.489 ppm2 -0.136 CV 1 OR { 144} ( segid "SAP " and resid 69 and name HD2%) (( segid "SAP " and resid 101 and name HN )) ASSI { 145} ( segid "SAP " and resid 102 and name HD2%) (( segid "SAP " and resid 102 and name HN )) 3.000 1.100 1.100 peak 145 spectrum 1 weight 0.10000E+01 volume 0.26103E-02 ppm1 8.491 ppm2 0.667 CV 1 OR { 145} ( segid "SAP " and resid 102 and name HD1%) (( segid "SAP " and resid 102 and name HN )) OR { 145} ( segid "SAP " and resid 66 and name HD2%) (( segid "SAP " and resid 67 and name HN )) ASSI { 147} (( segid "SAP " and resid 102 and name HB2 )) (( segid "SAP " and resid 102 and name HN )) 2.500 0.800 0.800 peak 147 spectrum 1 weight 0.10000E+01 volume 0.52907E-02 ppm1 8.487 ppm2 0.880 CV 1 OR { 147} ( segid "SAP " and resid 66 and name HD1%) (( segid "SAP " and resid 67 and name HN )) ASSI { 148} (( segid "SAP " and resid 102 and name HG )) (( segid "SAP " and resid 102 and name HN )) 3.400 1.500 1.500 peak 148 spectrum 1 weight 0.10000E+01 volume 0.11808E-02 ppm1 8.484 ppm2 1.042 CV 1 OR { 148} ( segid "SAP " and resid 93 and name HG2%) (( segid "SAP " and resid 101 and name HN )) ASSI { 149} (( segid "SAP " and resid 102 and name HB1 )) (( segid "SAP " and resid 102 and name HN )) 2.300 0.700 0.700 peak 149 spectrum 1 weight 0.10000E+01 volume 0.91446E-02 ppm1 8.486 ppm2 1.489 CV 1 OR { 149} (( segid "SAP " and resid 66 and name HB2 )) (( segid "SAP " and resid 67 and name HN )) ASSI { 150} (( segid "SAP " and resid 101 and name HB2 )) (( segid "SAP " and resid 101 and name HN )) 2.600 0.800 0.800 peak 150 spectrum 1 weight 0.10000E+01 volume 0.45900E-02 ppm1 8.489 ppm2 1.759 CV 1 OR { 150} (( segid "SAP " and resid 101 and name HB2 )) (( segid "SAP " and resid 102 and name HN )) ASSI { 151} (( segid "SAP " and resid 101 and name HB1 )) (( segid "SAP " and resid 102 and name HN )) 2.700 0.900 0.900 peak 151 spectrum 1 weight 0.10000E+01 volume 0.31989E-02 ppm1 8.489 ppm2 1.897 CV 1 OR { 151} (( segid "SAP " and resid 101 and name HG2 )) (( segid "SAP " and resid 101 and name HN )) OR { 151} (( segid "SAP " and resid 101 and name HB1 )) (( segid "SAP " and resid 101 and name HN )) ASSI { 152} (( segid "SAP " and resid 101 and name HG1 )) (( segid "SAP " and resid 101 and name HN )) 3.200 1.300 1.300 peak 152 spectrum 1 weight 0.10000E+01 volume 0.14611E-02 ppm1 8.495 ppm2 2.067 CV 1 OR { 152} (( segid "SAP " and resid 101 and name HG1 )) (( segid "SAP " and resid 102 and name HN )) ASSI { 154} (( segid "SAP " and resid 101 and name HA )) (( segid "SAP " and resid 102 and name HN )) 2.100 0.600 0.600 peak 154 spectrum 1 weight 0.10000E+01 volume 0.12509E-01 ppm1 8.484 ppm2 4.599 CV 1 OR { 154} (( segid "SAP " and resid 66 and name HA )) (( segid "SAP " and resid 67 and name HN )) ASSI { 158} (( segid "SAP " and resid 111 and name HG12)) (( segid "SAP " and resid 116 and name HN )) 4.000 2.100 2.000 peak 158 spectrum 1 weight 0.10000E+01 volume 0.46600E-03 ppm1 8.830 ppm2 0.860 CV 1 OR { 158} ( segid "SAP " and resid 118 and name HD1%) (( segid "SAP " and resid 116 and name HN )) OR { 158} ( segid "SAP " and resid 89 and name HD1%) (( segid "SAP " and resid 116 and name HN )) ASSI { 160} (( segid "SAP " and resid 111 and name HG11)) (( segid "SAP " and resid 116 and name HN )) 3.300 1.300 1.300 peak 160 spectrum 1 weight 0.10000E+01 volume 0.13314E-02 ppm1 8.831 ppm2 1.490 CV 1 OR { 160} ( segid "SAP " and resid 83 and name HB% ) (( segid "SAP " and resid 116 and name HN )) ASSI { 172} ( segid "SAP " and resid 80 and name HB% ) (( segid "SAP " and resid 67 and name HN )) 3.400 1.500 1.500 peak 172 spectrum 1 weight 0.10000E+01 volume 0.98456E-03 ppm1 8.469 ppm2 1.072 CV 1 OR { 172} (( segid "SAP " and resid 102 and name HG )) (( segid "SAP " and resid 102 and name HN )) ASSI { 188} (( segid "SAP " and resid 126 and name HG1 )) (( segid "SAP " and resid 126 and name HN )) 3.300 1.400 1.400 peak 188 spectrum 1 weight 0.10000E+01 volume 0.11737E-02 ppm1 8.259 ppm2 1.607 CV 1 OR { 188} (( segid "SAP " and resid 126 and name HG2 )) (( segid "SAP " and resid 126 and name HN )) OR { 188} (( segid "SAP " and resid 125 and name HG1 )) (( segid "SAP " and resid 126 and name HN )) ASSI { 189} (( segid "SAP " and resid 126 and name HB2 )) (( segid "SAP " and resid 126 and name HN )) 2.700 0.900 0.900 peak 189 spectrum 1 weight 0.10000E+01 volume 0.34372E-02 ppm1 8.261 ppm2 1.739 CV 1 OR { 189} (( segid "SAP " and resid 125 and name HB2 )) (( segid "SAP " and resid 126 and name HN )) ASSI { 190} (( segid "SAP " and resid 125 and name HA )) (( segid "SAP " and resid 126 and name HN )) 2.600 0.900 0.900 peak 190 spectrum 1 weight 0.10000E+01 volume 0.38892E-02 ppm1 8.259 ppm2 4.251 CV 1 OR { 190} (( segid "SAP " and resid 126 and name HA )) (( segid "SAP " and resid 126 and name HN )) ASSI { 216} (( segid "SAP " and resid 116 and name HE2 )) (( segid "SAP " and resid 113 and name HN )) 4.100 2.100 1.900 peak 216 spectrum 1 weight 0.10000E+01 volume 0.32620E-03 ppm1 9.001 ppm2 2.919 CV 1 OR { 216} (( segid "SAP " and resid 67 and name HB2 )) (( segid "SAP " and resid 113 and name HN )) ASSI { 226} (( segid "SAP " and resid 89 and name HB )) (( segid "SAP " and resid 89 and name HN )) 2.300 0.600 0.600 peak 226 spectrum 1 weight 0.10000E+01 volume 0.86190E-02 ppm1 7.347 ppm2 1.718 CV 1 OR { 226} (( segid "SAP " and resid 88 and name HB2 )) (( segid "SAP " and resid 89 and name HN )) ASSI { 228} (( segid "SAP " and resid 86 and name HB2 )) (( segid "SAP " and resid 89 and name HN )) 3.900 1.900 1.900 peak 228 spectrum 1 weight 0.10000E+01 volume 0.39943E-03 ppm1 7.344 ppm2 3.813 CV 1 OR { 228} (( segid "SAP " and resid 87 and name HA )) (( segid "SAP " and resid 89 and name HN )) ASSI { 231} (( segid "SAP " and resid 90 and name HN )) (( segid "SAP " and resid 89 and name HN )) 2.500 0.800 0.800 peak 231 spectrum 1 weight 0.10000E+01 volume 0.42746E-02 ppm1 7.346 ppm2 7.989 CV 1 OR { 231} (( segid "SAP " and resid 88 and name HN )) (( segid "SAP " and resid 89 and name HN )) ASSI { 250} (( segid "SAP " and resid 99 and name HB1 )) (( segid "SAP " and resid 73 and name HN )) 3.700 1.700 1.700 peak 250 spectrum 1 weight 0.10000E+01 volume 0.57112E-03 ppm1 8.975 ppm2 1.870 CV 1 OR { 250} (( segid "SAP " and resid 74 and name HB2 )) (( segid "SAP " and resid 73 and name HN )) ASSI { 260} (( segid "SAP " and resid 74 and name HG2 )) (( segid "SAP " and resid 74 and name HN )) 3.100 1.200 1.200 peak 260 spectrum 1 weight 0.10000E+01 volume 0.15172E-02 ppm1 7.654 ppm2 2.134 CV 1 OR { 260} (( segid "SAP " and resid 71 and name HB1 )) (( segid "SAP " and resid 74 and name HN )) ASSI { 271} (( segid "SAP " and resid 89 and name HG11)) (( segid "SAP " and resid 90 and name HN )) 3.800 1.800 1.800 peak 271 spectrum 1 weight 0.10000E+01 volume 0.79185E-03 ppm1 7.994 ppm2 1.538 CV 1 OR { 271} (( segid "SAP " and resid 88 and name HG2 )) (( segid "SAP " and resid 90 and name HN )) ASSI { 272} (( segid "SAP " and resid 90 and name HB2 )) (( segid "SAP " and resid 90 and name HN )) 2.300 0.700 0.700 peak 272 spectrum 1 weight 0.10000E+01 volume 0.77083E-02 ppm1 7.993 ppm2 1.771 CV 1 OR { 272} (( segid "SAP " and resid 89 and name HB )) (( segid "SAP " and resid 90 and name HN )) ASSI { 285} ( segid "SAP " and resid 93 and name HD1%) (( segid "SAP " and resid 93 and name HN )) 3.200 1.300 1.300 peak 285 spectrum 1 weight 0.10000E+01 volume 0.22039E-02 ppm1 7.964 ppm2 0.855 CV 1 OR { 285} ( segid "SAP " and resid 89 and name HG2%) (( segid "SAP " and resid 93 and name HN )) ASSI { 288} (( segid "SAP " and resid 93 and name HG11)) (( segid "SAP " and resid 93 and name HN )) 2.300 0.700 0.700 peak 288 spectrum 1 weight 0.10000E+01 volume 0.59564E-02 ppm1 7.964 ppm2 1.642 CV 1 OR { 288} (( segid "SAP " and resid 65 and name HB2 )) (( segid "SAP " and resid 65 and name HN )) ASSI { 290} (( segid "SAP " and resid 90 and name HA )) (( segid "SAP " and resid 91 and name HN )) 3.200 1.300 1.300 peak 290 spectrum 1 weight 0.10000E+01 volume 0.12088E-02 ppm1 7.962 ppm2 3.632 CV 1 OR { 290} (( segid "SAP " and resid 90 and name HA )) (( segid "SAP " and resid 93 and name HN )) ASSI { 291} (( segid "SAP " and resid 93 and name HA )) (( segid "SAP " and resid 93 and name HN )) 2.300 0.700 0.700 peak 291 spectrum 1 weight 0.10000E+01 volume 0.73930E-02 ppm1 7.963 ppm2 3.906 CV 1 OR { 291} (( segid "SAP " and resid 92 and name HB1 )) (( segid "SAP " and resid 93 and name HN )) ASSI { 300} (( segid "SAP " and resid 65 and name HA )) (( segid "SAP " and resid 65 and name HN )) 2.800 1.000 1.000 peak 300 spectrum 1 weight 0.10000E+01 volume 0.24701E-02 ppm1 7.947 ppm2 4.309 CV 1 OR { 300} (( segid "SAP " and resid 92 and name HA )) (( segid "SAP " and resid 93 and name HN )) ASSI { 301} (( segid "SAP " and resid 87 and name HG2 )) (( segid "SAP " and resid 88 and name HN )) 3.000 1.100 1.100 peak 301 spectrum 1 weight 0.10000E+01 volume 0.20848E-02 ppm1 7.984 ppm2 1.432 CV 1 OR { 301} (( segid "SAP " and resid 91 and name HG2 )) (( segid "SAP " and resid 91 and name HN )) ASSI { 302} (( segid "SAP " and resid 91 and name HB1 )) (( segid "SAP " and resid 91 and name HN )) 2.300 0.600 0.600 peak 302 spectrum 1 weight 0.10000E+01 volume 0.12789E-01 ppm1 7.985 ppm2 1.838 CV 1 OR { 302} (( segid "SAP " and resid 90 and name HB2 )) (( segid "SAP " and resid 91 and name HN )) ASSI { 307} (( segid "SAP " and resid 87 and name HA )) (( segid "SAP " and resid 88 and name HN )) 3.200 1.300 1.300 peak 307 spectrum 1 weight 0.10000E+01 volume 0.12824E-02 ppm1 7.998 ppm2 3.828 CV 1 OR { 307} (( segid "SAP " and resid 87 and name HA )) (( segid "SAP " and resid 91 and name HN )) ASSI { 308} (( segid "SAP " and resid 88 and name HA )) (( segid "SAP " and resid 88 and name HN )) 2.700 0.900 0.900 peak 308 spectrum 1 weight 0.10000E+01 volume 0.32796E-02 ppm1 7.999 ppm2 3.978 CV 1 OR { 308} (( segid "SAP " and resid 88 and name HA )) (( segid "SAP " and resid 91 and name HN )) ASSI { 320} ( segid "SAP " and resid 111 and name HD1%) (( segid "SAP " and resid 119 and name HN )) 4.100 2.100 1.900 peak 320 spectrum 1 weight 0.10000E+01 volume 0.36089E-03 ppm1 8.364 ppm2 0.652 CV 1 OR { 320} ( segid "SAP " and resid 100 and name HD1%) (( segid "SAP " and resid 119 and name HN )) ASSI { 331} ( segid "SAP " and resid 98 and name HG1%) (( segid "SAP " and resid 96 and name HN )) 3.600 1.700 1.700 peak 331 spectrum 1 weight 0.10000E+01 volume 0.34863E-03 ppm1 7.865 ppm2 0.886 CV 1 OR { 331} ( segid "SAP " and resid 98 and name HG2%) (( segid "SAP " and resid 96 and name HN )) OR { 331} ( segid "SAP " and resid 119 and name HG2%) (( segid "SAP " and resid 96 and name HN )) ASSI { 339} (( segid "SAP " and resid 96 and name HA )) (( segid "SAP " and resid 96 and name HN )) 2.600 0.900 0.900 peak 339 spectrum 1 weight 0.10000E+01 volume 0.36790E-02 ppm1 7.864 ppm2 4.261 CV 1 OR { 339} (( segid "SAP " and resid 95 and name HA )) (( segid "SAP " and resid 96 and name HN )) ASSI { 352} (( segid "SAP " and resid 118 and name HA )) (( segid "SAP " and resid 120 and name HN )) 4.300 2.300 1.700 peak 352 spectrum 1 weight 0.10000E+01 volume 0.30763E-03 ppm1 7.825 ppm2 3.929 CV 1 OR { 352} (( segid "SAP " and resid 121 and name HB1 )) (( segid "SAP " and resid 120 and name HN )) ASSI { 363} (( segid "SAP " and resid 103 and name HB2 )) (( segid "SAP " and resid 70 and name HN )) 3.900 1.900 1.900 peak 363 spectrum 1 weight 0.10000E+01 volume 0.29222E-03 ppm1 8.876 ppm2 2.062 CV 1 OR { 363} (( segid "SAP " and resid 101 and name HG1 )) (( segid "SAP " and resid 70 and name HN )) ASSI { 364} (( segid "SAP " and resid 70 and name HD2 )) (( segid "SAP " and resid 70 and name HN )) 4.900 3.000 1.100 peak 364 spectrum 1 weight 0.10000E+01 volume 0.15662E-03 ppm1 8.879 ppm2 2.810 CV 1 OR { 364} (( segid "SAP " and resid 76 and name HB2 )) (( segid "SAP " and resid 70 and name HN )) ASSI { 369} (( segid "SAP " and resid 97 and name HD2 )) (( segid "SAP " and resid 97 and name HN )) 3.400 1.500 1.500 peak 369 spectrum 1 weight 0.10000E+01 volume 0.56411E-03 ppm1 8.107 ppm2 1.647 CV 1 OR { 369} (( segid "SAP " and resid 97 and name HD1 )) (( segid "SAP " and resid 97 and name HN )) OR { 369} (( segid "SAP " and resid 96 and name HD1 )) (( segid "SAP " and resid 97 and name HN )) OR { 369} (( segid "SAP " and resid 96 and name HD2 )) (( segid "SAP " and resid 97 and name HN )) OR { 369} (( segid "SAP " and resid 93 and name HG11)) (( segid "SAP " and resid 97 and name HN )) ASSI { 370} (( segid "SAP " and resid 97 and name HB2 )) (( segid "SAP " and resid 97 and name HN )) 2.700 0.900 0.900 peak 370 spectrum 1 weight 0.10000E+01 volume 0.39593E-02 ppm1 8.106 ppm2 1.913 CV 1 OR { 370} (( segid "SAP " and resid 97 and name HB1 )) (( segid "SAP " and resid 97 and name HN )) OR { 370} (( segid "SAP " and resid 96 and name HB1 )) (( segid "SAP " and resid 97 and name HN )) ASSI { 372} (( segid "SAP " and resid 96 and name HA )) (( segid "SAP " and resid 97 and name HN )) 2.700 0.900 0.900 peak 372 spectrum 1 weight 0.10000E+01 volume 0.32340E-02 ppm1 8.105 ppm2 4.261 CV 1 OR { 372} (( segid "SAP " and resid 95 and name HA )) (( segid "SAP " and resid 97 and name HN )) ASSI { 381} ( segid "SAP " and resid 119 and name HD1%) (( segid "SAP " and resid 117 and name HN )) 4.300 2.400 1.700 peak 381 spectrum 1 weight 0.10000E+01 volume 0.23755E-03 ppm1 8.145 ppm2 0.787 CV 1 OR { 381} ( segid "SAP " and resid 118 and name HD2%) (( segid "SAP " and resid 117 and name HN )) OR { 381} ( segid "SAP " and resid 89 and name HD1%) (( segid "SAP " and resid 117 and name HN )) ASSI { 384} (( segid "SAP " and resid 118 and name HB1 )) (( segid "SAP " and resid 117 and name HN )) 4.600 2.600 1.400 peak 384 spectrum 1 weight 0.10000E+01 volume 0.31464E-03 ppm1 8.145 ppm2 1.612 CV 1 OR { 384} (( segid "SAP " and resid 116 and name HD2 )) (( segid "SAP " and resid 117 and name HN )) ASSI { 390} (( segid "SAP " and resid 114 and name HA )) (( segid "SAP " and resid 117 and name HN )) 3.800 1.900 1.900 peak 390 spectrum 1 weight 0.10000E+01 volume 0.40994E-03 ppm1 8.143 ppm2 4.076 CV 1 OR { 390} (( segid "SAP " and resid 115 and name HA )) (( segid "SAP " and resid 117 and name HN )) ASSI { 395} ( segid "SAP " and resid 89 and name HG2%) (( segid "SAP " and resid 92 and name HN )) 3.600 1.600 1.600 peak 395 spectrum 1 weight 0.10000E+01 volume 0.61666E-03 ppm1 7.768 ppm2 0.831 CV 1 OR { 395} ( segid "SAP " and resid 119 and name HG2%) (( segid "SAP " and resid 92 and name HN )) ASSI { 401} (( segid "SAP " and resid 91 and name HN )) (( segid "SAP " and resid 92 and name HN )) 2.300 0.700 0.700 peak 401 spectrum 1 weight 0.10000E+01 volume 0.70426E-02 ppm1 7.770 ppm2 7.969 CV 1 OR { 401} (( segid "SAP " and resid 93 and name HN )) (( segid "SAP " and resid 92 and name HN )) ASSI { 504} (( segid "SAP " and resid 80 and name HN )) (( segid "SAP " and resid 81 and name HN )) 4.500 2.500 1.500 peak 504 spectrum 1 weight 0.10000E+01 volume 0.24666E-03 ppm1 8.088 ppm2 8.488 CV 1 OR { 504} (( segid "SAP " and resid 111 and name HN )) (( segid "SAP " and resid 81 and name HN )) ASSI { 505} (( segid "SAP " and resid 82 and name HN )) (( segid "SAP " and resid 81 and name HN )) 4.200 2.200 1.800 peak 505 spectrum 1 weight 0.10000E+01 volume 0.35388E-03 ppm1 8.084 ppm2 8.698 CV 1 OR { 505} (( segid "SAP " and resid 83 and name HN )) (( segid "SAP " and resid 81 and name HN )) ASSI { 6} (( segid "SAP " and resid 110 and name HB1 )) (( segid "SAP " and resid 108 and name HE1 )) 4.400 2.500 1.600 peak 6 spectrum 1 weight 0.10000E+01 volume 0.41001E-03 ppm1 8.054 ppm2 3.217 CV 1 OR { 6} (( segid "SAP " and resid 108 and name HB1 )) (( segid "SAP " and resid 108 and name HE1 )) ASSI { 14} (( segid "SAP " and resid 110 and name HB1 )) ( segid "SAP " and resid 110 and name HD% ) 3.300 1.300 1.300 peak 14 spectrum 1 weight 0.10000E+01 volume 0.14063E-02 ppm1 7.050 ppm2 3.228 CV 1 OR { 14} (( segid "SAP " and resid 108 and name HB1 )) ( segid "SAP " and resid 110 and name HD% ) ASSI { 24} ( segid "SAP " and resid 111 and name HD1%) ( segid "SAP " and resid 85 and name HD% ) 2.700 0.900 0.900 peak 24 spectrum 1 weight 0.10000E+01 volume 0.30899E-02 ppm1 6.986 ppm2 0.683 CV 1 OR { 24} ( segid "SAP " and resid 102 and name HD1%) ( segid "SAP " and resid 85 and name HD% ) ASSI { 25} ( segid "SAP " and resid 109 and name HD2%) ( segid "SAP " and resid 85 and name HD% ) 2.400 0.700 0.700 peak 25 spectrum 1 weight 0.10000E+01 volume 0.64571E-02 ppm1 6.987 ppm2 0.862 CV 1 OR { 25} ( segid "SAP " and resid 109 and name HD1%) ( segid "SAP " and resid 85 and name HD% ) OR { 25} ( segid "SAP " and resid 89 and name HD1%) ( segid "SAP " and resid 85 and name HD% ) ASSI { 26} (( segid "SAP " and resid 102 and name HB1 )) ( segid "SAP " and resid 85 and name HD% ) 4.000 2.000 2.000 peak 26 spectrum 1 weight 0.10000E+01 volume 0.48824E-03 ppm1 6.985 ppm2 1.539 CV 1 OR { 26} (( segid "SAP " and resid 89 and name HG11)) ( segid "SAP " and resid 85 and name HD% ) OR { 26} (( segid "SAP " and resid 111 and name HG11)) ( segid "SAP " and resid 85 and name HD% ) ASSI { 28} (( segid "SAP " and resid 111 and name HB )) ( segid "SAP " and resid 85 and name HD% ) 3.700 1.700 1.700 peak 28 spectrum 1 weight 0.10000E+01 volume 0.62095E-03 ppm1 6.986 ppm2 2.059 CV 1 OR { 28} (( segid "SAP " and resid 90 and name HB1 )) ( segid "SAP " and resid 85 and name HD% ) ASSI { 35} (( segid "SAP " and resid 102 and name HB1 )) ( segid "SAP " and resid 85 and name HE% ) 4.100 2.100 1.900 peak 35 spectrum 1 weight 0.10000E+01 volume 0.39812E-03 ppm1 7.095 ppm2 1.532 CV 1 OR { 35} (( segid "SAP " and resid 89 and name HG11)) ( segid "SAP " and resid 85 and name HE% ) OR { 35} (( segid "SAP " and resid 69 and name HB1 )) ( segid "SAP " and resid 85 and name HE% ) ASSI { 44} ( segid "SAP " and resid 93 and name HD1%) (( segid "SAP " and resid 85 and name HZ )) 3.000 1.100 1.100 peak 44 spectrum 1 weight 0.10000E+01 volume 0.19410E-02 ppm1 7.163 ppm2 0.901 CV 1 OR { 44} (( segid "SAP " and resid 102 and name HB2 )) (( segid "SAP " and resid 85 and name HZ )) ASSI { 53} (( segid "SAP " and resid 118 and name HG )) (( segid "SAP " and resid 115 and name HD2 )) 4.100 2.100 1.900 peak 53 spectrum 1 weight 0.10000E+01 volume 0.66749E-03 ppm1 6.870 ppm2 1.479 CV 1 OR { 53} (( segid "SAP " and resid 100 and name HG11)) (( segid "SAP " and resid 115 and name HD2 )) OR { 53} (( segid "SAP " and resid 100 and name HB )) (( segid "SAP " and resid 115 and name HD2 )) ASSI { 54} (( segid "SAP " and resid 118 and name HB1 )) (( segid "SAP " and resid 115 and name HD2 )) 3.100 1.200 1.200 peak 54 spectrum 1 weight 0.10000E+01 volume 0.17133E-02 ppm1 6.868 ppm2 1.610 CV 1 OR { 54} (( segid "SAP " and resid 71 and name HB2 )) (( segid "SAP " and resid 115 and name HD2 )) ASSI { 63} (( segid "SAP " and resid 108 and name HB1 )) ( segid "SAP " and resid 110 and name HE% ) 3.600 1.600 1.600 peak 63 spectrum 1 weight 0.10000E+01 volume 0.11786E-02 ppm1 6.813 ppm2 3.231 CV 1 OR { 63} (( segid "SAP " and resid 110 and name HB1 )) ( segid "SAP " and resid 110 and name HE% ) ASSI { 67} (( segid "SAP " and resid 115 and name HA )) ( segid "SAP " and resid 114 and name HE% ) 4.000 2.000 2.000 peak 67 spectrum 1 weight 0.10000E+01 volume 0.43873E-03 ppm1 6.506 ppm2 4.076 CV 1 OR { 67} (( segid "SAP " and resid 114 and name HA )) ( segid "SAP " and resid 114 and name HE% )
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